smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1OC ZINC000745819053 1078649105 /nfs/dbraw/zinc/64/91/05/1078649105.db2.gz ILKFQXRYSPJVFO-MJGOQNOKSA-N 1 1 417.554 2.059 20 30 HEEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000769962768 1078654221 /nfs/dbraw/zinc/65/42/21/1078654221.db2.gz KQVPEHCDIVCEII-COYFKBPASA-N 1 1 415.515 2.191 20 30 HEEDMO C#C[C@@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000769962768 1078654223 /nfs/dbraw/zinc/65/42/23/1078654223.db2.gz KQVPEHCDIVCEII-COYFKBPASA-N 1 1 415.515 2.191 20 30 HEEDMO CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000746025298 1078741997 /nfs/dbraw/zinc/74/19/97/1078741997.db2.gz KNTNMWQPVZUWLM-FBILQTODSA-N 1 1 419.551 2.200 20 30 HEEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)C1 ZINC000746330895 1078861494 /nfs/dbraw/zinc/86/14/94/1078861494.db2.gz ABXBZNQIIXSXNK-XGNMISCSSA-N 1 1 412.490 2.262 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766351928 1078904726 /nfs/dbraw/zinc/90/47/26/1078904726.db2.gz WWPIIPSSGVKUSB-VQIMIIECSA-N 1 1 413.499 2.043 20 30 HEEDMO CC(C)C(=O)N1CCC[C@@H]1C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770858269 1079041890 /nfs/dbraw/zinc/04/18/90/1079041890.db2.gz LIBYFPNYXGSTSU-JOCHJYFZSA-N 1 1 412.530 2.451 20 30 HEEDMO CC(C)[C@@H](C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)N1CCCC1=O ZINC000770858185 1079042005 /nfs/dbraw/zinc/04/20/05/1079042005.db2.gz JSQFBAYDLSGSJX-QHCPKHFHSA-N 1 1 412.530 2.451 20 30 HEEDMO CC(C)CN1C[C@H](C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000770858744 1079042780 /nfs/dbraw/zinc/04/27/80/1079042780.db2.gz JJCXIANZLPLWEN-JOCHJYFZSA-N 1 1 412.530 2.308 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@H]1CCCN(C(=O)OCC)CC1)C2 ZINC001169684567 1079367411 /nfs/dbraw/zinc/36/74/11/1079367411.db2.gz FMLSLWLEAADOGQ-UGKGYDQZSA-N 1 1 406.571 2.181 20 30 HEEDMO C=CC[C@H](Nc1nc(C[N@H+]2CC[C@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(=O)OC ZINC001169836840 1079437157 /nfs/dbraw/zinc/43/71/57/1079437157.db2.gz PSRXRAVRUFUIIA-YJBOKZPZSA-N 1 1 418.538 2.410 20 30 HEEDMO COC(=O)[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000739994642 1076091046 /nfs/dbraw/zinc/09/10/46/1076091046.db2.gz MBUQAFOPVMTPBY-FGZHOGPDSA-N 1 1 420.513 2.259 20 30 HEEDMO CNC(=O)c1cccc(CCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])c1 ZINC000740943945 1076310267 /nfs/dbraw/zinc/31/02/67/1076310267.db2.gz XFXUBECVZHQIPN-UHFFFAOYSA-N 1 1 403.486 2.248 20 30 HEEDMO C#CCOc1ccc(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)cc1 ZINC000741544227 1076545046 /nfs/dbraw/zinc/54/50/46/1076545046.db2.gz AQWPIRBFTVZLRB-UHFFFAOYSA-N 1 1 407.470 2.347 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741709802 1076600383 /nfs/dbraw/zinc/60/03/83/1076600383.db2.gz XLWIGXNPCAEIBI-NUJGCVRESA-N 1 1 420.579 2.225 20 30 HEEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC[N@H+]1C ZINC000743115653 1076962621 /nfs/dbraw/zinc/96/26/21/1076962621.db2.gz YBCGNQDYJQIZFB-UBEVNIEFSA-N 1 1 421.567 2.446 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000743193911 1077003172 /nfs/dbraw/zinc/00/31/72/1077003172.db2.gz BLJGHHDNLQFTTI-UHFFFAOYSA-N 1 1 404.486 2.246 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000743193911 1077003177 /nfs/dbraw/zinc/00/31/77/1077003177.db2.gz BLJGHHDNLQFTTI-UHFFFAOYSA-N 1 1 404.486 2.246 20 30 HEEDMO C=CCc1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000065388977 1077377426 /nfs/dbraw/zinc/37/74/26/1077377426.db2.gz JMPZURBOARZNON-IBGZPJMESA-N 1 1 403.523 2.439 20 30 HEEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCc2ccccc21 ZINC000744446218 1077397636 /nfs/dbraw/zinc/39/76/36/1077397636.db2.gz SYFMNISQYGXUGF-INIZCTEOSA-N 1 1 408.502 2.262 20 30 HEEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948701 1079539626 /nfs/dbraw/zinc/53/96/26/1079539626.db2.gz FNCQSDBHINIPLB-WOJBJXKFSA-N 1 1 419.489 2.004 20 30 HEEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948701 1079539651 /nfs/dbraw/zinc/53/96/51/1079539651.db2.gz FNCQSDBHINIPLB-WOJBJXKFSA-N 1 1 419.489 2.004 20 30 HEEDMO Oc1c(Br)cc(Br)cc1/C=N/C[C@H]1C[NH+]2CCN1CC2 ZINC000746523366 1079671310 /nfs/dbraw/zinc/67/13/10/1079671310.db2.gz VPFMAEPZOPDPGS-SMWBLXLWSA-N 1 1 403.118 2.336 20 30 HEEDMO CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cc[nH]n1 ZINC000772342275 1079832804 /nfs/dbraw/zinc/83/28/04/1079832804.db2.gz MKOWKNBKFPTHFE-AWEZNQCLSA-N 1 1 424.461 2.065 20 30 HEEDMO Cc1[nH+]ccn1CCCOC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000767487771 1079904860 /nfs/dbraw/zinc/90/48/60/1079904860.db2.gz RWGLAKDRRBENNU-KRWDZBQOSA-N 1 1 418.519 2.278 20 30 HEEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000786003271 1080364310 /nfs/dbraw/zinc/36/43/10/1080364310.db2.gz OGSUPBIOXOXFLE-UHFFFAOYSA-N 1 1 403.479 2.305 20 30 HEEDMO N#CCOc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000769099034 1080909514 /nfs/dbraw/zinc/90/95/14/1080909514.db2.gz KDDJRPKJTKJGFH-RBBKRZOGSA-N 1 1 408.502 2.271 20 30 HEEDMO COc1cc(Br)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(OC)c1 ZINC000769398112 1081077335 /nfs/dbraw/zinc/07/73/35/1081077335.db2.gz WROZVAJEZFLIGJ-MSUUIHNZSA-N 1 1 410.268 2.082 20 30 HEEDMO N#CCCN(CCC#N)C(=O)COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787226370 1081078663 /nfs/dbraw/zinc/07/86/63/1081078663.db2.gz MZVNNKPLGJQWIG-UHFFFAOYSA-N 1 1 402.361 2.018 20 30 HEEDMO N#Cc1cnn2c1[nH]c(COC(=O)c1cnn(-c3cc[nH+]cc3)c1C(F)F)cc2=O ZINC000787228106 1081079107 /nfs/dbraw/zinc/07/91/07/1081079107.db2.gz SOIFLLQHDPMKJY-UHFFFAOYSA-N 1 1 411.328 2.182 20 30 HEEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C#N)c(C#N)nc3Cl)CC[C@@H]21 ZINC001164833558 720544458 /nfs/dbraw/zinc/54/44/58/720544458.db2.gz AAKBNPRYIYHGRZ-VKJFTORMSA-N 1 1 410.913 2.448 20 30 HEEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841550 720633030 /nfs/dbraw/zinc/63/30/30/720633030.db2.gz SVSJZTMXFSOUNA-WSTZPKSXSA-N 1 1 408.506 2.314 20 30 HEEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740298 720638115 /nfs/dbraw/zinc/63/81/15/720638115.db2.gz IKTMKGPHXIUMQE-GJZGRUSLSA-N 1 1 407.865 2.287 20 30 HEEDMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)cc1C#N ZINC001164751049 720844196 /nfs/dbraw/zinc/84/41/96/720844196.db2.gz XZFPZRUEHFMKNE-ZHALLVOQSA-N 1 1 411.485 2.072 20 30 HEEDMO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]c(C)ccc4CC#N)CCO3)C2)cs1 ZINC001164922304 721832768 /nfs/dbraw/zinc/83/27/68/721832768.db2.gz OBZBXLBHPQMAHL-NRFANRHFSA-N 1 1 413.547 2.329 20 30 HEEDMO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000766345321 1078879283 /nfs/dbraw/zinc/87/92/83/1078879283.db2.gz PZFXADOLRHVSHH-JOCHJYFZSA-N 1 1 419.529 2.344 20 30 HEEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](CC[S@](C)=O)CC3)sc2C1 ZINC000746470322 1079019448 /nfs/dbraw/zinc/01/94/48/1079019448.db2.gz VYWFVHCAZVOEGT-HBIPHATFSA-N 1 1 422.620 2.069 20 30 HEEDMO CC(C)[C@H](C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)N1CCCC1=O ZINC000770858183 1079041540 /nfs/dbraw/zinc/04/15/40/1079041540.db2.gz JSQFBAYDLSGSJX-HSZRJFAPSA-N 1 1 412.530 2.451 20 30 HEEDMO Cc1nnc2ccc(C(=O)OCCC#Cc3ccc(C[NH+]4CCOCC4)cc3)cn12 ZINC000770858924 1079042660 /nfs/dbraw/zinc/04/26/60/1079042660.db2.gz OMMFOFCBGUVEHW-UHFFFAOYSA-N 1 1 404.470 2.469 20 30 HEEDMO COC(=O)c1ccc(Br)c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC001168925418 1079069236 /nfs/dbraw/zinc/06/92/36/1079069236.db2.gz ONUFMSWGPWWMNV-UHFFFAOYSA-N 1 1 406.284 2.477 20 30 HEEDMO COC(=O)c1ccc(Br)c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC001168925418 1079069241 /nfs/dbraw/zinc/06/92/41/1079069241.db2.gz ONUFMSWGPWWMNV-UHFFFAOYSA-N 1 1 406.284 2.477 20 30 HEEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746297047 1079138369 /nfs/dbraw/zinc/13/83/69/1079138369.db2.gz QNVMDVFPKDVIBQ-FCQUAONHSA-N 1 1 422.485 2.444 20 30 HEEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746297047 1079138372 /nfs/dbraw/zinc/13/83/72/1079138372.db2.gz QNVMDVFPKDVIBQ-FCQUAONHSA-N 1 1 422.485 2.444 20 30 HEEDMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](CCC#N)Cc1ccccc1 ZINC001169197365 1079182861 /nfs/dbraw/zinc/18/28/61/1079182861.db2.gz VHUGCSWSUOWJCH-SFHVURJKSA-N 1 1 422.533 2.408 20 30 HEEDMO COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC(=NO)c1ccc(C)cn1 ZINC001169405877 1079252452 /nfs/dbraw/zinc/25/24/52/1079252452.db2.gz CTKPKAWGNDBMQO-OAHLLOKOSA-N 1 1 415.494 2.139 20 30 HEEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000737995797 1075948803 /nfs/dbraw/zinc/94/88/03/1075948803.db2.gz TVINXIXSUNHDCW-SFHVURJKSA-N 1 1 420.579 2.084 20 30 HEEDMO C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC000738025770 1075952750 /nfs/dbraw/zinc/95/27/50/1075952750.db2.gz ZLVZDLXYOSPWRB-XMMPIXPASA-N 1 1 417.513 2.491 20 30 HEEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000739126648 1076048547 /nfs/dbraw/zinc/04/85/47/1076048547.db2.gz NBCCIJMYLCEOEC-PGRDOPGGSA-N 1 1 420.513 2.365 20 30 HEEDMO FC(F)(F)Oc1ccc2c(c1)C(=NNC(=S)NCCC[NH+]1CCOCC1)CC2 ZINC000737422286 1076448922 /nfs/dbraw/zinc/44/89/22/1076448922.db2.gz ZUJAYCTVKIDDJH-UHFFFAOYSA-N 1 1 416.469 2.422 20 30 HEEDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)Oc3ccccc3C#N)CC2)cc1 ZINC000742920211 1076897814 /nfs/dbraw/zinc/89/78/14/1076897814.db2.gz GLEYEGAHJOIGBK-SFHVURJKSA-N 1 1 408.502 2.273 20 30 HEEDMO C#CCC[NH+]1CCC(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000743491755 1077060886 /nfs/dbraw/zinc/06/08/86/1077060886.db2.gz MFPBJALZSIUKGT-UHFFFAOYSA-N 1 1 413.337 2.070 20 30 HEEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)NCc1ccccc1F ZINC000744442722 1077396790 /nfs/dbraw/zinc/39/67/90/1077396790.db2.gz IZTNNXSZDZVLFG-OAHLLOKOSA-N 1 1 414.481 2.129 20 30 HEEDMO C=C(Cl)CNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772485436 1079901272 /nfs/dbraw/zinc/90/12/72/1079901272.db2.gz CUKMLTCPAFLAOE-QGZVFWFLSA-N 1 1 401.898 2.446 20 30 HEEDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2)CC1 ZINC000746549008 1079978255 /nfs/dbraw/zinc/97/82/55/1079978255.db2.gz QKPFYBBLTBSUIV-UHFFFAOYSA-N 1 1 406.486 2.087 20 30 HEEDMO CCCc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000785986278 1080346969 /nfs/dbraw/zinc/34/69/69/1080346969.db2.gz ABACVUKAXWJSFY-INIZCTEOSA-N 1 1 408.506 2.235 20 30 HEEDMO C[N@@H+](CCON=C(N)c1ccc(CN2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000786742950 1080789798 /nfs/dbraw/zinc/78/97/98/1080789798.db2.gz RVLDRNIKEGPJHE-UHFFFAOYSA-N 1 1 400.498 2.427 20 30 HEEDMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000769026575 1080889446 /nfs/dbraw/zinc/88/94/46/1080889446.db2.gz XJWYEQCATFQKSF-INIZCTEOSA-N 1 1 402.495 2.443 20 30 HEEDMO N#CCOc1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000769099038 1080909889 /nfs/dbraw/zinc/90/98/89/1080909889.db2.gz KDDJRPKJTKJGFH-UNMCSNQZSA-N 1 1 408.502 2.271 20 30 HEEDMO C=CCOc1ccc(/C=C\C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1OC ZINC000746619562 1080946357 /nfs/dbraw/zinc/94/63/57/1080946357.db2.gz RVIBFWNZPJQJFB-NBEHIINDSA-N 1 1 402.491 2.369 20 30 HEEDMO CN(CCC#N)c1ccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000769320826 1081041813 /nfs/dbraw/zinc/04/18/13/1081041813.db2.gz XZDKSUDDYUCPSL-UHFFFAOYSA-N 1 1 416.533 2.330 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@@H]2C1 ZINC001164855862 720839587 /nfs/dbraw/zinc/83/95/87/720839587.db2.gz VGCZWPWYSSGRFJ-RDTXWAMCSA-N 1 1 401.898 2.328 20 30 HEEDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)cc1C#N ZINC001164751047 720844420 /nfs/dbraw/zinc/84/44/20/720844420.db2.gz XZFPZRUEHFMKNE-YQVWRLOYSA-N 1 1 411.485 2.072 20 30 HEEDMO N#Cc1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755431 720871139 /nfs/dbraw/zinc/87/11/39/720871139.db2.gz WUQFOZCEHVPKFO-OFNKIYASSA-N 1 1 404.518 2.498 20 30 HEEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(Cl)c2C#N)CC3)CC1 ZINC001165001466 722239662 /nfs/dbraw/zinc/23/96/62/722239662.db2.gz FXRHMLBKDYRSNU-UHFFFAOYSA-N 1 1 418.332 2.407 20 30 HEEDMO N#CCOc1ccc(CN2CC[N@@H+](Cc3ccc(OCC#N)cc3)CC(O)C2)cc1 ZINC000769923816 1078660877 /nfs/dbraw/zinc/66/08/77/1078660877.db2.gz PUVWRDKYUHEOIA-UHFFFAOYSA-N 1 1 406.486 2.170 20 30 HEEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000745819830 1078663887 /nfs/dbraw/zinc/66/38/87/1078663887.db2.gz FARNZESWDROGCC-QUCCMNQESA-N 1 1 401.555 2.440 20 30 HEEDMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000745942109 1078697169 /nfs/dbraw/zinc/69/71/69/1078697169.db2.gz BWROBWDPXANILO-KRWDZBQOSA-N 1 1 410.584 2.425 20 30 HEEDMO C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)[C@H]1c1cccs1 ZINC000746300233 1078847082 /nfs/dbraw/zinc/84/70/82/1078847082.db2.gz MDAYOJGSJMBGSY-CMBUBREUSA-N 1 1 402.520 2.164 20 30 HEEDMO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000766345322 1078879259 /nfs/dbraw/zinc/87/92/59/1078879259.db2.gz PZFXADOLRHVSHH-QFIPXVFZSA-N 1 1 419.529 2.344 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCOc1ccccc1 ZINC001109735433 1079033620 /nfs/dbraw/zinc/03/36/20/1079033620.db2.gz GKQMQNIIWMDMBJ-ICGSVKGVSA-N 1 1 400.519 2.395 20 30 HEEDMO C[C@H](NC(=O)C1CCCC1)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770859565 1079042415 /nfs/dbraw/zinc/04/24/15/1079042415.db2.gz OKXKUJBKBAWJBB-IBGZPJMESA-N 1 1 412.530 2.499 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H]1CC[C@@H](C(=O)OCC)OC1)CC2 ZINC001169383929 1079254571 /nfs/dbraw/zinc/25/45/71/1079254571.db2.gz CMVSJXQWPLWIAW-UTKZUKDTSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H]1CC[C@@H](C(=O)OCC)OC1)CC2 ZINC001169383929 1079254578 /nfs/dbraw/zinc/25/45/78/1079254578.db2.gz CMVSJXQWPLWIAW-UTKZUKDTSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CCn1c(-c2cccnc2)nn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738209286 1075973894 /nfs/dbraw/zinc/97/38/94/1075973894.db2.gz QAXWZTNHLMFBHR-IBGZPJMESA-N 1 1 413.595 2.331 20 30 HEEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326310 1075981095 /nfs/dbraw/zinc/98/10/95/1075981095.db2.gz NDEDWVMRPWDOMR-QGZVFWFLSA-N 1 1 415.538 2.370 20 30 HEEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326310 1075981098 /nfs/dbraw/zinc/98/10/98/1075981098.db2.gz NDEDWVMRPWDOMR-QGZVFWFLSA-N 1 1 415.538 2.370 20 30 HEEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000738316351 1075988470 /nfs/dbraw/zinc/98/84/70/1075988470.db2.gz CSRFGHHDVMEBJB-RTBURBONSA-N 1 1 405.502 2.410 20 30 HEEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1OC ZINC000739025752 1076031398 /nfs/dbraw/zinc/03/13/98/1076031398.db2.gz WFAROOKSLNSHGT-AEFFLSMTSA-N 1 1 404.511 2.144 20 30 HEEDMO COC(=O)[C@@H](NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000739992057 1076091168 /nfs/dbraw/zinc/09/11/68/1076091168.db2.gz VIWFBKHOBALCPD-QFIPXVFZSA-N 1 1 406.486 2.465 20 30 HEEDMO C#CCOc1ccc(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000741545183 1076544960 /nfs/dbraw/zinc/54/49/60/1076544960.db2.gz QHXLJFSQZLLFPI-UHFFFAOYSA-N 1 1 421.497 2.289 20 30 HEEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC[N@H+]1C ZINC000743113310 1076961198 /nfs/dbraw/zinc/96/11/98/1076961198.db2.gz CJWHXSLZMXWBDW-YJRIJEEWSA-N 1 1 407.540 2.104 20 30 HEEDMO Cc1cc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)c(C)n1CC[NH+]1CCOCC1 ZINC000743452854 1077052025 /nfs/dbraw/zinc/05/20/25/1077052025.db2.gz ZVQHPFMIHRVPBY-SFHVURJKSA-N 1 1 418.567 2.441 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000743883673 1077170315 /nfs/dbraw/zinc/17/03/15/1077170315.db2.gz MGWAAEHZUPCKIT-INIZCTEOSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000743883673 1077170330 /nfs/dbraw/zinc/17/03/30/1077170330.db2.gz MGWAAEHZUPCKIT-INIZCTEOSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)CCN2C(=S)N=NC2c2ccc(OCC)cc2)CC1 ZINC000744371326 1077370370 /nfs/dbraw/zinc/37/03/70/1077370370.db2.gz SWBHIFTVFGOAIH-UHFFFAOYSA-N 1 1 413.547 2.190 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 ZINC000744371268 1077370528 /nfs/dbraw/zinc/37/05/28/1077370528.db2.gz PIZFGWSVFPBECG-UHFFFAOYSA-N 1 1 401.466 2.264 20 30 HEEDMO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000744993335 1077698131 /nfs/dbraw/zinc/69/81/31/1077698131.db2.gz JIOLWFRLOFUUGY-IAGOWNOFSA-N 1 1 417.506 2.497 20 30 HEEDMO COc1ccc(-c2nc(C=NNC(=S)NCCC[NH+]3CCOCC3)cs2)cc1 ZINC000767106550 1079662118 /nfs/dbraw/zinc/66/21/18/1079662118.db2.gz LDHFCANSLAWWSJ-UHFFFAOYSA-N 1 1 419.576 2.339 20 30 HEEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164690209 719751907 /nfs/dbraw/zinc/75/19/07/719751907.db2.gz VAQRGOSKXPWNSK-UHFFFAOYSA-N 1 1 408.462 2.195 20 30 HEEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740294 720639690 /nfs/dbraw/zinc/63/96/90/720639690.db2.gz IKTMKGPHXIUMQE-CABCVRRESA-N 1 1 407.865 2.287 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738434 720705715 /nfs/dbraw/zinc/70/57/15/720705715.db2.gz JPQHGKZKAWIDRX-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738434 720705725 /nfs/dbraw/zinc/70/57/25/720705725.db2.gz JPQHGKZKAWIDRX-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@@H]2C1 ZINC001164855855 720839458 /nfs/dbraw/zinc/83/94/58/720839458.db2.gz VGCZWPWYSSGRFJ-KDOFPFPSSA-N 1 1 401.898 2.328 20 30 HEEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c1-2 ZINC001164750995 720842264 /nfs/dbraw/zinc/84/22/64/720842264.db2.gz XOFWUSIILUPRGI-IMFGXOCKSA-N 1 1 402.506 2.405 20 30 HEEDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)cc1C#N ZINC001164751046 720844615 /nfs/dbraw/zinc/84/46/15/720844615.db2.gz XZFPZRUEHFMKNE-JENIJYKNSA-N 1 1 411.485 2.072 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@H]2C1 ZINC001164853575 720858351 /nfs/dbraw/zinc/85/83/51/720858351.db2.gz HPYMWKCBXUHWIX-BBRMVZONSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@@H]2C1 ZINC001164854886 720867585 /nfs/dbraw/zinc/86/75/85/720867585.db2.gz LJVNIGAYXJFZJI-CJNGLKHVSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164862998 720888300 /nfs/dbraw/zinc/88/83/00/720888300.db2.gz SEMLPRACZFRUEC-QRWLVFNGSA-N 1 1 411.462 2.188 20 30 HEEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(C#N)cc4C#N)C3)O2)CC1 ZINC001164890492 721409529 /nfs/dbraw/zinc/40/95/29/721409529.db2.gz SUHGZGDYNGXOTO-GHTZIAJQSA-N 1 1 414.941 2.244 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890970 721413360 /nfs/dbraw/zinc/41/33/60/721413360.db2.gz UVALXSICKHPLMG-DENIHFKCSA-N 1 1 401.555 2.115 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038684 721913579 /nfs/dbraw/zinc/91/35/79/721913579.db2.gz OCUAIYGLQDNYNO-SFHVURJKSA-N 1 1 401.583 2.398 20 30 HEEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(C#N)c(Cl)cc2Cl)CC3)CC1 ZINC001165002677 722239070 /nfs/dbraw/zinc/23/90/70/722239070.db2.gz XEUWZTLMLOWVDM-UHFFFAOYSA-N 1 1 418.332 2.407 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000770299142 1078822856 /nfs/dbraw/zinc/82/28/56/1078822856.db2.gz RHIAXSNHAUZYEW-DQLDELGASA-N 1 1 406.486 2.116 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770299142 1078822857 /nfs/dbraw/zinc/82/28/57/1078822857.db2.gz RHIAXSNHAUZYEW-DQLDELGASA-N 1 1 406.486 2.116 20 30 HEEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)C1 ZINC000746330899 1078861557 /nfs/dbraw/zinc/86/15/57/1078861557.db2.gz ABXBZNQIIXSXNK-YWBAYFEHSA-N 1 1 412.490 2.262 20 30 HEEDMO Cc1nn2cccnc2c1C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770735090 1078994985 /nfs/dbraw/zinc/99/49/85/1078994985.db2.gz ROUZTOZQERPTSY-UHFFFAOYSA-N 1 1 404.470 2.469 20 30 HEEDMO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619392 1079204749 /nfs/dbraw/zinc/20/47/49/1079204749.db2.gz LBPVMJRJMRNWKL-LJQANCHMSA-N 1 1 406.530 2.389 20 30 HEEDMO CC[N@@H+](CCC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1)CC1CC1 ZINC000771412914 1079311483 /nfs/dbraw/zinc/31/14/83/1079311483.db2.gz GTYQUFXPIURMBD-DQRAZIAOSA-N 1 1 402.539 2.264 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169761609 1079399259 /nfs/dbraw/zinc/39/92/59/1079399259.db2.gz DJLSVFORHNBCHI-RDGATRHJSA-N 1 1 424.589 2.474 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741276801 1076441841 /nfs/dbraw/zinc/44/18/41/1076441841.db2.gz AWBSUYSDNJDEPF-XMSQKQJNSA-N 1 1 420.513 2.195 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741276801 1076441847 /nfs/dbraw/zinc/44/18/47/1076441847.db2.gz AWBSUYSDNJDEPF-XMSQKQJNSA-N 1 1 420.513 2.195 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437054 1076527355 /nfs/dbraw/zinc/52/73/55/1076527355.db2.gz HWQQRMDPYTXMQE-GCJKJVERSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437054 1076527361 /nfs/dbraw/zinc/52/73/61/1076527361.db2.gz HWQQRMDPYTXMQE-GCJKJVERSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741439365 1076530161 /nfs/dbraw/zinc/53/01/61/1076530161.db2.gz RAMZQOKEBMDTTI-PGRDOPGGSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741439365 1076530165 /nfs/dbraw/zinc/53/01/65/1076530165.db2.gz RAMZQOKEBMDTTI-PGRDOPGGSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1ccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000741670547 1076575397 /nfs/dbraw/zinc/57/53/97/1076575397.db2.gz GLOUNHWVQMKVLK-UHFFFAOYSA-N 1 1 401.507 2.371 20 30 HEEDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1 ZINC000742920208 1076897806 /nfs/dbraw/zinc/89/78/06/1076897806.db2.gz GLEYEGAHJOIGBK-GOSISDBHSA-N 1 1 408.502 2.273 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000743915114 1077194346 /nfs/dbraw/zinc/19/43/46/1077194346.db2.gz ZTPDRAFYRGMMKQ-FUHWJXTLSA-N 1 1 419.497 2.029 20 30 HEEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000743919983 1077243467 /nfs/dbraw/zinc/24/34/67/1077243467.db2.gz QPDWIAGQTPJIME-NHCUHLMSSA-N 1 1 406.486 2.117 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000744431561 1077392283 /nfs/dbraw/zinc/39/22/83/1077392283.db2.gz MUEPFMXLQDJNEK-GOSISDBHSA-N 1 1 406.324 2.184 20 30 HEEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C1CCCCC1 ZINC000744443071 1077396488 /nfs/dbraw/zinc/39/64/88/1077396488.db2.gz QYJJTTCFBAAZAZ-INIZCTEOSA-N 1 1 402.539 2.464 20 30 HEEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001006307579 1077821098 /nfs/dbraw/zinc/82/10/98/1077821098.db2.gz AQOZPLXIZQVRLN-IYWGDAJJSA-N 1 1 403.567 2.338 20 30 HEEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000767388753 1079841417 /nfs/dbraw/zinc/84/14/17/1079841417.db2.gz WQEFUVSXVQJPDL-STQMWFEESA-N 1 1 406.284 2.364 20 30 HEEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000772469791 1079891998 /nfs/dbraw/zinc/89/19/98/1079891998.db2.gz GCOHEFOSLUEYTH-UHFFFAOYSA-N 1 1 418.457 2.490 20 30 HEEDMO CCOc1ccnc(N2CCC[N@@H+](Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)n1 ZINC000767795461 1080098655 /nfs/dbraw/zinc/09/86/55/1080098655.db2.gz BPNMBLPUPXQIQM-UHFFFAOYSA-N 1 1 418.505 2.484 20 30 HEEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000768214612 1080417035 /nfs/dbraw/zinc/41/70/35/1080417035.db2.gz GXDQDIWJGDBOIC-MRXNPFEDSA-N 1 1 409.515 2.365 20 30 HEEDMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000769026585 1080889462 /nfs/dbraw/zinc/88/94/62/1080889462.db2.gz XJWYEQCATFQKSF-MRXNPFEDSA-N 1 1 402.495 2.443 20 30 HEEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769113017 1080939545 /nfs/dbraw/zinc/93/95/45/1080939545.db2.gz GSRQUMJFOAAOJN-HNNXBMFYSA-N 1 1 419.478 2.039 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837188 720637751 /nfs/dbraw/zinc/63/77/51/720637751.db2.gz HNEAUCAKPFDWMH-CSODHUTKSA-N 1 1 404.522 2.357 20 30 HEEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740569 720669149 /nfs/dbraw/zinc/66/91/49/720669149.db2.gz QYGMAIMQMLMBSQ-STQMWFEESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740569 720669156 /nfs/dbraw/zinc/66/91/56/720669156.db2.gz QYGMAIMQMLMBSQ-STQMWFEESA-N 1 1 406.824 2.283 20 30 HEEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741105 720737362 /nfs/dbraw/zinc/73/73/62/720737362.db2.gz MCPRUWUURJKHHZ-DLBZAZTESA-N 1 1 421.505 2.070 20 30 HEEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164749933 720802006 /nfs/dbraw/zinc/80/20/06/720802006.db2.gz UVAULAUWNUMHRN-IRXDYDNUSA-N 1 1 417.429 2.147 20 30 HEEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c1-2 ZINC001164750996 720842429 /nfs/dbraw/zinc/84/24/29/720842429.db2.gz XOFWUSIILUPRGI-XKGZKEIXSA-N 1 1 402.506 2.405 20 30 HEEDMO N#Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2[nH]1 ZINC001164742460 720844367 /nfs/dbraw/zinc/84/43/67/720844367.db2.gz GPVFAAWDUVEJNT-HGHGUNKESA-N 1 1 402.506 2.405 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C#N ZINC001164764286 721101405 /nfs/dbraw/zinc/10/14/05/721101405.db2.gz HDQHSFLOKAKMAJ-ROUUACIJSA-N 1 1 408.506 2.130 20 30 HEEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C#N)c4ccccc4n3)CC2)C1 ZINC001164872936 721285168 /nfs/dbraw/zinc/28/51/68/721285168.db2.gz IPCBZBGFAFJKQM-UHFFFAOYSA-N 1 1 407.518 2.113 20 30 HEEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164894553 721392898 /nfs/dbraw/zinc/39/28/98/721392898.db2.gz YZOFHUOLPHAAEB-CVDCTZTESA-N 1 1 406.534 2.267 20 30 HEEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(C#N)cc4C#N)C3)O2)CC1 ZINC001164890502 721409251 /nfs/dbraw/zinc/40/92/51/721409251.db2.gz SUHGZGDYNGXOTO-NQIIRXRSSA-N 1 1 414.941 2.244 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806668 721555197 /nfs/dbraw/zinc/55/51/97/721555197.db2.gz QPLDFBCFHNWIQJ-RCCFBDPRSA-N 1 1 409.881 2.137 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806668 721555201 /nfs/dbraw/zinc/55/52/01/721555201.db2.gz QPLDFBCFHNWIQJ-RCCFBDPRSA-N 1 1 409.881 2.137 20 30 HEEDMO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000769962227 1078654803 /nfs/dbraw/zinc/65/48/03/1078654803.db2.gz CMPSCWIMYHBMCO-MRXNPFEDSA-N 1 1 407.536 2.152 20 30 HEEDMO CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000746025495 1078741883 /nfs/dbraw/zinc/74/18/83/1078741883.db2.gz OWTDCRFWSHGBIK-FBILQTODSA-N 1 1 419.551 2.200 20 30 HEEDMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1Cl ZINC000746343789 1078867638 /nfs/dbraw/zinc/86/76/38/1078867638.db2.gz GTVTWWHYGGCOCB-KRWDZBQOSA-N 1 1 402.886 2.198 20 30 HEEDMO N#CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cn1 ZINC000746404591 1078901612 /nfs/dbraw/zinc/90/16/12/1078901612.db2.gz YKNVFJHXXFZMPK-GOSISDBHSA-N 1 1 414.897 2.169 20 30 HEEDMO N#CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000746404591 1078901616 /nfs/dbraw/zinc/90/16/16/1078901616.db2.gz YKNVFJHXXFZMPK-GOSISDBHSA-N 1 1 414.897 2.169 20 30 HEEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000766400765 1078953712 /nfs/dbraw/zinc/95/37/12/1078953712.db2.gz PIEKGOLXNCJEGH-KRWDZBQOSA-N 1 1 415.515 2.290 20 30 HEEDMO N#CCn1cc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cn1 ZINC000746436120 1078956270 /nfs/dbraw/zinc/95/62/70/1078956270.db2.gz UNWXLWKOJIBGKD-UHFFFAOYSA-N 1 1 420.517 2.392 20 30 HEEDMO N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746453110 1078980588 /nfs/dbraw/zinc/98/05/88/1078980588.db2.gz MZAWLWUMMLNKGJ-RDTXWAMCSA-N 1 1 400.454 2.142 20 30 HEEDMO C[C@H](NC(=O)C(C)(C)C)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770859692 1079042798 /nfs/dbraw/zinc/04/27/98/1079042798.db2.gz PJPFFVJOZYVMNK-SFHVURJKSA-N 1 1 400.519 2.354 20 30 HEEDMO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](CCC#N)C1CCCC1 ZINC001169201277 1079183495 /nfs/dbraw/zinc/18/34/95/1079183495.db2.gz ILSXQRJWXXHENN-INIZCTEOSA-N 1 1 400.527 2.151 20 30 HEEDMO N#Cc1ccc(-c2ccn(C[NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)n2)cc1 ZINC000771623197 1079406174 /nfs/dbraw/zinc/40/61/74/1079406174.db2.gz FZRKLTOFRAUFOF-UHFFFAOYSA-N 1 1 402.458 2.417 20 30 HEEDMO N#Cc1ccccc1CN1C(=O)CN(CN2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC000738025616 1075952603 /nfs/dbraw/zinc/95/26/03/1075952603.db2.gz YCCRZMJYIVCJJH-UHFFFAOYSA-N 1 1 417.513 2.488 20 30 HEEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738328246 1075981943 /nfs/dbraw/zinc/98/19/43/1075981943.db2.gz CIASMVXFQCKIGF-KRWDZBQOSA-N 1 1 415.538 2.370 20 30 HEEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738328246 1075981947 /nfs/dbraw/zinc/98/19/47/1075981947.db2.gz CIASMVXFQCKIGF-KRWDZBQOSA-N 1 1 415.538 2.370 20 30 HEEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738328247 1075982110 /nfs/dbraw/zinc/98/21/10/1075982110.db2.gz CIASMVXFQCKIGF-QGZVFWFLSA-N 1 1 415.538 2.370 20 30 HEEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738328247 1075982113 /nfs/dbraw/zinc/98/21/13/1075982113.db2.gz CIASMVXFQCKIGF-QGZVFWFLSA-N 1 1 415.538 2.370 20 30 HEEDMO C[N@H+](CCC(=O)Nc1ccccc1C#N)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329180 1075982501 /nfs/dbraw/zinc/98/25/01/1075982501.db2.gz MFMFBXWOHCHENW-UHFFFAOYSA-N 1 1 415.538 2.371 20 30 HEEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740030955 1076097288 /nfs/dbraw/zinc/09/72/88/1076097288.db2.gz NVXIIRSZMBLYSB-UHFFFAOYSA-N 1 1 411.531 2.296 20 30 HEEDMO C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742545133 1076850548 /nfs/dbraw/zinc/85/05/48/1076850548.db2.gz VXJUCCBABYBGNV-IAGOWNOFSA-N 1 1 420.579 2.275 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000743882632 1077168258 /nfs/dbraw/zinc/16/82/58/1077168258.db2.gz BMSVHPVECXUMBV-INIZCTEOSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000743882632 1077168271 /nfs/dbraw/zinc/16/82/71/1077168271.db2.gz BMSVHPVECXUMBV-INIZCTEOSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000743913874 1077193126 /nfs/dbraw/zinc/19/31/26/1077193126.db2.gz MVXDPHWOFIBVPT-WMZOPIPTSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000744370896 1077370439 /nfs/dbraw/zinc/37/04/39/1077370439.db2.gz FFMBDVWDQWKKSZ-UHFFFAOYSA-N 1 1 411.955 2.152 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)CC1 ZINC000744371445 1077370758 /nfs/dbraw/zinc/37/07/58/1077370758.db2.gz ZSZDNLMBILBTKI-LJQANCHMSA-N 1 1 417.575 2.339 20 30 HEEDMO C=C(Cl)CNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772226530 1079749832 /nfs/dbraw/zinc/74/98/32/1079749832.db2.gz ADXTXKBRILAPLJ-KRWDZBQOSA-N 1 1 401.898 2.446 20 30 HEEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000767388750 1079841326 /nfs/dbraw/zinc/84/13/26/1079841326.db2.gz WQEFUVSXVQJPDL-BETUJISGSA-N 1 1 406.284 2.364 20 30 HEEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@H]2CCO)c1C#N ZINC000767602711 1080000834 /nfs/dbraw/zinc/00/08/34/1080000834.db2.gz ZCCJIYBUZWCOKS-QGZVFWFLSA-N 1 1 400.479 2.030 20 30 HEEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@H]2CCO)c1C#N ZINC000767602711 1080000849 /nfs/dbraw/zinc/00/08/49/1080000849.db2.gz ZCCJIYBUZWCOKS-QGZVFWFLSA-N 1 1 400.479 2.030 20 30 HEEDMO CCCc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000785986287 1080347675 /nfs/dbraw/zinc/34/76/75/1080347675.db2.gz ABACVUKAXWJSFY-MRXNPFEDSA-N 1 1 408.506 2.235 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164743793 720617576 /nfs/dbraw/zinc/61/75/76/720617576.db2.gz QSWSUVQNVTZGTE-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164743793 720617589 /nfs/dbraw/zinc/61/75/89/720617589.db2.gz QSWSUVQNVTZGTE-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl ZINC001164738208 720702253 /nfs/dbraw/zinc/70/22/53/720702253.db2.gz ISOUUIVZGJQWSQ-LSDHHAIUSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl ZINC001164738208 720702264 /nfs/dbraw/zinc/70/22/64/720702264.db2.gz ISOUUIVZGJQWSQ-LSDHHAIUSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2[nH]1 ZINC001164742462 720844480 /nfs/dbraw/zinc/84/44/80/720844480.db2.gz GPVFAAWDUVEJNT-YRISNDGFSA-N 1 1 402.506 2.405 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCC2 ZINC001164739539 720847381 /nfs/dbraw/zinc/84/73/81/720847381.db2.gz AZVCASGNYNKSAB-KCZVDYSFSA-N 1 1 403.534 2.413 20 30 HEEDMO N#Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cn1 ZINC001164748433 720876487 /nfs/dbraw/zinc/87/64/87/720876487.db2.gz DTDNHBNMQDYTGY-OFNKIYASSA-N 1 1 404.518 2.498 20 30 HEEDMO N#Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cn1 ZINC001164748429 720876680 /nfs/dbraw/zinc/87/66/80/720876680.db2.gz DTDNHBNMQDYTGY-NFBKMPQASA-N 1 1 404.518 2.498 20 30 HEEDMO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000745891336 1078679303 /nfs/dbraw/zinc/67/93/03/1078679303.db2.gz ONLHUSRBOIBERR-UHFFFAOYSA-N 1 1 402.392 2.494 20 30 HEEDMO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000770808847 1079029965 /nfs/dbraw/zinc/02/99/65/1079029965.db2.gz XUFPZUYVUJKJCE-CQSZACIVSA-N 1 1 416.337 2.500 20 30 HEEDMO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000771122792 1079142509 /nfs/dbraw/zinc/14/25/09/1079142509.db2.gz OGRFGKSOZPONQP-UZYVYHOESA-N 1 1 407.540 2.057 20 30 HEEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000771122792 1079142514 /nfs/dbraw/zinc/14/25/14/1079142514.db2.gz OGRFGKSOZPONQP-UZYVYHOESA-N 1 1 407.540 2.057 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000740740966 1076230008 /nfs/dbraw/zinc/23/00/08/1076230008.db2.gz HUUDDWQDXHJHJW-QFIPXVFZSA-N 1 1 405.498 2.356 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000740740966 1076230014 /nfs/dbraw/zinc/23/00/14/1076230014.db2.gz HUUDDWQDXHJHJW-QFIPXVFZSA-N 1 1 405.498 2.356 20 30 HEEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742293150 1076819465 /nfs/dbraw/zinc/81/94/65/1076819465.db2.gz IWBZNZGSGRIOOM-HXUWFJFHSA-N 1 1 421.563 2.357 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000742911331 1076891146 /nfs/dbraw/zinc/89/11/46/1076891146.db2.gz OOFNSYICCOTKDW-WMZOPIPTSA-N 1 1 420.579 2.084 20 30 HEEDMO CN1CC[NH+](CCOc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)CC1 ZINC000742898478 1076894237 /nfs/dbraw/zinc/89/42/37/1076894237.db2.gz WMRAYPRXCFRUEI-UHFFFAOYSA-N 1 1 408.502 2.396 20 30 HEEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC[N@H+]1C ZINC000743109221 1076957635 /nfs/dbraw/zinc/95/76/35/1076957635.db2.gz RLZTZEOHHAGRJW-RIMSMWBASA-N 1 1 421.567 2.446 20 30 HEEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000743359380 1077032012 /nfs/dbraw/zinc/03/20/12/1077032012.db2.gz TYVGSNNSECTLPG-IHIJCHFRSA-N 1 1 421.567 2.351 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000743377347 1077045074 /nfs/dbraw/zinc/04/50/74/1077045074.db2.gz LNHCTGLSPRJAIK-JOCHJYFZSA-N 1 1 417.513 2.486 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000743885577 1077175478 /nfs/dbraw/zinc/17/54/78/1077175478.db2.gz WYEDHOLSPYRCLR-UHFFFAOYSA-N 1 1 409.461 2.341 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 ZINC000744370802 1077370494 /nfs/dbraw/zinc/37/04/94/1077370494.db2.gz BFRPNEPIGZSYKV-UHFFFAOYSA-N 1 1 415.493 2.306 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000744371412 1077370846 /nfs/dbraw/zinc/37/08/46/1077370846.db2.gz YZEFAECVSHHFBH-UHFFFAOYSA-N 1 1 423.538 2.219 20 30 HEEDMO NC(=[NH+]O[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000744442455 1077396905 /nfs/dbraw/zinc/39/69/05/1077396905.db2.gz GEBKQSOKMPINPB-OAQYLSRUSA-N 1 1 408.502 2.480 20 30 HEEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000744727686 1077558368 /nfs/dbraw/zinc/55/83/68/1077558368.db2.gz FSTHLZALXXUERJ-UHFFFAOYSA-N 1 1 412.943 2.022 20 30 HEEDMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ncc(C#N)s2)C[C@H]1C(=O)N1CCSC1 ZINC001170032388 1079516248 /nfs/dbraw/zinc/51/62/48/1079516248.db2.gz USGJWXSZXUTIHJ-JSGCOSHPSA-N 1 1 423.564 2.015 20 30 HEEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948698 1079539510 /nfs/dbraw/zinc/53/95/10/1079539510.db2.gz FNCQSDBHINIPLB-PMACEKPBSA-N 1 1 419.489 2.004 20 30 HEEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948698 1079539548 /nfs/dbraw/zinc/53/95/48/1079539548.db2.gz FNCQSDBHINIPLB-PMACEKPBSA-N 1 1 419.489 2.004 20 30 HEEDMO Fc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(Br)c1 ZINC000767752367 1080067536 /nfs/dbraw/zinc/06/75/36/1080067536.db2.gz CHGUWKXSNXKDHB-UHFFFAOYSA-N 1 1 403.321 2.109 20 30 HEEDMO C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)c1C ZINC000785652206 1080105341 /nfs/dbraw/zinc/10/53/41/1080105341.db2.gz IBPJXSPRUHVUMU-OALUTQOASA-N 1 1 415.534 2.350 20 30 HEEDMO S=C(NCCCN1CCOCC1)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768350891 1080507756 /nfs/dbraw/zinc/50/77/56/1080507756.db2.gz BDMSENYWBWESRW-OYRHEFFESA-N 1 1 415.607 2.356 20 30 HEEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769306378 1081038175 /nfs/dbraw/zinc/03/81/75/1081038175.db2.gz SRRXEVHCCLRYQH-LJQANCHMSA-N 1 1 400.523 2.270 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)CC1 ZINC000744371443 1081049543 /nfs/dbraw/zinc/04/95/43/1081049543.db2.gz ZSZDNLMBILBTKI-IBGZPJMESA-N 1 1 417.575 2.339 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740335 720629373 /nfs/dbraw/zinc/62/93/73/720629373.db2.gz IOHQMMCAVBAFGU-OLZOCXBDSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740335 720629380 /nfs/dbraw/zinc/62/93/80/720629380.db2.gz IOHQMMCAVBAFGU-OLZOCXBDSA-N 1 1 406.824 2.283 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837182 720637782 /nfs/dbraw/zinc/63/77/82/720637782.db2.gz HNEAUCAKPFDWMH-CBGDNZLLSA-N 1 1 404.522 2.357 20 30 HEEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741107 720736462 /nfs/dbraw/zinc/73/64/62/720736462.db2.gz MCPRUWUURJKHHZ-IAGOWNOFSA-N 1 1 421.505 2.070 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCC2 ZINC001164739541 720846999 /nfs/dbraw/zinc/84/69/99/720846999.db2.gz AZVCASGNYNKSAB-TUNNFDKTSA-N 1 1 403.534 2.413 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCC2 ZINC001164739540 720847239 /nfs/dbraw/zinc/84/72/39/720847239.db2.gz AZVCASGNYNKSAB-RZUBCFFCSA-N 1 1 403.534 2.413 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@@H]2C1 ZINC001164854890 720867801 /nfs/dbraw/zinc/86/78/01/720867801.db2.gz LJVNIGAYXJFZJI-CZUORRHYSA-N 1 1 400.857 2.325 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806667 721555023 /nfs/dbraw/zinc/55/50/23/721555023.db2.gz QPLDFBCFHNWIQJ-KZNAEPCWSA-N 1 1 409.881 2.137 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806667 721555027 /nfs/dbraw/zinc/55/50/27/721555027.db2.gz QPLDFBCFHNWIQJ-KZNAEPCWSA-N 1 1 409.881 2.137 20 30 HEEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C#C[Si](C)(C)C)ccn2)CC3)CC1 ZINC001165002194 722239565 /nfs/dbraw/zinc/23/95/65/722239565.db2.gz QSNOIHISOAFYEO-UHFFFAOYSA-N 1 1 420.637 2.458 20 30 HEEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000769656371 1078491026 /nfs/dbraw/zinc/49/10/26/1078491026.db2.gz DSGSJFLGSIAAPJ-QGZVFWFLSA-N 1 1 420.579 2.275 20 30 HEEDMO C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000766332496 1078550122 /nfs/dbraw/zinc/55/01/22/1078550122.db2.gz CHZYEIABJXFUJE-IBHIWXBSSA-N 1 1 413.518 2.038 20 30 HEEDMO C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000766332503 1078551284 /nfs/dbraw/zinc/55/12/84/1078551284.db2.gz CHZYEIABJXFUJE-RQMBKDMJSA-N 1 1 413.518 2.038 20 30 HEEDMO N#Cc1ccc(N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)c(Cl)c1 ZINC000769922088 1078636596 /nfs/dbraw/zinc/63/65/96/1078636596.db2.gz WDMFKEHZMCNSSL-UHFFFAOYSA-N 1 1 404.923 2.224 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000746277819 1078842078 /nfs/dbraw/zinc/84/20/78/1078842078.db2.gz TTYBJKJYCWTLDA-MRXNPFEDSA-N 1 1 411.543 2.388 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000746339578 1078866137 /nfs/dbraw/zinc/86/61/37/1078866137.db2.gz PDJGTWBUZKMHTL-AEFFLSMTSA-N 1 1 420.579 2.132 20 30 HEEDMO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619391 1079204686 /nfs/dbraw/zinc/20/46/86/1079204686.db2.gz LBPVMJRJMRNWKL-IBGZPJMESA-N 1 1 406.530 2.389 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169761607 1079399157 /nfs/dbraw/zinc/39/91/57/1079399157.db2.gz DJLSVFORHNBCHI-RCZVLFRGSA-N 1 1 424.589 2.474 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628013 1079411583 /nfs/dbraw/zinc/41/15/83/1079411583.db2.gz DKVRDEYBJULVIO-VGOFRKELSA-N 1 1 412.490 2.194 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628013 1079411609 /nfs/dbraw/zinc/41/16/09/1079411609.db2.gz DKVRDEYBJULVIO-VGOFRKELSA-N 1 1 412.490 2.194 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000771631326 1079439786 /nfs/dbraw/zinc/43/97/86/1079439786.db2.gz OMECKJHOMFSIOK-GOSISDBHSA-N 1 1 412.490 2.191 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000771631326 1079439791 /nfs/dbraw/zinc/43/97/91/1079439791.db2.gz OMECKJHOMFSIOK-GOSISDBHSA-N 1 1 412.490 2.191 20 30 HEEDMO N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC001169913442 1079476508 /nfs/dbraw/zinc/47/65/08/1079476508.db2.gz UKSGIBSRRDEVSM-SFHVURJKSA-N 1 1 424.526 2.085 20 30 HEEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738325491 1075990519 /nfs/dbraw/zinc/99/05/19/1075990519.db2.gz DUFXDWGKEAHCII-UHFFFAOYSA-N 1 1 421.567 2.433 20 30 HEEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1OC ZINC000739025754 1076031772 /nfs/dbraw/zinc/03/17/72/1076031772.db2.gz WFAROOKSLNSHGT-FUHWJXTLSA-N 1 1 404.511 2.144 20 30 HEEDMO COC(=O)[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000739994640 1076091019 /nfs/dbraw/zinc/09/10/19/1076091019.db2.gz MBUQAFOPVMTPBY-FCHUYYIVSA-N 1 1 420.513 2.259 20 30 HEEDMO C#CCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000741539459 1076542757 /nfs/dbraw/zinc/54/27/57/1076542757.db2.gz LRNRETJNRQKPTF-HSZRJFAPSA-N 1 1 417.509 2.434 20 30 HEEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741701203 1076597121 /nfs/dbraw/zinc/59/71/21/1076597121.db2.gz AXRVLLGIKGKKEE-NUJGCVRESA-N 1 1 420.579 2.081 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000743882854 1077172305 /nfs/dbraw/zinc/17/23/05/1077172305.db2.gz DNIVIPXBQISYCZ-CQSZACIVSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000743882854 1077172318 /nfs/dbraw/zinc/17/23/18/1077172318.db2.gz DNIVIPXBQISYCZ-CQSZACIVSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CC[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000744213806 1077342330 /nfs/dbraw/zinc/34/23/30/1077342330.db2.gz GFBXZIKCJDYNEU-HSZRJFAPSA-N 1 1 410.518 2.229 20 30 HEEDMO C#CC[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C1CCCCC1 ZINC000744213806 1077342339 /nfs/dbraw/zinc/34/23/39/1077342339.db2.gz GFBXZIKCJDYNEU-HSZRJFAPSA-N 1 1 410.518 2.229 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000744366255 1077369906 /nfs/dbraw/zinc/36/99/06/1077369906.db2.gz JVATUMWPIVRJIK-SFHVURJKSA-N 1 1 403.910 2.121 20 30 HEEDMO Cc1ccccc1CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000744443110 1077396304 /nfs/dbraw/zinc/39/63/04/1077396304.db2.gz RNBOKBAXPNTLAF-GOSISDBHSA-N 1 1 424.545 2.340 20 30 HEEDMO COCCCn1c(=O)c2ccccc2nc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000744787994 1077584187 /nfs/dbraw/zinc/58/41/87/1077584187.db2.gz SESABEWFUHKILW-UHFFFAOYSA-N 1 1 409.490 2.308 20 30 HEEDMO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000767319145 1079816639 /nfs/dbraw/zinc/81/66/39/1079816639.db2.gz DPVHQYBGMSDAMG-AFCDSYGPSA-N 1 1 407.474 2.124 20 30 HEEDMO COC(=O)/C=C\c1ccc(OCC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000767319145 1079816645 /nfs/dbraw/zinc/81/66/45/1079816645.db2.gz DPVHQYBGMSDAMG-AFCDSYGPSA-N 1 1 407.474 2.124 20 30 HEEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000746622258 1080925021 /nfs/dbraw/zinc/92/50/21/1080925021.db2.gz ABMYGHWQJMVFEW-GOSISDBHSA-N 1 1 413.543 2.239 20 30 HEEDMO C#CCOc1ccccc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000769426452 1081070085 /nfs/dbraw/zinc/07/00/85/1081070085.db2.gz BGMOAYXRXUEPAF-UHFFFAOYSA-N 1 1 404.454 2.487 20 30 HEEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741109 720736208 /nfs/dbraw/zinc/73/62/08/720736208.db2.gz MCPRUWUURJKHHZ-SJORKVTESA-N 1 1 421.505 2.070 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@H]2C1 ZINC001164854893 720867893 /nfs/dbraw/zinc/86/78/93/720867893.db2.gz LJVNIGAYXJFZJI-XJKSGUPXSA-N 1 1 400.857 2.325 20 30 HEEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764546 721097004 /nfs/dbraw/zinc/09/70/04/721097004.db2.gz ICYNSFSKAMFFLS-KGLIPLIRSA-N 1 1 421.958 2.352 20 30 HEEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164764542 721097670 /nfs/dbraw/zinc/09/76/70/721097670.db2.gz ICYNSFSKAMFFLS-KBPBESRZSA-N 1 1 421.958 2.352 20 30 HEEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164894550 721392720 /nfs/dbraw/zinc/39/27/20/721392720.db2.gz YZOFHUOLPHAAEB-AUSIDOKSSA-N 1 1 406.534 2.267 20 30 HEEDMO C#CCNC(=O)CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000769734822 1078553226 /nfs/dbraw/zinc/55/32/26/1078553226.db2.gz ZTLWNGIZVFQACC-UHFFFAOYSA-N 1 1 400.526 2.253 20 30 HEEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2)C[C@H](C)O1 ZINC000746286252 1078836306 /nfs/dbraw/zinc/83/63/06/1078836306.db2.gz SIJGICRSLYFZAE-MVFCNCFGSA-N 1 1 412.490 2.151 20 30 HEEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2)C[C@H](C)O1 ZINC000746286252 1078836309 /nfs/dbraw/zinc/83/63/09/1078836309.db2.gz SIJGICRSLYFZAE-MVFCNCFGSA-N 1 1 412.490 2.151 20 30 HEEDMO C=CCn1c(-c2cnccn2)nn(CN2CC[N@@H+](CCOC)[C@H](CCC)C2)c1=S ZINC000766373240 1078941009 /nfs/dbraw/zinc/94/10/09/1078941009.db2.gz FMIFGLPSYFMIPZ-QGZVFWFLSA-N 1 1 417.583 2.447 20 30 HEEDMO C[C@@H](NC(=O)C1CCCC1)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770859569 1079042326 /nfs/dbraw/zinc/04/23/26/1079042326.db2.gz OKXKUJBKBAWJBB-LJQANCHMSA-N 1 1 412.530 2.499 20 30 HEEDMO Cn1ncc2cc(C(=O)OCCC#Cc3ccc(C[NH+]4CCOCC4)cc3)cnc21 ZINC000770859098 1079042365 /nfs/dbraw/zinc/04/23/65/1079042365.db2.gz RGRCFXDEDQUVMU-UHFFFAOYSA-N 1 1 404.470 2.399 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000770860721 1079043518 /nfs/dbraw/zinc/04/35/18/1079043518.db2.gz SPIYKJIVYWJYIF-UHFFFAOYSA-N 1 1 420.465 2.448 20 30 HEEDMO COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ncc(Br)nc2C#N)c2ccccc12 ZINC001169112473 1079159716 /nfs/dbraw/zinc/15/97/16/1079159716.db2.gz ALXCMWHAKHWHOZ-SFHVURJKSA-N 1 1 414.263 2.488 20 30 HEEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1OC ZINC000739025759 1076031822 /nfs/dbraw/zinc/03/18/22/1076031822.db2.gz WFAROOKSLNSHGT-WMZOPIPTSA-N 1 1 404.511 2.144 20 30 HEEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000739126645 1076048527 /nfs/dbraw/zinc/04/85/27/1076048527.db2.gz NBCCIJMYLCEOEC-AVRDEDQJSA-N 1 1 420.513 2.365 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc2F)CC1 ZINC000741344358 1076488615 /nfs/dbraw/zinc/48/86/15/1076488615.db2.gz GUFQOGJPZSQSCJ-NRFANRHFSA-N 1 1 404.486 2.179 20 30 HEEDMO C#CCOc1ccc(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)cc1 ZINC000741557612 1076543389 /nfs/dbraw/zinc/54/33/89/1076543389.db2.gz UWEHPHLZVLGENX-UHFFFAOYSA-N 1 1 420.513 2.161 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741709799 1076600484 /nfs/dbraw/zinc/60/04/84/1076600484.db2.gz XLWIGXNPCAEIBI-JZXOWHBKSA-N 1 1 420.579 2.225 20 30 HEEDMO C[C@@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742542960 1076850227 /nfs/dbraw/zinc/85/02/27/1076850227.db2.gz BICFWFHOQNMPDL-SJORKVTESA-N 1 1 420.579 2.132 20 30 HEEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742604767 1076855657 /nfs/dbraw/zinc/85/56/57/1076855657.db2.gz MCWRNITVYNCITP-IAGOWNOFSA-N 1 1 420.579 2.275 20 30 HEEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC[N@H+]1C ZINC000743109223 1076958027 /nfs/dbraw/zinc/95/80/27/1076958027.db2.gz RLZTZEOHHAGRJW-UBEVNIEFSA-N 1 1 421.567 2.446 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000743378087 1077044751 /nfs/dbraw/zinc/04/47/51/1077044751.db2.gz VSFYHVIVCUEDFW-URXFXBBRSA-N 1 1 417.513 2.489 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000744370780 1077370423 /nfs/dbraw/zinc/37/04/23/1077370423.db2.gz AZKAVXDPTJOKKD-RTBURBONSA-N 1 1 417.575 2.134 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 ZINC000744364677 1077372079 /nfs/dbraw/zinc/37/20/79/1077372079.db2.gz YZQLRBSUIOLMIG-JOCHJYFZSA-N 1 1 403.482 2.410 20 30 HEEDMO C#CC[N@@H+](CC#CC)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000744410324 1077383639 /nfs/dbraw/zinc/38/36/39/1077383639.db2.gz BMAHMELPBYKAFY-UHFFFAOYSA-N 1 1 421.950 2.412 20 30 HEEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C1CCCCC1 ZINC000744443073 1077396268 /nfs/dbraw/zinc/39/62/68/1077396268.db2.gz QYJJTTCFBAAZAZ-MRXNPFEDSA-N 1 1 402.539 2.464 20 30 HEEDMO C#CCCCCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772241941 1079782560 /nfs/dbraw/zinc/78/25/60/1079782560.db2.gz JEIJHLQSKFJINZ-FQEVSTJZSA-N 1 1 407.518 2.497 20 30 HEEDMO Cn1nc(C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC(F)F ZINC000768001221 1080269174 /nfs/dbraw/zinc/26/91/74/1080269174.db2.gz QWTMRZYQBCPMEH-UHFFFAOYSA-N 1 1 419.428 2.452 20 30 HEEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(C)C)C2 ZINC001109304329 1080587774 /nfs/dbraw/zinc/58/77/74/1080587774.db2.gz WEJSFGDICNRQCL-PTXJCGOLSA-N 1 1 403.567 2.360 20 30 HEEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(C)C)C2 ZINC001109304329 1080587781 /nfs/dbraw/zinc/58/77/81/1080587781.db2.gz WEJSFGDICNRQCL-PTXJCGOLSA-N 1 1 403.567 2.360 20 30 HEEDMO N#CCOc1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000769099024 1080909352 /nfs/dbraw/zinc/90/93/52/1080909352.db2.gz KDDJRPKJTKJGFH-IRLDBZIGSA-N 1 1 408.502 2.271 20 30 HEEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000769317614 1081040638 /nfs/dbraw/zinc/04/06/38/1081040638.db2.gz UJKPGTXICHMVLT-GOSISDBHSA-N 1 1 403.490 2.271 20 30 HEEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(C#N)c(C#N)n1)CC2 ZINC001164710800 720146648 /nfs/dbraw/zinc/14/66/48/720146648.db2.gz CUNGQCYJUNGSOR-GOSISDBHSA-N 1 1 403.490 2.122 20 30 HEEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737096 720708039 /nfs/dbraw/zinc/70/80/39/720708039.db2.gz DEMCWFWGURMQLQ-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737096 720708043 /nfs/dbraw/zinc/70/80/43/720708043.db2.gz DEMCWFWGURMQLQ-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164745767 720833381 /nfs/dbraw/zinc/83/33/81/720833381.db2.gz NGZFQTFHBOYOFN-IMFGXOCKSA-N 1 1 402.506 2.405 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@@H]2C1 ZINC001164857152 720847813 /nfs/dbraw/zinc/84/78/13/720847813.db2.gz XURBXOLOXREXRP-CJNGLKHVSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@@H]2C1 ZINC001164852699 720853642 /nfs/dbraw/zinc/85/36/42/720853642.db2.gz FMRVAUVLRIUWLX-CJNGLKHVSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC[C@H]2C1 ZINC001164854821 720858327 /nfs/dbraw/zinc/85/83/27/720858327.db2.gz KXENGLUTYWSMCY-LSDHHAIUSA-N 1 1 400.857 2.325 20 30 HEEDMO COc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164907440 721694018 /nfs/dbraw/zinc/69/40/18/721694018.db2.gz SRSWPBGANSDDAP-IBGZPJMESA-N 1 1 400.433 2.490 20 30 HEEDMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000745942110 1078697219 /nfs/dbraw/zinc/69/72/19/1078697219.db2.gz BWROBWDPXANILO-QGZVFWFLSA-N 1 1 410.584 2.425 20 30 HEEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)C1 ZINC000746330897 1078861551 /nfs/dbraw/zinc/86/15/51/1078861551.db2.gz ABXBZNQIIXSXNK-YIYXVTKBSA-N 1 1 412.490 2.262 20 30 HEEDMO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1Cl ZINC000746343794 1078867680 /nfs/dbraw/zinc/86/76/80/1078867680.db2.gz GTVTWWHYGGCOCB-QGZVFWFLSA-N 1 1 402.886 2.198 20 30 HEEDMO C[C@H](Sc1nncn1C)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770858215 1079042011 /nfs/dbraw/zinc/04/20/11/1079042011.db2.gz KWGFGVPSAUUBRE-KRWDZBQOSA-N 1 1 414.531 2.113 20 30 HEEDMO O=C(CNC(=O)c1ccccc1)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770859797 1079043161 /nfs/dbraw/zinc/04/31/61/1079043161.db2.gz WBNZYBICHQBQMG-UHFFFAOYSA-N 1 1 406.482 2.234 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628009 1079411784 /nfs/dbraw/zinc/41/17/84/1079411784.db2.gz DKVRDEYBJULVIO-JTSKRJEESA-N 1 1 412.490 2.194 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628009 1079411791 /nfs/dbraw/zinc/41/17/91/1079411791.db2.gz DKVRDEYBJULVIO-JTSKRJEESA-N 1 1 412.490 2.194 20 30 HEEDMO CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000741344272 1076488192 /nfs/dbraw/zinc/48/81/92/1076488192.db2.gz GAGOJMXYINVFLW-MRXNPFEDSA-N 1 1 404.486 2.133 20 30 HEEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000742915700 1076896956 /nfs/dbraw/zinc/89/69/56/1076896956.db2.gz PLAFAOXGUKBPLD-QGZVFWFLSA-N 1 1 420.579 2.086 20 30 HEEDMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC[N@H+]1C ZINC000743108959 1076957995 /nfs/dbraw/zinc/95/79/95/1076957995.db2.gz GBZHTPOIXZUNOW-YIAMGWMBSA-N 1 1 407.540 2.104 20 30 HEEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC[N@H+]1C ZINC000743115652 1076962807 /nfs/dbraw/zinc/96/28/07/1076962807.db2.gz YBCGNQDYJQIZFB-SDHHDXMRSA-N 1 1 421.567 2.446 20 30 HEEDMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCc1ccc(C#N)cc1 ZINC000743313054 1077024387 /nfs/dbraw/zinc/02/43/87/1077024387.db2.gz AHKGAWJLOVZKQV-UHFFFAOYSA-N 1 1 407.474 2.276 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000743913872 1077193168 /nfs/dbraw/zinc/19/31/68/1077193168.db2.gz MVXDPHWOFIBVPT-FUHWJXTLSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 ZINC000744371381 1077370778 /nfs/dbraw/zinc/37/07/78/1077370778.db2.gz WXHHYRJIVKOBBT-UHFFFAOYSA-N 1 1 400.482 2.475 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000744364596 1077371962 /nfs/dbraw/zinc/37/19/62/1077371962.db2.gz 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C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000746475241 1079029552 /nfs/dbraw/zinc/02/95/52/1079029552.db2.gz QDRFATFEGWBSFS-NDEPHWFRSA-N 1 1 422.620 2.213 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)C1CCCCC1 ZINC001109735300 1079033637 /nfs/dbraw/zinc/03/36/37/1079033637.db2.gz ARDATNVQYALZOA-MJCUULBUSA-N 1 1 403.567 2.480 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)C1CCCCC1 ZINC001109735300 1079033642 /nfs/dbraw/zinc/03/36/42/1079033642.db2.gz ARDATNVQYALZOA-MJCUULBUSA-N 1 1 403.567 2.480 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000771632341 1079439888 /nfs/dbraw/zinc/43/98/88/1079439888.db2.gz QEMBQRFSPBCDIK-GOSISDBHSA-N 1 1 412.490 2.191 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000771632341 1079439895 /nfs/dbraw/zinc/43/98/95/1079439895.db2.gz QEMBQRFSPBCDIK-GOSISDBHSA-N 1 1 412.490 2.191 20 30 HEEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327233 1075981525 /nfs/dbraw/zinc/98/15/25/1075981525.db2.gz XTQAMUVHVPOGAI-SFHVURJKSA-N 1 1 421.586 2.202 20 30 HEEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327233 1075981532 /nfs/dbraw/zinc/98/15/32/1075981532.db2.gz XTQAMUVHVPOGAI-SFHVURJKSA-N 1 1 421.586 2.202 20 30 HEEDMO COC(=O)[C@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000739990558 1076090789 /nfs/dbraw/zinc/09/07/89/1076090789.db2.gz RBQWXJJMQYWQIZ-JOCHJYFZSA-N 1 1 406.486 2.201 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000740740965 1076229967 /nfs/dbraw/zinc/22/99/67/1076229967.db2.gz HUUDDWQDXHJHJW-JOCHJYFZSA-N 1 1 405.498 2.356 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000740740965 1076229970 /nfs/dbraw/zinc/22/99/70/1076229970.db2.gz HUUDDWQDXHJHJW-JOCHJYFZSA-N 1 1 405.498 2.356 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741276793 1076441936 /nfs/dbraw/zinc/44/19/36/1076441936.db2.gz AWBSUYSDNJDEPF-GCJKJVERSA-N 1 1 420.513 2.195 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741276793 1076441939 /nfs/dbraw/zinc/44/19/39/1076441939.db2.gz AWBSUYSDNJDEPF-GCJKJVERSA-N 1 1 420.513 2.195 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741439363 1076530025 /nfs/dbraw/zinc/53/00/25/1076530025.db2.gz RAMZQOKEBMDTTI-AVRDEDQJSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741439363 1076530035 /nfs/dbraw/zinc/53/00/35/1076530035.db2.gz RAMZQOKEBMDTTI-AVRDEDQJSA-N 1 1 421.497 2.043 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000742249430 1076806115 /nfs/dbraw/zinc/80/61/15/1076806115.db2.gz ROFXPQFWMHVMAX-GHVJWSGMSA-N 1 1 410.518 2.070 20 30 HEEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 ZINC000743359381 1077031919 /nfs/dbraw/zinc/03/19/19/1077031919.db2.gz TYVGSNNSECTLPG-LTUQMTLXSA-N 1 1 421.567 2.351 20 30 HEEDMO C#CCC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000743491690 1077060604 /nfs/dbraw/zinc/06/06/04/1077060604.db2.gz LATRDXNNCIWWHK-UHFFFAOYSA-N 1 1 422.270 2.385 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000743633759 1077084189 /nfs/dbraw/zinc/08/41/89/1077084189.db2.gz TZUDZKMBSSCSIW-IBGZPJMESA-N 1 1 419.529 2.116 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000744370778 1077370388 /nfs/dbraw/zinc/37/03/88/1077370388.db2.gz AZKAVXDPTJOKKD-OALUTQOASA-N 1 1 417.575 2.134 20 30 HEEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 ZINC000744389646 1077372947 /nfs/dbraw/zinc/37/29/47/1077372947.db2.gz WUHSZWOFVLEVKZ-UHFFFAOYSA-N 1 1 412.877 2.319 20 30 HEEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 ZINC000744389646 1077372952 /nfs/dbraw/zinc/37/29/52/1077372952.db2.gz WUHSZWOFVLEVKZ-UHFFFAOYSA-N 1 1 412.877 2.319 20 30 HEEDMO COC(=O)CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCOCC1 ZINC000744427335 1077390543 /nfs/dbraw/zinc/39/05/43/1077390543.db2.gz RCMWNQLWXXSUFT-UHFFFAOYSA-N 1 1 405.520 2.481 20 30 HEEDMO NC(=[NH+]O[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000744442454 1077397130 /nfs/dbraw/zinc/39/71/30/1077397130.db2.gz GEBKQSOKMPINPB-NRFANRHFSA-N 1 1 408.502 2.480 20 30 HEEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnn(Cc2ccccc2Cl)c1 ZINC000767107919 1079662086 /nfs/dbraw/zinc/66/20/86/1079662086.db2.gz UMOAFWWTSAEMHR-UHFFFAOYSA-N 1 1 420.970 2.105 20 30 HEEDMO Oc1c(Br)cc(Br)cc1/C=N/C[C@@H]1C[NH+]2CCN1CC2 ZINC000746523359 1079664451 /nfs/dbraw/zinc/66/44/51/1079664451.db2.gz VPFMAEPZOPDPGS-KOSUEXCASA-N 1 1 403.118 2.336 20 30 HEEDMO C#CCN1CCC(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000772110100 1079713984 /nfs/dbraw/zinc/71/39/84/1079713984.db2.gz ONXKWVIDGPHGII-IBGZPJMESA-N 1 1 411.546 2.044 20 30 HEEDMO COc1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C#N ZINC000767748125 1080065701 /nfs/dbraw/zinc/06/57/01/1080065701.db2.gz URRYUBYELFOMAH-UHFFFAOYSA-N 1 1 400.504 2.261 20 30 HEEDMO C#CCOc1ccccc1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769108410 1080937774 /nfs/dbraw/zinc/93/77/74/1080937774.db2.gz HXGYMTLSGGDFBY-YADHBBJMSA-N 1 1 407.514 2.381 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740333 720630495 /nfs/dbraw/zinc/63/04/95/720630495.db2.gz IOHQMMCAVBAFGU-CHWSQXEVSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740333 720630497 /nfs/dbraw/zinc/63/04/97/720630497.db2.gz IOHQMMCAVBAFGU-CHWSQXEVSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739468 720737696 /nfs/dbraw/zinc/73/76/96/720737696.db2.gz ITFFRXZSANIQCQ-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739468 720737704 /nfs/dbraw/zinc/73/77/04/720737704.db2.gz ITFFRXZSANIQCQ-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866559 721068173 /nfs/dbraw/zinc/06/81/73/721068173.db2.gz FLRWVQXPBVHCKO-OALUTQOASA-N 1 1 421.501 2.313 20 30 HEEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C4(C#N)CCC4)cn3)CC2)C1 ZINC001164869855 721272970 /nfs/dbraw/zinc/27/29/70/721272970.db2.gz QFDZNTZFXBLVBE-UHFFFAOYSA-N 1 1 411.550 2.034 20 30 HEEDMO COc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778804 721341956 /nfs/dbraw/zinc/34/19/56/721341956.db2.gz OQEVWGKFKJTMIQ-OAQYLSRUSA-N 1 1 412.494 2.081 20 30 HEEDMO COc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778804 721341961 /nfs/dbraw/zinc/34/19/61/721341961.db2.gz OQEVWGKFKJTMIQ-OAQYLSRUSA-N 1 1 412.494 2.081 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164884486 721413536 /nfs/dbraw/zinc/41/35/36/721413536.db2.gz DJKUUTYBYUAYDV-JXFKEZNVSA-N 1 1 404.946 2.076 20 30 HEEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164790446 721454859 /nfs/dbraw/zinc/45/48/59/721454859.db2.gz ZCBNZLVACZQMGF-IBGZPJMESA-N 1 1 415.538 2.091 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)CCOC2 ZINC001164983328 722150328 /nfs/dbraw/zinc/15/03/28/722150328.db2.gz UFZGXQXMWFHWSL-GCJKJVERSA-N 1 1 405.502 2.148 20 30 HEEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C4(C#N)CCC4)cn2)CC3)CC1 ZINC001164996385 722233159 /nfs/dbraw/zinc/23/31/59/722233159.db2.gz FKJVIVGXHVJFII-UHFFFAOYSA-N 1 1 403.534 2.174 20 30 HEEDMO C=CCNc1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000770116846 1078736887 /nfs/dbraw/zinc/73/68/87/1078736887.db2.gz JMOVJZVSHIZDFF-UHFFFAOYSA-N 1 1 400.504 2.242 20 30 HEEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746329141 1078860411 /nfs/dbraw/zinc/86/04/11/1078860411.db2.gz CSKRIXVMKJQEKE-CWJYSFMFSA-N 1 1 410.518 2.274 20 30 HEEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000746466029 1079024808 /nfs/dbraw/zinc/02/48/08/1079024808.db2.gz NDPOAKOZCOPKFO-QGZVFWFLSA-N 1 1 416.522 2.420 20 30 HEEDMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](CCC#N)Cc1ccccc1 ZINC001169197362 1079182831 /nfs/dbraw/zinc/18/28/31/1079182831.db2.gz VHUGCSWSUOWJCH-GOSISDBHSA-N 1 1 422.533 2.408 20 30 HEEDMO CC[N@@H+](CCC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1)CC1CC1 ZINC000771412916 1079311380 /nfs/dbraw/zinc/31/13/80/1079311380.db2.gz GTYQUFXPIURMBD-QURGRASLSA-N 1 1 402.539 2.264 20 30 HEEDMO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC2 ZINC000771776996 1079498382 /nfs/dbraw/zinc/49/83/82/1079498382.db2.gz IMBBFIXNCHVDJD-UHFFFAOYSA-N 1 1 412.490 2.334 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)CCC[N@H+](C)CC(=O)Nc2cccc(C#C)c2)c1 ZINC000740875420 1076277908 /nfs/dbraw/zinc/27/79/08/1076277908.db2.gz ZJCLDVRJQJHHTH-UHFFFAOYSA-N 1 1 416.525 2.480 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)CCC[N@@H+](C)CC(=O)Nc2cccc(C#C)c2)c1 ZINC000740875420 1076277920 /nfs/dbraw/zinc/27/79/20/1076277920.db2.gz ZJCLDVRJQJHHTH-UHFFFAOYSA-N 1 1 416.525 2.480 20 30 HEEDMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000741119399 1076379087 /nfs/dbraw/zinc/37/90/87/1076379087.db2.gz YJOCVEFRPQYGKL-SFHVURJKSA-N 1 1 408.520 2.278 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741439364 1076530063 /nfs/dbraw/zinc/53/00/63/1076530063.db2.gz RAMZQOKEBMDTTI-GCJKJVERSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741439364 1076530067 /nfs/dbraw/zinc/53/00/67/1076530067.db2.gz RAMZQOKEBMDTTI-GCJKJVERSA-N 1 1 421.497 2.043 20 30 HEEDMO N#CCCNC(=O)C[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000741792711 1076630959 /nfs/dbraw/zinc/63/09/59/1076630959.db2.gz CLHAJVGNFAVXMI-UHFFFAOYSA-N 1 1 414.403 2.324 20 30 HEEDMO C[C@@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742519405 1076847230 /nfs/dbraw/zinc/84/72/30/1076847230.db2.gz QZDRNLSQIDHSGB-INIZCTEOSA-N 1 1 420.579 2.275 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000742911329 1076891087 /nfs/dbraw/zinc/89/10/87/1076891087.db2.gz OOFNSYICCOTKDW-AEFFLSMTSA-N 1 1 420.579 2.084 20 30 HEEDMO C#CCC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000743490645 1077060524 /nfs/dbraw/zinc/06/05/24/1077060524.db2.gz SAGNSHDMHBGACM-UHFFFAOYSA-N 1 1 413.337 2.070 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000743898251 1077211288 /nfs/dbraw/zinc/21/12/88/1077211288.db2.gz SAPQTWRHXWKNCK-UHFFFAOYSA-N 1 1 415.490 2.225 20 30 HEEDMO Oc1c(Br)cc(Br)cc1/C=N\C[C@H]1C[NH+]2CCN1CC2 ZINC000746523363 1079671402 /nfs/dbraw/zinc/67/14/02/1079671402.db2.gz VPFMAEPZOPDPGS-MSBCHBQFSA-N 1 1 403.118 2.336 20 30 HEEDMO CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCn1cc[nH+]c1C ZINC000767529984 1079921791 /nfs/dbraw/zinc/92/17/91/1079921791.db2.gz YJJYDEDWCDWHPP-QGZVFWFLSA-N 1 1 418.519 2.422 20 30 HEEDMO C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)c1C ZINC000785652208 1080105233 /nfs/dbraw/zinc/10/52/33/1080105233.db2.gz IBPJXSPRUHVUMU-RBUKOAKNSA-N 1 1 415.534 2.350 20 30 HEEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000746625740 1080949379 /nfs/dbraw/zinc/94/93/79/1080949379.db2.gz SLPMRZCRXZVGCR-SFHVURJKSA-N 1 1 413.543 2.239 20 30 HEEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769161931 1080978959 /nfs/dbraw/zinc/97/89/59/1080978959.db2.gz BRIJMNHUHHKXEU-IBGZPJMESA-N 1 1 421.586 2.010 20 30 HEEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164687471 719732495 /nfs/dbraw/zinc/73/24/95/719732495.db2.gz XWSILYJBRBMOEA-UHFFFAOYSA-N 1 1 412.538 2.119 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741421 720705147 /nfs/dbraw/zinc/70/51/47/720705147.db2.gz SZTVZBDTYOSTQJ-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741421 720705150 /nfs/dbraw/zinc/70/51/50/720705150.db2.gz SZTVZBDTYOSTQJ-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164745769 720833287 /nfs/dbraw/zinc/83/32/87/720833287.db2.gz NGZFQTFHBOYOFN-YVWKXTFCSA-N 1 1 402.506 2.405 20 30 HEEDMO N#Cc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747305 720877733 /nfs/dbraw/zinc/87/77/33/720877733.db2.gz BBWFOUZLIPNTRB-OFNKIYASSA-N 1 1 404.518 2.498 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@@H]2CCCO[C@@H]12 ZINC001164799325 721586398 /nfs/dbraw/zinc/58/63/98/721586398.db2.gz ASEQKNWUABZIOV-YPAWHYETSA-N 1 1 405.502 2.289 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@@H]2CCCO[C@@H]12 ZINC001164799325 721586403 /nfs/dbraw/zinc/58/64/03/721586403.db2.gz ASEQKNWUABZIOV-YPAWHYETSA-N 1 1 405.502 2.289 20 30 HEEDMO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(CC#N)c(C)[nH+]4)CCO3)C2)cs1 ZINC001164923019 721832752 /nfs/dbraw/zinc/83/27/52/721832752.db2.gz QMJFWSWNCGBTBF-NRFANRHFSA-N 1 1 413.547 2.329 20 30 HEEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1OC ZINC000745819052 1078648978 /nfs/dbraw/zinc/64/89/78/1078648978.db2.gz ILKFQXRYSPJVFO-IEBWSBKVSA-N 1 1 417.554 2.059 20 30 HEEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746297048 1078845568 /nfs/dbraw/zinc/84/55/68/1078845568.db2.gz QNVMDVFPKDVIBQ-GHVJWSGMSA-N 1 1 422.485 2.444 20 30 HEEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746297048 1078845571 /nfs/dbraw/zinc/84/55/71/1078845571.db2.gz QNVMDVFPKDVIBQ-GHVJWSGMSA-N 1 1 422.485 2.444 20 30 HEEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746329142 1078860436 /nfs/dbraw/zinc/86/04/36/1078860436.db2.gz CSKRIXVMKJQEKE-VCGVYRDQSA-N 1 1 410.518 2.274 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1F ZINC000746343644 1078867105 /nfs/dbraw/zinc/86/71/05/1078867105.db2.gz HVRINQNVRUHLJJ-INIZCTEOSA-N 1 1 409.527 2.094 20 30 HEEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)C1 ZINC000746353621 1078871252 /nfs/dbraw/zinc/87/12/52/1078871252.db2.gz HQOXNCPDYVWOAU-CALCHBBNSA-N 1 1 408.506 2.139 20 30 HEEDMO C#CCNc1nc(NCc2cn3ccccc3n2)[nH+]c(NCc2cn3ccccc3n2)n1 ZINC000804327344 1079307579 /nfs/dbraw/zinc/30/75/79/1079307579.db2.gz OLQBTDIVRDKYBD-UHFFFAOYSA-N 1 1 424.472 2.436 20 30 HEEDMO C#CCNc1nc(NCc2cn3ccccc3n2)nc(NCc2cn3ccccc3n2)[nH+]1 ZINC000804327344 1079307587 /nfs/dbraw/zinc/30/75/87/1079307587.db2.gz OLQBTDIVRDKYBD-UHFFFAOYSA-N 1 1 424.472 2.436 20 30 HEEDMO CS(=O)(=O)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001169884356 1079458254 /nfs/dbraw/zinc/45/82/54/1079458254.db2.gz CAJBVTAFOJNAOO-XTXLOEGASA-N 1 1 401.532 2.343 20 30 HEEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000738316346 1075988425 /nfs/dbraw/zinc/98/84/25/1075988425.db2.gz CSRFGHHDVMEBJB-RBUKOAKNSA-N 1 1 405.502 2.410 20 30 HEEDMO Cc1ccoc1C(=O)NCCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000738561668 1076012400 /nfs/dbraw/zinc/01/24/00/1076012400.db2.gz WXBUAUMWOSJMIG-UHFFFAOYSA-N 1 1 407.474 2.368 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 ZINC000741680896 1076583984 /nfs/dbraw/zinc/58/39/84/1076583984.db2.gz KZPBSRTURDENCX-IBGZPJMESA-N 1 1 414.575 2.106 20 30 HEEDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742552997 1076851305 /nfs/dbraw/zinc/85/13/05/1076851305.db2.gz BOOZWLGSBJGKFY-CYBMUJFWSA-N 1 1 424.486 2.032 20 30 HEEDMO C=C(Br)CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000743313163 1077024549 /nfs/dbraw/zinc/02/45/49/1077024549.db2.gz DERJXZXFUCZWNR-UHFFFAOYSA-N 1 1 411.300 2.113 20 30 HEEDMO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1N1CCC(O)CC1 ZINC000743732742 1077093872 /nfs/dbraw/zinc/09/38/72/1077093872.db2.gz NMSKIJURMAWDFO-HSZRJFAPSA-N 1 1 420.513 2.359 20 30 HEEDMO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1N1CCC(O)CC1 ZINC000743732742 1077093877 /nfs/dbraw/zinc/09/38/77/1077093877.db2.gz NMSKIJURMAWDFO-HSZRJFAPSA-N 1 1 420.513 2.359 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000744431562 1077392220 /nfs/dbraw/zinc/39/22/20/1077392220.db2.gz MUEPFMXLQDJNEK-SFHVURJKSA-N 1 1 406.324 2.184 20 30 HEEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000744442218 1077396024 /nfs/dbraw/zinc/39/60/24/1077396024.db2.gz DMDDCMRTGKYHDT-OAHLLOKOSA-N 1 1 407.474 2.183 20 30 HEEDMO C#CC[N@H+](CCCOC(=O)NC(N)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000772176938 1079726920 /nfs/dbraw/zinc/72/69/20/1079726920.db2.gz ASJAATINQDZJGO-AWEZNQCLSA-N 1 1 410.268 2.403 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCn1cc[nH+]c1C ZINC000767529983 1079921850 /nfs/dbraw/zinc/92/18/50/1079921850.db2.gz YJJYDEDWCDWHPP-KRWDZBQOSA-N 1 1 418.519 2.422 20 30 HEEDMO C#CCNc1nc(NCc2ccccc2CO)[nH+]c(NCc2ccccc2CO)n1 ZINC000804369929 1080840437 /nfs/dbraw/zinc/84/04/37/1080840437.db2.gz FEKRQXZOSWYMIF-UHFFFAOYSA-N 1 1 404.474 2.126 20 30 HEEDMO C#CCNc1nc(NCc2ccccc2CO)nc(NCc2ccccc2CO)[nH+]1 ZINC000804369929 1080840439 /nfs/dbraw/zinc/84/04/39/1080840439.db2.gz FEKRQXZOSWYMIF-UHFFFAOYSA-N 1 1 404.474 2.126 20 30 HEEDMO C#CCOc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768990540 1080877345 /nfs/dbraw/zinc/87/73/45/1080877345.db2.gz GRRZQBAYHABJQW-UHFFFAOYSA-N 1 1 401.507 2.210 20 30 HEEDMO C#CCOc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768990540 1080877346 /nfs/dbraw/zinc/87/73/46/1080877346.db2.gz GRRZQBAYHABJQW-UHFFFAOYSA-N 1 1 401.507 2.210 20 30 HEEDMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N(CCC#N)Cc2ccccn2)CC1 ZINC000769186054 1080997532 /nfs/dbraw/zinc/99/75/32/1080997532.db2.gz FOQICXIMDCRETO-UHFFFAOYSA-N 1 1 401.511 2.313 20 30 HEEDMO C#CCCOc1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC000769467581 1081089178 /nfs/dbraw/zinc/08/91/78/1081089178.db2.gz WIARMZFGKTZDLJ-UHFFFAOYSA-N 1 1 407.518 2.038 20 30 HEEDMO Cc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C#N ZINC001164814093 720224361 /nfs/dbraw/zinc/22/43/61/720224361.db2.gz SVCAGXMZMBKRRS-UHFFFAOYSA-N 1 1 401.902 2.117 20 30 HEEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841549 720633110 /nfs/dbraw/zinc/63/31/10/720633110.db2.gz SVSJZTMXFSOUNA-QWFCFKBJSA-N 1 1 408.506 2.314 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742651 720829941 /nfs/dbraw/zinc/82/99/41/720829941.db2.gz QGWMWVGPZCIXKV-HSALFYBXSA-N 1 1 409.538 2.321 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCC2 ZINC001164739538 720847101 /nfs/dbraw/zinc/84/71/01/720847101.db2.gz AZVCASGNYNKSAB-JAXLGGSGSA-N 1 1 403.534 2.413 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC[C@H]2C1 ZINC001164857358 720857106 /nfs/dbraw/zinc/85/71/06/720857106.db2.gz QJRAKNICUYQPFU-XJKSGUPXSA-N 1 1 400.857 2.325 20 30 HEEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164894554 721392888 /nfs/dbraw/zinc/39/28/88/721392888.db2.gz YZOFHUOLPHAAEB-WMZHIEFXSA-N 1 1 406.534 2.267 20 30 HEEDMO N#Cc1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164946866 721970789 /nfs/dbraw/zinc/97/07/89/721970789.db2.gz XYSOJZQQSDGWOG-UHFFFAOYSA-N 1 1 412.497 2.472 20 30 HEEDMO N#Cc1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164946866 721970792 /nfs/dbraw/zinc/97/07/92/721970792.db2.gz XYSOJZQQSDGWOG-UHFFFAOYSA-N 1 1 412.497 2.472 20 30 HEEDMO N#Cc1c[nH]c2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164958938 722051638 /nfs/dbraw/zinc/05/16/38/722051638.db2.gz HZBVQODPCQRCPH-UHFFFAOYSA-N 1 1 403.490 2.344 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967208 722073674 /nfs/dbraw/zinc/07/36/74/722073674.db2.gz NWYIKVUYHIDRJS-KDURUIRLSA-N 1 1 413.594 2.397 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)CCOC2 ZINC001164983327 722150450 /nfs/dbraw/zinc/15/04/50/722150450.db2.gz UFZGXQXMWFHWSL-AVRDEDQJSA-N 1 1 405.502 2.148 20 30 HEEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C#C[Si](C)(C)C)CC3)CC1 ZINC001164996788 722235715 /nfs/dbraw/zinc/23/57/15/722235715.db2.gz JDBHUHHNLHEESA-UHFFFAOYSA-N 1 1 420.637 2.458 20 30 HEEDMO CC(C)[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(C#N)cc1 ZINC000746133330 1078801740 /nfs/dbraw/zinc/80/17/40/1078801740.db2.gz JOSORNZIMTXZKW-UHFFFAOYSA-N 1 1 411.506 2.445 20 30 HEEDMO C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746260221 1078827311 /nfs/dbraw/zinc/82/73/11/1078827311.db2.gz TZVGFRAEVJVOGS-AEFFLSMTSA-N 1 1 407.308 2.455 20 30 HEEDMO C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746260221 1078827314 /nfs/dbraw/zinc/82/73/14/1078827314.db2.gz TZVGFRAEVJVOGS-AEFFLSMTSA-N 1 1 407.308 2.455 20 30 HEEDMO C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746260224 1078827586 /nfs/dbraw/zinc/82/75/86/1078827586.db2.gz TZVGFRAEVJVOGS-WMZOPIPTSA-N 1 1 407.308 2.455 20 30 HEEDMO C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746260224 1078827588 /nfs/dbraw/zinc/82/75/88/1078827588.db2.gz TZVGFRAEVJVOGS-WMZOPIPTSA-N 1 1 407.308 2.455 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804271282 1078951000 /nfs/dbraw/zinc/95/10/00/1078951000.db2.gz JBKQAGKNBIXAOV-NFFVOIMASA-N 1 1 408.458 2.143 20 30 HEEDMO N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746453109 1078980686 /nfs/dbraw/zinc/98/06/86/1078980686.db2.gz MZAWLWUMMLNKGJ-KSSFIOAISA-N 1 1 400.454 2.142 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1sccc1-n1cnnn1 ZINC000770860782 1079043661 /nfs/dbraw/zinc/04/36/61/1079043661.db2.gz UWPBHDLPQWNEAV-UHFFFAOYSA-N 1 1 423.498 2.155 20 30 HEEDMO O=C(CN1Cc2ccccc2C1=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770857748 1079041858 /nfs/dbraw/zinc/04/18/58/1079041858.db2.gz GCTVAMJVMSHVNQ-UHFFFAOYSA-N 1 1 418.493 2.460 20 30 HEEDMO CC(C)(C)N1C[C@@H](C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000770859732 1079042687 /nfs/dbraw/zinc/04/26/87/1079042687.db2.gz QKFFYGGRZGSIOW-NRFANRHFSA-N 1 1 412.530 2.451 20 30 HEEDMO CC(C)(C)N1C[C@H](C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000770859736 1079042727 /nfs/dbraw/zinc/04/27/27/1079042727.db2.gz QKFFYGGRZGSIOW-OAQYLSRUSA-N 1 1 412.530 2.451 20 30 HEEDMO C#CC[C@@]1(C(=O)N2CC[NH+](CCCCCO)CC2)CCCN1C(=O)OC(C)(C)C ZINC001169049532 1079116000 /nfs/dbraw/zinc/11/60/00/1079116000.db2.gz JSZZNUYPUUYLJR-QFIPXVFZSA-N 1 1 407.555 2.086 20 30 HEEDMO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766612660 1079173529 /nfs/dbraw/zinc/17/35/29/1079173529.db2.gz YFKMMNGIYOEHPV-UHFFFAOYSA-N 1 1 416.529 2.249 20 30 HEEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000771321651 1079286233 /nfs/dbraw/zinc/28/62/33/1079286233.db2.gz ORSBUAABSCHBAK-IEBWSBKVSA-N 1 1 417.554 2.201 20 30 HEEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000766896839 1079500639 /nfs/dbraw/zinc/50/06/39/1079500639.db2.gz XKMQGLPHMHKICR-GOSISDBHSA-N 1 1 416.522 2.420 20 30 HEEDMO COC(=O)[C@H](NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000739992053 1076091118 /nfs/dbraw/zinc/09/11/18/1076091118.db2.gz VIWFBKHOBALCPD-JOCHJYFZSA-N 1 1 406.486 2.465 20 30 HEEDMO N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741324734 1076476720 /nfs/dbraw/zinc/47/67/20/1076476720.db2.gz DNMNBFXZPKFGLZ-GOSISDBHSA-N 1 1 400.454 2.237 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)cc2F)CC1 ZINC000741345605 1076489562 /nfs/dbraw/zinc/48/95/62/1076489562.db2.gz REIFVKBILFORBU-FQEVSTJZSA-N 1 1 410.449 2.223 20 30 HEEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000743359758 1077031943 /nfs/dbraw/zinc/03/19/43/1077031943.db2.gz WJUFBIMSIBLUMD-IHIJCHFRSA-N 1 1 421.567 2.351 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000743376266 1077044572 /nfs/dbraw/zinc/04/45/72/1077044572.db2.gz KPBDYGJNGFFCBY-QFIPXVFZSA-N 1 1 417.513 2.486 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000743882853 1077172346 /nfs/dbraw/zinc/17/23/46/1077172346.db2.gz DNIVIPXBQISYCZ-AWEZNQCLSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000743882853 1077172361 /nfs/dbraw/zinc/17/23/61/1077172361.db2.gz DNIVIPXBQISYCZ-AWEZNQCLSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000743913871 1077193189 /nfs/dbraw/zinc/19/31/89/1077193189.db2.gz MVXDPHWOFIBVPT-AEFFLSMTSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000743890731 1077200815 /nfs/dbraw/zinc/20/08/15/1077200815.db2.gz WCAFGQDDRANRPM-UHFFFAOYSA-N 1 1 409.461 2.163 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000743905757 1077220192 /nfs/dbraw/zinc/22/01/92/1077220192.db2.gz HEDPZSCCLMIMPB-IBGZPJMESA-N 1 1 423.488 2.457 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 ZINC000744370927 1077370575 /nfs/dbraw/zinc/37/05/75/1077370575.db2.gz GBTUGWZKQYVSKT-UHFFFAOYSA-N 1 1 406.511 2.293 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CC1 ZINC000744366224 1077372391 /nfs/dbraw/zinc/37/23/91/1077372391.db2.gz ILALDBJAUGSZHC-UHFFFAOYSA-N 1 1 417.937 2.368 20 30 HEEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785726777 1080202364 /nfs/dbraw/zinc/20/23/64/1080202364.db2.gz BBYJLPVGRIQXOM-GASCZTMLSA-N 1 1 404.511 2.368 20 30 HEEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785726777 1080202370 /nfs/dbraw/zinc/20/23/70/1080202370.db2.gz BBYJLPVGRIQXOM-GASCZTMLSA-N 1 1 404.511 2.368 20 30 HEEDMO CCCOc1ccc2[nH]cc(C=NNC(=S)NCCC[NH+]3CCOCC3)c2c1 ZINC000768352850 1080508509 /nfs/dbraw/zinc/50/85/09/1080508509.db2.gz SJUBODBOUDINOM-UHFFFAOYSA-N 1 1 403.552 2.477 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740337 720631585 /nfs/dbraw/zinc/63/15/85/720631585.db2.gz IOHQMMCAVBAFGU-STQMWFEESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740337 720631597 /nfs/dbraw/zinc/63/15/97/720631597.db2.gz IOHQMMCAVBAFGU-STQMWFEESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738437 720705266 /nfs/dbraw/zinc/70/52/66/720705266.db2.gz JPQHGKZKAWIDRX-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738437 720705275 /nfs/dbraw/zinc/70/52/75/720705275.db2.gz JPQHGKZKAWIDRX-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741425 720705874 /nfs/dbraw/zinc/70/58/74/720705874.db2.gz SZTVZBDTYOSTQJ-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741425 720705888 /nfs/dbraw/zinc/70/58/88/720705888.db2.gz SZTVZBDTYOSTQJ-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742657 720830189 /nfs/dbraw/zinc/83/01/89/720830189.db2.gz QGWMWVGPZCIXKV-XUVXKRRUSA-N 1 1 409.538 2.321 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@H]2C1 ZINC001164855852 720839358 /nfs/dbraw/zinc/83/93/58/720839358.db2.gz VGCZWPWYSSGRFJ-KBXCAEBGSA-N 1 1 401.898 2.328 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164884490 721413702 /nfs/dbraw/zinc/41/37/02/721413702.db2.gz DJKUUTYBYUAYDV-OXJNMPFZSA-N 1 1 404.946 2.076 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@H]2CCCO[C@H]12 ZINC001164799319 721585966 /nfs/dbraw/zinc/58/59/66/721585966.db2.gz ASEQKNWUABZIOV-BDTNDASRSA-N 1 1 405.502 2.289 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@H]2CCCO[C@H]12 ZINC001164799319 721585967 /nfs/dbraw/zinc/58/59/67/721585967.db2.gz ASEQKNWUABZIOV-BDTNDASRSA-N 1 1 405.502 2.289 20 30 HEEDMO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(CC#N)c(C)[nH+]4)CCO3)C2)cs1 ZINC001164923020 721832709 /nfs/dbraw/zinc/83/27/09/721832709.db2.gz QMJFWSWNCGBTBF-OAQYLSRUSA-N 1 1 413.547 2.329 20 30 HEEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000745819829 1078663897 /nfs/dbraw/zinc/66/38/97/1078663897.db2.gz FARNZESWDROGCC-ICSRJNTNSA-N 1 1 401.555 2.440 20 30 HEEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746353867 1078871222 /nfs/dbraw/zinc/87/12/22/1078871222.db2.gz MMVAUFOMTMCIKC-CALCHBBNSA-N 1 1 408.506 2.139 20 30 HEEDMO N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746453108 1078979870 /nfs/dbraw/zinc/97/98/70/1078979870.db2.gz MZAWLWUMMLNKGJ-KDOFPFPSSA-N 1 1 400.454 2.142 20 30 HEEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc(Sc2ccccn2)o1 ZINC000766434448 1079003102 /nfs/dbraw/zinc/00/31/02/1079003102.db2.gz YWVVEOZHRDFKIC-UHFFFAOYSA-N 1 1 405.549 2.346 20 30 HEEDMO C[C@@H](NC(=O)c1ccoc1)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770858298 1079041414 /nfs/dbraw/zinc/04/14/14/1079041414.db2.gz LRSHCSGTJFYNAC-GOSISDBHSA-N 1 1 410.470 2.215 20 30 HEEDMO CC(C)(C=NNC(=S)NCCC[NH+]1CCOCC1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000771090818 1079146727 /nfs/dbraw/zinc/14/67/27/1079146727.db2.gz ZBJZSPGMKLMLHO-GOSISDBHSA-N 1 1 421.567 2.245 20 30 HEEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc1 ZINC001169149250 1079165751 /nfs/dbraw/zinc/16/57/51/1079165751.db2.gz IIBHNEKMHLDEAJ-FQEVSTJZSA-N 1 1 413.543 2.464 20 30 HEEDMO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC=CC(=O)C(F)(F)F ZINC001169474256 1079311880 /nfs/dbraw/zinc/31/18/80/1079311880.db2.gz YBIBHUNRMZUGRT-NTYUQYKDSA-N 1 1 403.401 2.244 20 30 HEEDMO COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC=CC(=O)C(F)(F)F ZINC001169474256 1079311885 /nfs/dbraw/zinc/31/18/85/1079311885.db2.gz YBIBHUNRMZUGRT-NTYUQYKDSA-N 1 1 403.401 2.244 20 30 HEEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000741793707 1076631453 /nfs/dbraw/zinc/63/14/53/1076631453.db2.gz LQYIDOHXQFDULW-AWEZNQCLSA-N 1 1 413.415 2.433 20 30 HEEDMO C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742545134 1076850555 /nfs/dbraw/zinc/85/05/55/1076850555.db2.gz VXJUCCBABYBGNV-SJORKVTESA-N 1 1 420.579 2.275 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000743377348 1077045122 /nfs/dbraw/zinc/04/51/22/1077045122.db2.gz LNHCTGLSPRJAIK-QFIPXVFZSA-N 1 1 417.513 2.486 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000743915115 1077194195 /nfs/dbraw/zinc/19/41/95/1077194195.db2.gz ZTPDRAFYRGMMKQ-SJLPKXTDSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000744425441 1077388819 /nfs/dbraw/zinc/38/88/19/1077388819.db2.gz MFYOKUMIKYFFBP-UHFFFAOYSA-N 1 1 407.312 2.128 20 30 HEEDMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ncc(C#N)s2)C[C@H]1C(=O)N1CCSC1 ZINC001170032395 1079518985 /nfs/dbraw/zinc/51/89/85/1079518985.db2.gz USGJWXSZXUTIHJ-OCCSQVGLSA-N 1 1 423.564 2.015 20 30 HEEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCCOc2cc3c(cc21)CCC3 ZINC000768477261 1080574197 /nfs/dbraw/zinc/57/41/97/1080574197.db2.gz VKUFMONAVINJJN-UHFFFAOYSA-N 1 1 402.564 2.238 20 30 HEEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769115855 1080940005 /nfs/dbraw/zinc/94/00/05/1080940005.db2.gz QNSYHRQRYCPVOM-HNNXBMFYSA-N 1 1 419.478 2.039 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)CCOc2cccc(I)c2)CC1 ZINC000787283724 1081091030 /nfs/dbraw/zinc/09/10/30/1081091030.db2.gz OYCFKZJNKKILBU-UHFFFAOYSA-N 1 1 412.271 2.228 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837189 720638976 /nfs/dbraw/zinc/63/89/76/720638976.db2.gz HNEAUCAKPFDWMH-LLGFUMIMSA-N 1 1 404.522 2.357 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@H]2C1 ZINC001164852703 720853428 /nfs/dbraw/zinc/85/34/28/720853428.db2.gz FMRVAUVLRIUWLX-XJKSGUPXSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@H]2C1 ZINC001164853025 720858501 /nfs/dbraw/zinc/85/85/01/720858501.db2.gz GEFKERHKNJUPLQ-LSDHHAIUSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164852654 720867812 /nfs/dbraw/zinc/86/78/12/720867812.db2.gz FDNFPHQHDHNYOA-APWZRJJASA-N 1 1 415.538 2.111 20 30 HEEDMO C=CCN1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CC1 ZINC001165032221 721869178 /nfs/dbraw/zinc/86/91/78/721869178.db2.gz MEVKNCWUOFJQOQ-SFHVURJKSA-N 1 1 415.582 2.188 20 30 HEEDMO N#Cc1cc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ccc2[nH]1 ZINC001164948468 721977410 /nfs/dbraw/zinc/97/74/10/721977410.db2.gz ZPFATBWONOXCBJ-UHFFFAOYSA-N 1 1 400.486 2.406 20 30 HEEDMO N#Cc1cc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ccc2[nH]1 ZINC001164948468 721977414 /nfs/dbraw/zinc/97/74/14/721977414.db2.gz ZPFATBWONOXCBJ-UHFFFAOYSA-N 1 1 400.486 2.406 20 30 HEEDMO CC(C)c1nc(C#N)c(N=NC(C)c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)o1 ZINC000745625246 1078563215 /nfs/dbraw/zinc/56/32/15/1078563215.db2.gz UVJHYECIFQZJPV-UHFFFAOYSA-N 1 1 416.507 2.100 20 30 HEEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccc1OC ZINC000745819051 1078648889 /nfs/dbraw/zinc/64/88/89/1078648889.db2.gz ILKFQXRYSPJVFO-HKUYNNGSSA-N 1 1 417.554 2.059 20 30 HEEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000745845539 1078662882 /nfs/dbraw/zinc/66/28/82/1078662882.db2.gz AZTIJAUIOPQOTD-PKOBYXMFSA-N 1 1 402.564 2.302 20 30 HEEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000745819828 1078663931 /nfs/dbraw/zinc/66/39/31/1078663931.db2.gz FARNZESWDROGCC-AZUAARDMSA-N 1 1 401.555 2.440 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000770299144 1078822917 /nfs/dbraw/zinc/82/29/17/1078822917.db2.gz RHIAXSNHAUZYEW-ORYQWCPZSA-N 1 1 406.486 2.116 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000770299144 1078822921 /nfs/dbraw/zinc/82/29/21/1078822921.db2.gz RHIAXSNHAUZYEW-ORYQWCPZSA-N 1 1 406.486 2.116 20 30 HEEDMO C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746260222 1078827334 /nfs/dbraw/zinc/82/73/34/1078827334.db2.gz TZVGFRAEVJVOGS-FUHWJXTLSA-N 1 1 407.308 2.455 20 30 HEEDMO C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746260222 1078827336 /nfs/dbraw/zinc/82/73/36/1078827336.db2.gz TZVGFRAEVJVOGS-FUHWJXTLSA-N 1 1 407.308 2.455 20 30 HEEDMO C[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000746285242 1078836322 /nfs/dbraw/zinc/83/63/22/1078836322.db2.gz OJILOHAEUIZAIY-INJIURRRSA-N 1 1 410.518 2.414 20 30 HEEDMO C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)[C@H]1c1cccs1 ZINC000746300237 1078847094 /nfs/dbraw/zinc/84/70/94/1078847094.db2.gz MDAYOJGSJMBGSY-LUSYWZJUSA-N 1 1 402.520 2.164 20 30 HEEDMO C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H]1c1cccs1 ZINC000746300235 1078847139 /nfs/dbraw/zinc/84/71/39/1078847139.db2.gz MDAYOJGSJMBGSY-GDINMXIOSA-N 1 1 402.520 2.164 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000746339579 1078866192 /nfs/dbraw/zinc/86/61/92/1078866192.db2.gz PDJGTWBUZKMHTL-WMZOPIPTSA-N 1 1 420.579 2.132 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1F ZINC000746343647 1078867066 /nfs/dbraw/zinc/86/70/66/1078867066.db2.gz HVRINQNVRUHLJJ-MRXNPFEDSA-N 1 1 409.527 2.094 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766366473 1078921115 /nfs/dbraw/zinc/92/11/15/1078921115.db2.gz PDIJCVZKXAEBQW-APWZRJJASA-N 1 1 413.499 2.043 20 30 HEEDMO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](CCC#N)C1CCCC1 ZINC001169201278 1079183575 /nfs/dbraw/zinc/18/35/75/1079183575.db2.gz ILSXQRJWXXHENN-MRXNPFEDSA-N 1 1 400.527 2.151 20 30 HEEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC(C)C)C1CC1 ZINC001109826385 1079219733 /nfs/dbraw/zinc/21/97/33/1079219733.db2.gz FXEUELLKQVHQCE-PTXJCGOLSA-N 1 1 403.567 2.336 20 30 HEEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC(C)C)C1CC1 ZINC001109826385 1079219739 /nfs/dbraw/zinc/21/97/39/1079219739.db2.gz FXEUELLKQVHQCE-PTXJCGOLSA-N 1 1 403.567 2.336 20 30 HEEDMO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001169604404 1079342214 /nfs/dbraw/zinc/34/22/14/1079342214.db2.gz LJQNMOQLYDVUGJ-SFHVURJKSA-N 1 1 401.511 2.339 20 30 HEEDMO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001169604404 1079342218 /nfs/dbraw/zinc/34/22/18/1079342218.db2.gz LJQNMOQLYDVUGJ-SFHVURJKSA-N 1 1 401.511 2.339 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)ccc1F ZINC001169830138 1079425179 /nfs/dbraw/zinc/42/51/79/1079425179.db2.gz HFHFPYIQXJDZDA-LJQANCHMSA-N 1 1 417.506 2.385 20 30 HEEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000766244125 1076100001 /nfs/dbraw/zinc/10/00/01/1076100001.db2.gz UNJPBIKZPLZBFO-SFHVURJKSA-N 1 1 408.315 2.330 20 30 HEEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000766244125 1076100008 /nfs/dbraw/zinc/10/00/08/1076100008.db2.gz UNJPBIKZPLZBFO-SFHVURJKSA-N 1 1 408.315 2.330 20 30 HEEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000741793711 1076631367 /nfs/dbraw/zinc/63/13/67/1076631367.db2.gz LQYIDOHXQFDULW-CQSZACIVSA-N 1 1 413.415 2.433 20 30 HEEDMO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)CC1 ZINC000742394130 1076833692 /nfs/dbraw/zinc/83/36/92/1076833692.db2.gz VQHCXPVHXNOLCB-UHFFFAOYSA-N 1 1 419.367 2.485 20 30 HEEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000743108715 1076957320 /nfs/dbraw/zinc/95/73/20/1076957320.db2.gz DRGGGOMAIHEMNY-VFOOBRQFSA-N 1 1 421.567 2.305 20 30 HEEDMO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCOCC2)nc1-c1cccnc1 ZINC000743376553 1077044851 /nfs/dbraw/zinc/04/48/51/1077044851.db2.gz XLEQDTHOQXYSSW-GOSISDBHSA-N 1 1 400.552 2.416 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000743905149 1077218628 /nfs/dbraw/zinc/21/86/28/1077218628.db2.gz DBAQNWJJBKDKJZ-IBGZPJMESA-N 1 1 423.488 2.457 20 30 HEEDMO COC(=O)CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCOCC1 ZINC000744426483 1077390027 /nfs/dbraw/zinc/39/00/27/1077390027.db2.gz JNJAMMBCYNEWSP-KRWDZBQOSA-N 1 1 408.458 2.268 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000767036196 1079618689 /nfs/dbraw/zinc/61/86/89/1079618689.db2.gz CUCGOMBPVFTQPM-BCIXFCFJSA-N 1 1 410.562 2.105 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000767036196 1079618721 /nfs/dbraw/zinc/61/87/21/1079618721.db2.gz CUCGOMBPVFTQPM-BCIXFCFJSA-N 1 1 410.562 2.105 20 30 HEEDMO C#CC[N@H+](CCCOC(=O)NC(N)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000772176939 1079727110 /nfs/dbraw/zinc/72/71/10/1079727110.db2.gz ASJAATINQDZJGO-CQSZACIVSA-N 1 1 410.268 2.403 20 30 HEEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000767460498 1079885104 /nfs/dbraw/zinc/88/51/04/1079885104.db2.gz FVFKAEXEHGKUMM-WIYYLYMNSA-N 1 1 411.550 2.044 20 30 HEEDMO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)CC1 ZINC000767912198 1080225158 /nfs/dbraw/zinc/22/51/58/1080225158.db2.gz NWRVGLOLDBYGGW-XMMPIXPASA-N 1 1 405.542 2.308 20 30 HEEDMO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)CC1 ZINC000767912198 1080225166 /nfs/dbraw/zinc/22/51/66/1080225166.db2.gz NWRVGLOLDBYGGW-XMMPIXPASA-N 1 1 405.542 2.308 20 30 HEEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000785883149 1080275066 /nfs/dbraw/zinc/27/50/66/1080275066.db2.gz SVCKTXRQIOSNBL-UHFFFAOYSA-N 1 1 403.479 2.305 20 30 HEEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000785998224 1080357073 /nfs/dbraw/zinc/35/70/73/1080357073.db2.gz ZOUHBLQASDUUMZ-OWMRDYPQSA-N 1 1 403.548 2.172 20 30 HEEDMO COc1cccc([C@H](C#N)NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1OC ZINC000768151023 1080372324 /nfs/dbraw/zinc/37/23/24/1080372324.db2.gz CTOKFMYIKVKZRF-PZJWPPBQSA-N 1 1 408.502 2.373 20 30 HEEDMO Cc1[nH+]ccn1CCCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769085918 1080934846 /nfs/dbraw/zinc/93/48/46/1080934846.db2.gz VBKFXKAWUVQKTP-UHFFFAOYSA-N 1 1 404.492 2.034 20 30 HEEDMO COc1ccc(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1C#N ZINC000746667614 1081104109 /nfs/dbraw/zinc/10/41/09/1081104109.db2.gz BOCZZPHKTHYLFG-IBGZPJMESA-N 1 1 407.474 2.338 20 30 HEEDMO COc1ccc(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1C#N ZINC000746667614 1081104118 /nfs/dbraw/zinc/10/41/18/1081104118.db2.gz BOCZZPHKTHYLFG-IBGZPJMESA-N 1 1 407.474 2.338 20 30 HEEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(C#N)c(C#N)n1)CC2 ZINC001164710801 720147878 /nfs/dbraw/zinc/14/78/78/720147878.db2.gz CUNGQCYJUNGSOR-SFHVURJKSA-N 1 1 403.490 2.122 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837191 720637519 /nfs/dbraw/zinc/63/75/19/720637519.db2.gz HNEAUCAKPFDWMH-XGHQBKJUSA-N 1 1 404.522 2.357 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742653 720830280 /nfs/dbraw/zinc/83/02/80/720830280.db2.gz QGWMWVGPZCIXKV-SLFFLAALSA-N 1 1 409.538 2.321 20 30 HEEDMO N#Cc1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755432 720871352 /nfs/dbraw/zinc/87/13/52/720871352.db2.gz WUQFOZCEHVPKFO-REWPJTCUSA-N 1 1 404.518 2.498 20 30 HEEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C5(C#N)CCOCC5)cn4)C[C@H]3C2)cn1 ZINC001164761329 721187522 /nfs/dbraw/zinc/18/75/22/721187522.db2.gz AOJVBXYOGILAJL-VQTJNVASSA-N 1 1 406.534 2.345 20 30 HEEDMO Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(C#N)c(C)c1Cl ZINC001164872828 721262571 /nfs/dbraw/zinc/26/25/71/721262571.db2.gz GERXNZTVCMJBBW-UHFFFAOYSA-N 1 1 419.957 2.231 20 30 HEEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164790449 721454800 /nfs/dbraw/zinc/45/48/00/721454800.db2.gz ZCBNZLVACZQMGF-LJQANCHMSA-N 1 1 415.538 2.091 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811453 721588904 /nfs/dbraw/zinc/58/89/04/721588904.db2.gz XOFFKTYIVVQBAO-QHAWAJNXSA-N 1 1 403.490 2.046 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811453 721588905 /nfs/dbraw/zinc/58/89/05/721588905.db2.gz XOFFKTYIVVQBAO-QHAWAJNXSA-N 1 1 403.490 2.046 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164920827 721870707 /nfs/dbraw/zinc/87/07/07/721870707.db2.gz ASVDHXUELXKGPD-MOPGFXCFSA-N 1 1 414.626 2.312 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164920827 721870709 /nfs/dbraw/zinc/87/07/09/721870709.db2.gz ASVDHXUELXKGPD-MOPGFXCFSA-N 1 1 414.626 2.312 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164920829 721870835 /nfs/dbraw/zinc/87/08/35/721870835.db2.gz ASVDHXUELXKGPD-RBUKOAKNSA-N 1 1 414.626 2.312 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164920829 721870837 /nfs/dbraw/zinc/87/08/37/721870837.db2.gz ASVDHXUELXKGPD-RBUKOAKNSA-N 1 1 414.626 2.312 20 30 HEEDMO CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000746025496 1078741935 /nfs/dbraw/zinc/74/19/35/1078741935.db2.gz OWTDCRFWSHGBIK-HJBZLIQNSA-N 1 1 419.551 2.200 20 30 HEEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2)C[C@@H](C)O1 ZINC000746286353 1078836391 /nfs/dbraw/zinc/83/63/91/1078836391.db2.gz SIJGICRSLYFZAE-RRLOWTIWSA-N 1 1 412.490 2.151 20 30 HEEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766350765 1078901280 /nfs/dbraw/zinc/90/12/80/1078901280.db2.gz PDIJCVZKXAEBQW-QFBILLFUSA-N 1 1 413.499 2.043 20 30 HEEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000766400034 1078952756 /nfs/dbraw/zinc/95/27/56/1078952756.db2.gz LWWITXACVBBJHA-KRWDZBQOSA-N 1 1 415.515 2.290 20 30 HEEDMO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1C#N ZINC000771180042 1079211738 /nfs/dbraw/zinc/21/17/38/1079211738.db2.gz HMCVVZVWFWVTNZ-HNNXBMFYSA-N 1 1 402.499 2.274 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@H]1CCCN(C(=O)OCC)CC1)C2 ZINC001169684566 1079367257 /nfs/dbraw/zinc/36/72/57/1079367257.db2.gz FMLSLWLEAADOGQ-SIKLNZKXSA-N 1 1 406.571 2.181 20 30 HEEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000738316336 1075988339 /nfs/dbraw/zinc/98/83/39/1075988339.db2.gz CSRFGHHDVMEBJB-OALUTQOASA-N 1 1 405.502 2.410 20 30 HEEDMO C#CCC[NH+]1CCC(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 ZINC000740738767 1076229525 /nfs/dbraw/zinc/22/95/25/1076229525.db2.gz LVDCQWUYYJVUGI-UHFFFAOYSA-N 1 1 400.500 2.471 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437057 1076527429 /nfs/dbraw/zinc/52/74/29/1076527429.db2.gz HWQQRMDPYTXMQE-PGRDOPGGSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437057 1076527435 /nfs/dbraw/zinc/52/74/35/1076527435.db2.gz HWQQRMDPYTXMQE-PGRDOPGGSA-N 1 1 421.497 2.043 20 30 HEEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000742294633 1076820378 /nfs/dbraw/zinc/82/03/78/1076820378.db2.gz XOLVMPJCMNAULQ-UHFFFAOYSA-N 1 1 404.286 2.286 20 30 HEEDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC000742927676 1076898561 /nfs/dbraw/zinc/89/85/61/1076898561.db2.gz WZKBZVUCDFVYDU-SFHVURJKSA-N 1 1 408.502 2.273 20 30 HEEDMO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000743108997 1076957702 /nfs/dbraw/zinc/95/77/02/1076957702.db2.gz GWXDUFZOFLGSQH-UZYVYHOESA-N 1 1 407.540 2.059 20 30 HEEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 ZINC000743359760 1077031951 /nfs/dbraw/zinc/03/19/51/1077031951.db2.gz WJUFBIMSIBLUMD-JJXNMMKVSA-N 1 1 421.567 2.351 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000743378089 1077044709 /nfs/dbraw/zinc/04/47/09/1077044709.db2.gz VSFYHVIVCUEDFW-XUZZJYLKSA-N 1 1 417.513 2.489 20 30 HEEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)NCc1ccccc1F ZINC000744442721 1077396723 /nfs/dbraw/zinc/39/67/23/1077396723.db2.gz IZTNNXSZDZVLFG-HNNXBMFYSA-N 1 1 414.481 2.129 20 30 HEEDMO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000744993337 1077698145 /nfs/dbraw/zinc/69/81/45/1077698145.db2.gz JIOLWFRLOFUUGY-SJORKVTESA-N 1 1 417.506 2.497 20 30 HEEDMO C#CCOc1ccc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000745210159 1077772160 /nfs/dbraw/zinc/77/21/60/1077772160.db2.gz QTLSOOLUYDGFSK-UHFFFAOYSA-N 1 1 414.502 2.007 20 30 HEEDMO C#CCCCCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772241944 1079782224 /nfs/dbraw/zinc/78/22/24/1079782224.db2.gz JEIJHLQSKFJINZ-HXUWFJFHSA-N 1 1 407.518 2.497 20 30 HEEDMO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000767319159 1079817097 /nfs/dbraw/zinc/81/70/97/1079817097.db2.gz DPVHQYBGMSDAMG-ZGRWHYIRSA-N 1 1 407.474 2.124 20 30 HEEDMO COC(=O)/C=C/c1ccc(OCC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000767319159 1079817100 /nfs/dbraw/zinc/81/71/00/1079817100.db2.gz DPVHQYBGMSDAMG-ZGRWHYIRSA-N 1 1 407.474 2.124 20 30 HEEDMO C#CCCCCNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772483852 1079899871 /nfs/dbraw/zinc/89/98/71/1079899871.db2.gz LXILKDZKPLARNX-FQEVSTJZSA-N 1 1 407.518 2.497 20 30 HEEDMO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)c1C ZINC000785652210 1080104651 /nfs/dbraw/zinc/10/46/51/1080104651.db2.gz IBPJXSPRUHVUMU-RTBURBONSA-N 1 1 415.534 2.350 20 30 HEEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000767856912 1080179946 /nfs/dbraw/zinc/17/99/46/1080179946.db2.gz DCDDRPKIGQPMEW-FQEVSTJZSA-N 1 1 424.570 2.441 20 30 HEEDMO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2cccc(C)c2)CC1 ZINC000767912196 1080225050 /nfs/dbraw/zinc/22/50/50/1080225050.db2.gz NWRVGLOLDBYGGW-DEOSSOPVSA-N 1 1 405.542 2.308 20 30 HEEDMO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(C)c2)CC1 ZINC000767912196 1080225058 /nfs/dbraw/zinc/22/50/58/1080225058.db2.gz NWRVGLOLDBYGGW-DEOSSOPVSA-N 1 1 405.542 2.308 20 30 HEEDMO Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CC[NH+](C)CC3)c2=O)c(C)o1 ZINC000767959899 1080252975 /nfs/dbraw/zinc/25/29/75/1080252975.db2.gz VNQKGFOLQHBFEI-UHFFFAOYSA-N 1 1 413.543 2.115 20 30 HEEDMO COc1cccc([C@H](C#N)NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1OC ZINC000768151022 1080372418 /nfs/dbraw/zinc/37/24/18/1080372418.db2.gz CTOKFMYIKVKZRF-FPOVZHCZSA-N 1 1 408.502 2.373 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000743915116 1080855341 /nfs/dbraw/zinc/85/53/41/1080855341.db2.gz ZTPDRAFYRGMMKQ-WMZOPIPTSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCOc1ccccc1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769108408 1080936939 /nfs/dbraw/zinc/93/69/39/1080936939.db2.gz HXGYMTLSGGDFBY-VXKWHMMOSA-N 1 1 407.514 2.381 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769115857 1080940883 /nfs/dbraw/zinc/94/08/83/1080940883.db2.gz QNSYHRQRYCPVOM-OAHLLOKOSA-N 1 1 419.478 2.039 20 30 HEEDMO C#CCCOc1ccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000769316698 1081040352 /nfs/dbraw/zinc/04/03/52/1081040352.db2.gz NPBVGMDLCXOXTM-UHFFFAOYSA-N 1 1 402.502 2.382 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164743795 720619095 /nfs/dbraw/zinc/61/90/95/720619095.db2.gz QSWSUVQNVTZGTE-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164743795 720619114 /nfs/dbraw/zinc/61/91/14/720619114.db2.gz QSWSUVQNVTZGTE-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841548 720634203 /nfs/dbraw/zinc/63/42/03/720634203.db2.gz SVSJZTMXFSOUNA-NLWGTHIKSA-N 1 1 408.506 2.314 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164737602 720691929 /nfs/dbraw/zinc/69/19/29/720691929.db2.gz GNHRVLTUPPYFCE-CABCVRRESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164737602 720691934 /nfs/dbraw/zinc/69/19/34/720691934.db2.gz GNHRVLTUPPYFCE-CABCVRRESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl ZINC001164738201 720701663 /nfs/dbraw/zinc/70/16/63/720701663.db2.gz ISOUUIVZGJQWSQ-CABCVRRESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl ZINC001164738201 720701672 /nfs/dbraw/zinc/70/16/72/720701672.db2.gz ISOUUIVZGJQWSQ-CABCVRRESA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl ZINC001164738206 720701976 /nfs/dbraw/zinc/70/19/76/720701976.db2.gz ISOUUIVZGJQWSQ-HUUCEWRRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl ZINC001164738206 720701987 /nfs/dbraw/zinc/70/19/87/720701987.db2.gz ISOUUIVZGJQWSQ-HUUCEWRRSA-N 1 1 406.824 2.283 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC[C@@H]2C1 ZINC001164854818 720858090 /nfs/dbraw/zinc/85/80/90/720858090.db2.gz KXENGLUTYWSMCY-CABCVRRESA-N 1 1 400.857 2.325 20 30 HEEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C5(C#N)CCOCC5)cn4)C[C@@H]3C2)cn1 ZINC001164761327 721185602 /nfs/dbraw/zinc/18/56/02/721185602.db2.gz AOJVBXYOGILAJL-PMACEKPBSA-N 1 1 406.534 2.345 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809908 721577385 /nfs/dbraw/zinc/57/73/85/721577385.db2.gz YAHJBPVRJFBUFV-QHAWAJNXSA-N 1 1 407.518 2.261 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809908 721577387 /nfs/dbraw/zinc/57/73/87/721577387.db2.gz YAHJBPVRJFBUFV-QHAWAJNXSA-N 1 1 407.518 2.261 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038683 721913703 /nfs/dbraw/zinc/91/37/03/721913703.db2.gz OCUAIYGLQDNYNO-GOSISDBHSA-N 1 1 401.583 2.398 20 30 HEEDMO N#Cc1cnc2cc[nH]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c1-2 ZINC001164945103 721977681 /nfs/dbraw/zinc/97/76/81/721977681.db2.gz CHMMHLOCSBOVCW-UHFFFAOYSA-N 1 1 400.486 2.406 20 30 HEEDMO N#Cc1cnc2cc[nH]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c1-2 ZINC001164945103 721977684 /nfs/dbraw/zinc/97/76/84/721977684.db2.gz CHMMHLOCSBOVCW-UHFFFAOYSA-N 1 1 400.486 2.406 20 30 HEEDMO C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746260223 1078827296 /nfs/dbraw/zinc/82/72/96/1078827296.db2.gz TZVGFRAEVJVOGS-SJLPKXTDSA-N 1 1 407.308 2.455 20 30 HEEDMO C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746260223 1078827298 /nfs/dbraw/zinc/82/72/98/1078827298.db2.gz TZVGFRAEVJVOGS-SJLPKXTDSA-N 1 1 407.308 2.455 20 30 HEEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000065441392 1078886798 /nfs/dbraw/zinc/88/67/98/1078886798.db2.gz KWIVFTAILFAYRH-MRXNPFEDSA-N 1 1 412.494 2.368 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C(C)C)C1CCCC1 ZINC001109735618 1079033749 /nfs/dbraw/zinc/03/37/49/1079033749.db2.gz OQYXXRPDNKZDEA-MJCUULBUSA-N 1 1 403.567 2.479 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C(C)C)C1CCCC1 ZINC001109735618 1079033754 /nfs/dbraw/zinc/03/37/54/1079033754.db2.gz OQYXXRPDNKZDEA-MJCUULBUSA-N 1 1 403.567 2.479 20 30 HEEDMO Cc1ccn2ncc(C(=O)OCCC#Cc3ccc(C[NH+]4CCOCC4)cc3)c2n1 ZINC000770858332 1079041522 /nfs/dbraw/zinc/04/15/22/1079041522.db2.gz MXLICKUGHAXMSF-UHFFFAOYSA-N 1 1 404.470 2.469 20 30 HEEDMO Cc1nn(C)c(C)c1OCC(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770859897 1079043273 /nfs/dbraw/zinc/04/32/73/1079043273.db2.gz XJTVWZBYCGPCFV-UHFFFAOYSA-N 1 1 411.502 2.233 20 30 HEEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000771124856 1079144051 /nfs/dbraw/zinc/14/40/51/1079144051.db2.gz MDDFYTGLUPYZPG-UZYVYHOESA-N 1 1 407.540 2.057 20 30 HEEDMO C#CCNc1nc(NC[C@@H](O)c2ccccc2)nc(NC[C@@H](O)c2ccccc2)[nH+]1 ZINC000804321072 1079256990 /nfs/dbraw/zinc/25/69/90/1079256990.db2.gz CZEPDMSFRFWJAK-RTBURBONSA-N 1 1 404.474 2.208 20 30 HEEDMO C=CC[C@H](Nc1nc(C[N@H+]2CC[C@@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(=O)OC ZINC001169836839 1079437132 /nfs/dbraw/zinc/43/71/32/1079437132.db2.gz PSRXRAVRUFUIIA-QAPCUYQASA-N 1 1 418.538 2.410 20 30 HEEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000737995796 1075948606 /nfs/dbraw/zinc/94/86/06/1075948606.db2.gz TVINXIXSUNHDCW-GOSISDBHSA-N 1 1 420.579 2.084 20 30 HEEDMO C#CC[NH+]1CCC(C(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC1 ZINC000741610704 1076565276 /nfs/dbraw/zinc/56/52/76/1076565276.db2.gz VNAZBJRIPHTLHB-UHFFFAOYSA-N 1 1 422.495 2.419 20 30 HEEDMO C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742542958 1076850220 /nfs/dbraw/zinc/85/02/20/1076850220.db2.gz BICFWFHOQNMPDL-IAGOWNOFSA-N 1 1 420.579 2.132 20 30 HEEDMO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 ZINC000743491286 1077060627 /nfs/dbraw/zinc/06/06/27/1077060627.db2.gz DOXYEALNMMKXQG-UHFFFAOYSA-N 1 1 422.506 2.281 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)CC1 ZINC000744364536 1077372104 /nfs/dbraw/zinc/37/21/04/1077372104.db2.gz KZNZZPIBJMGUPJ-UHFFFAOYSA-N 1 1 419.525 2.335 20 30 HEEDMO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000744442129 1077396071 /nfs/dbraw/zinc/39/60/71/1077396071.db2.gz AENFPWUAFRBEHU-HNNXBMFYSA-N 1 1 412.490 2.320 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1F ZINC000744748953 1077567396 /nfs/dbraw/zinc/56/73/96/1077567396.db2.gz PLEXPPMBJQEEMW-SJORKVTESA-N 1 1 409.527 2.377 20 30 HEEDMO C=C(Cl)CNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772226534 1079749936 /nfs/dbraw/zinc/74/99/36/1079749936.db2.gz ADXTXKBRILAPLJ-QGZVFWFLSA-N 1 1 401.898 2.446 20 30 HEEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cn1 ZINC000772471569 1079893253 /nfs/dbraw/zinc/89/32/53/1079893253.db2.gz KZNYKDFDBXZMLQ-UHFFFAOYSA-N 1 1 418.457 2.490 20 30 HEEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000767752889 1080087047 /nfs/dbraw/zinc/08/70/47/1080087047.db2.gz GHWRAQINRMKYGB-UHFFFAOYSA-N 1 1 417.348 2.499 20 30 HEEDMO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)c1C ZINC000785652204 1080104824 /nfs/dbraw/zinc/10/48/24/1080104824.db2.gz IBPJXSPRUHVUMU-MOPGFXCFSA-N 1 1 415.534 2.350 20 30 HEEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000767856917 1080179629 /nfs/dbraw/zinc/17/96/29/1080179629.db2.gz DCDDRPKIGQPMEW-HXUWFJFHSA-N 1 1 424.570 2.441 20 30 HEEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000768214603 1080416838 /nfs/dbraw/zinc/41/68/38/1080416838.db2.gz GXDQDIWJGDBOIC-INIZCTEOSA-N 1 1 409.515 2.365 20 30 HEEDMO C=CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1OC ZINC000746619564 1080946469 /nfs/dbraw/zinc/94/64/69/1080946469.db2.gz RVIBFWNZPJQJFB-UGAXZCSASA-N 1 1 402.491 2.369 20 30 HEEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000769317618 1081041223 /nfs/dbraw/zinc/04/12/23/1081041223.db2.gz UJKPGTXICHMVLT-SFHVURJKSA-N 1 1 403.490 2.271 20 30 HEEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C#N)c(C#N)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833557 720545425 /nfs/dbraw/zinc/54/54/25/720545425.db2.gz AAKBNPRYIYHGRZ-RVKKMQEKSA-N 1 1 410.913 2.448 20 30 HEEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737097 720708802 /nfs/dbraw/zinc/70/88/02/720708802.db2.gz DEMCWFWGURMQLQ-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737097 720708809 /nfs/dbraw/zinc/70/88/09/720708809.db2.gz DEMCWFWGURMQLQ-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739464 720736588 /nfs/dbraw/zinc/73/65/88/720736588.db2.gz ITFFRXZSANIQCQ-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739464 720736599 /nfs/dbraw/zinc/73/65/99/720736599.db2.gz ITFFRXZSANIQCQ-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@@H]2C1 ZINC001164852701 720853386 /nfs/dbraw/zinc/85/33/86/720853386.db2.gz FMRVAUVLRIUWLX-CZUORRHYSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164852660 720867487 /nfs/dbraw/zinc/86/74/87/720867487.db2.gz FDNFPHQHDHNYOA-LPHOPBHVSA-N 1 1 415.538 2.111 20 30 HEEDMO N#Cc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747308 720877668 /nfs/dbraw/zinc/87/76/68/720877668.db2.gz BBWFOUZLIPNTRB-REWPJTCUSA-N 1 1 404.518 2.498 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164863001 720888100 /nfs/dbraw/zinc/88/81/00/720888100.db2.gz SEMLPRACZFRUEC-YWZLYKJASA-N 1 1 411.462 2.188 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164884494 721413738 /nfs/dbraw/zinc/41/37/38/721413738.db2.gz DJKUUTYBYUAYDV-UZLBHIALSA-N 1 1 404.946 2.076 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@@H]2CCCO[C@H]12 ZINC001164799323 721585740 /nfs/dbraw/zinc/58/57/40/721585740.db2.gz ASEQKNWUABZIOV-VSKRKVRLSA-N 1 1 405.502 2.289 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@@H]2CCCO[C@H]12 ZINC001164799323 721585743 /nfs/dbraw/zinc/58/57/43/721585743.db2.gz ASEQKNWUABZIOV-VSKRKVRLSA-N 1 1 405.502 2.289 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966453 722062095 /nfs/dbraw/zinc/06/20/95/722062095.db2.gz UBVUDISUNUHTOI-UHFFFAOYSA-N 1 1 417.517 2.296 20 30 HEEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)c(Cl)cc2C#N)CC3)CC1 ZINC001164997225 722233775 /nfs/dbraw/zinc/23/37/75/722233775.db2.gz ODNHWEOWKUQVOL-UHFFFAOYSA-N 1 1 418.332 2.407 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000770299145 1078822842 /nfs/dbraw/zinc/82/28/42/1078822842.db2.gz RHIAXSNHAUZYEW-ZLGUVYLKSA-N 1 1 406.486 2.116 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000770299145 1078822845 /nfs/dbraw/zinc/82/28/45/1078822845.db2.gz RHIAXSNHAUZYEW-ZLGUVYLKSA-N 1 1 406.486 2.116 20 30 HEEDMO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cn1 ZINC000746404596 1078901911 /nfs/dbraw/zinc/90/19/11/1078901911.db2.gz YKNVFJHXXFZMPK-SFHVURJKSA-N 1 1 414.897 2.169 20 30 HEEDMO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000746404596 1078901917 /nfs/dbraw/zinc/90/19/17/1078901917.db2.gz YKNVFJHXXFZMPK-SFHVURJKSA-N 1 1 414.897 2.169 20 30 HEEDMO CC(=O)N[C@@H](C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000770729553 1078956027 /nfs/dbraw/zinc/95/60/27/1078956027.db2.gz AENFBENQNHYJJH-HSZRJFAPSA-N 1 1 412.530 2.499 20 30 HEEDMO C[C@H](NC(=O)c1ccoc1)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770858300 1079041532 /nfs/dbraw/zinc/04/15/32/1079041532.db2.gz LRSHCSGTJFYNAC-SFHVURJKSA-N 1 1 410.470 2.215 20 30 HEEDMO COc1cccc([C@@H](C#N)NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1OC ZINC000746227068 1079105994 /nfs/dbraw/zinc/10/59/94/1079105994.db2.gz ZZTZDCCQIFOVJI-HXUWFJFHSA-N 1 1 408.502 2.446 20 30 HEEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1 ZINC001169148400 1079165730 /nfs/dbraw/zinc/16/57/30/1079165730.db2.gz FHUFYOJSVRJQEN-FQEVSTJZSA-N 1 1 413.543 2.464 20 30 HEEDMO C#CCNc1nc(NC[C@H](O)c2ccccc2)nc(NC[C@H](O)c2ccccc2)[nH+]1 ZINC000804321071 1079257117 /nfs/dbraw/zinc/25/71/17/1079257117.db2.gz CZEPDMSFRFWJAK-OALUTQOASA-N 1 1 404.474 2.208 20 30 HEEDMO CS(=O)(=O)C1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001169898113 1079469113 /nfs/dbraw/zinc/46/91/13/1079469113.db2.gz WCOMQMNDIQFAQK-UHFFFAOYSA-N 1 1 404.536 2.500 20 30 HEEDMO C=CCn1c(-c2ccncc2)nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738206638 1075973555 /nfs/dbraw/zinc/97/35/55/1075973555.db2.gz AGYVVMUCXIHRDD-LJQANCHMSA-N 1 1 413.595 2.331 20 30 HEEDMO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000771778923 1079500756 /nfs/dbraw/zinc/50/07/56/1079500756.db2.gz RSPVOGWFZNCXMY-GFCCVEGCSA-N 1 1 416.503 2.219 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741276797 1076441861 /nfs/dbraw/zinc/44/18/61/1076441861.db2.gz AWBSUYSDNJDEPF-PGRDOPGGSA-N 1 1 420.513 2.195 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741276797 1076441871 /nfs/dbraw/zinc/44/18/71/1076441871.db2.gz AWBSUYSDNJDEPF-PGRDOPGGSA-N 1 1 420.513 2.195 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 ZINC000741680899 1076584142 /nfs/dbraw/zinc/58/41/42/1076584142.db2.gz KZPBSRTURDENCX-LJQANCHMSA-N 1 1 414.575 2.106 20 30 HEEDMO C[C@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742519406 1076847260 /nfs/dbraw/zinc/84/72/60/1076847260.db2.gz QZDRNLSQIDHSGB-MRXNPFEDSA-N 1 1 420.579 2.275 20 30 HEEDMO C#CCOc1ccc(Br)cc1C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000742699909 1076868622 /nfs/dbraw/zinc/86/86/22/1076868622.db2.gz LAQCHNWNXAIMNN-UHFFFAOYSA-N 1 1 403.342 2.269 20 30 HEEDMO C[C@@H]1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC[N@H+]1C ZINC000743108957 1076957886 /nfs/dbraw/zinc/95/78/86/1076957886.db2.gz GBZHTPOIXZUNOW-WKCPZHCVSA-N 1 1 407.540 2.104 20 30 HEEDMO CC(=NNS(=O)(=O)CCc1ccccc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000743449489 1077051558 /nfs/dbraw/zinc/05/15/58/1077051558.db2.gz YYUYHWBGGZPSNE-UHFFFAOYSA-N 1 1 417.531 2.111 20 30 HEEDMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 ZINC000743735733 1077105567 /nfs/dbraw/zinc/10/55/67/1077105567.db2.gz QFXPNSQPJUTOJQ-UHFFFAOYSA-N 1 1 422.533 2.104 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000744370776 1077370348 /nfs/dbraw/zinc/37/03/48/1077370348.db2.gz AZKAVXDPTJOKKD-KDURUIRLSA-N 1 1 417.575 2.134 20 30 HEEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000744442217 1077395897 /nfs/dbraw/zinc/39/58/97/1077395897.db2.gz DMDDCMRTGKYHDT-HNNXBMFYSA-N 1 1 407.474 2.183 20 30 HEEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)NCCc1ccccc1 ZINC000744442924 1077396472 /nfs/dbraw/zinc/39/64/72/1077396472.db2.gz OCCVHOKEFWPREL-KRWDZBQOSA-N 1 1 410.518 2.032 20 30 HEEDMO CCOC(=O)CON=C(C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C)c1ccn[nH]1 ZINC000772411442 1079862758 /nfs/dbraw/zinc/86/27/58/1079862758.db2.gz WZCIYWYZXORUIT-UHFFFAOYSA-N 1 1 413.478 2.236 20 30 HEEDMO CN1c2ccccc2C(C)(C)C1=CC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000746498186 1080885379 /nfs/dbraw/zinc/88/53/79/1080885379.db2.gz YTHFPONWRNZPJX-UOCRBVKVSA-N 1 1 410.518 2.177 20 30 HEEDMO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000328605214 569418048 /nfs/dbraw/zinc/41/80/48/569418048.db2.gz MMPXMOGZWZSKBR-OAHLLOKOSA-N 1 1 416.478 2.478 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@H]2C1 ZINC001164857151 720847708 /nfs/dbraw/zinc/84/77/08/720847708.db2.gz XURBXOLOXREXRP-BBRMVZONSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC[C@@H]2C1 ZINC001164857355 720856957 /nfs/dbraw/zinc/85/69/57/720856957.db2.gz QJRAKNICUYQPFU-CZUORRHYSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@H]2C1 ZINC001164853580 720858155 /nfs/dbraw/zinc/85/81/55/720858155.db2.gz HPYMWKCBXUHWIX-XJKSGUPXSA-N 1 1 400.857 2.325 20 30 HEEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C5(C#N)CCOCC5)cn4)C[C@H]3C2)cn1 ZINC001164761330 721187409 /nfs/dbraw/zinc/18/74/09/721187409.db2.gz AOJVBXYOGILAJL-WOJBJXKFSA-N 1 1 406.534 2.345 20 30 HEEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(C#N)cc4C#N)C3)O2)CC1 ZINC001164890504 721409581 /nfs/dbraw/zinc/40/95/81/721409581.db2.gz SUHGZGDYNGXOTO-WIYYLYMNSA-N 1 1 414.941 2.244 20 30 HEEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(C#N)cc4C#N)C3)O2)CC1 ZINC001164890503 721409722 /nfs/dbraw/zinc/40/97/22/721409722.db2.gz SUHGZGDYNGXOTO-RXVVDRJESA-N 1 1 414.941 2.244 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809907 721577937 /nfs/dbraw/zinc/57/79/37/721577937.db2.gz YAHJBPVRJFBUFV-PCCBWWKXSA-N 1 1 407.518 2.261 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809907 721577939 /nfs/dbraw/zinc/57/79/39/721577939.db2.gz YAHJBPVRJFBUFV-PCCBWWKXSA-N 1 1 407.518 2.261 20 30 HEEDMO Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(C#N)c(C)c1Cl ZINC001164997023 722229683 /nfs/dbraw/zinc/22/96/83/722229683.db2.gz MCTHNSAZNCNZPW-UHFFFAOYSA-N 1 1 411.941 2.371 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000746249137 1078831399 /nfs/dbraw/zinc/83/13/99/1078831399.db2.gz UMTWTKUXFORXCH-RJQWJWKUSA-N 1 1 408.502 2.215 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000746249139 1078831428 /nfs/dbraw/zinc/83/14/28/1078831428.db2.gz UMTWTKUXFORXCH-SBAQPUELSA-N 1 1 408.502 2.215 20 30 HEEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746329144 1078860530 /nfs/dbraw/zinc/86/05/30/1078860530.db2.gz CSKRIXVMKJQEKE-ZABCRHKISA-N 1 1 410.518 2.274 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766350773 1078901151 /nfs/dbraw/zinc/90/11/51/1078901151.db2.gz PDIJCVZKXAEBQW-VQIMIIECSA-N 1 1 413.499 2.043 20 30 HEEDMO N#CCn1c(CN(CC[NH+]2CCOCC2)c2ccccc2)nc2ccccc2c1=O ZINC000746463945 1079011535 /nfs/dbraw/zinc/01/15/35/1079011535.db2.gz ZWQROUKMSOPLFY-UHFFFAOYSA-N 1 1 403.486 2.259 20 30 HEEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000746466027 1079024922 /nfs/dbraw/zinc/02/49/22/1079024922.db2.gz NDPOAKOZCOPKFO-KRWDZBQOSA-N 1 1 416.522 2.420 20 30 HEEDMO CC[NH+](CC)CC#C[C@H](C)OC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000770808846 1079029833 /nfs/dbraw/zinc/02/98/33/1079029833.db2.gz XUFPZUYVUJKJCE-AWEZNQCLSA-N 1 1 416.337 2.500 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CCCCC1 ZINC001109735527 1079033650 /nfs/dbraw/zinc/03/36/50/1079033650.db2.gz LLUJRJRXHVNUAF-MJCUULBUSA-N 1 1 403.567 2.338 20 30 HEEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CCCCC1 ZINC001109735527 1079033654 /nfs/dbraw/zinc/03/36/54/1079033654.db2.gz LLUJRJRXHVNUAF-MJCUULBUSA-N 1 1 403.567 2.338 20 30 HEEDMO Cn1nnc2cc(C(=O)OCCC#Cc3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC000770860660 1079042755 /nfs/dbraw/zinc/04/27/55/1079042755.db2.gz RNPUDARNQMNSEY-UHFFFAOYSA-N 1 1 404.470 2.399 20 30 HEEDMO C#CC[C@]1(C(=O)N2CC[NH+](CCCCCO)CC2)CCCN1C(=O)OC(C)(C)C ZINC001169049531 1079115961 /nfs/dbraw/zinc/11/59/61/1079115961.db2.gz JSZZNUYPUUYLJR-JOCHJYFZSA-N 1 1 407.555 2.086 20 30 HEEDMO COc1cc(C[NH+]2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)cc(OC)c1 ZINC000766635758 1079208952 /nfs/dbraw/zinc/20/89/52/1079208952.db2.gz BPMUZMSQTWOXQG-UHFFFAOYSA-N 1 1 408.502 2.001 20 30 HEEDMO CC[N@@H+](CCC1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1)CC1CC1 ZINC000771432350 1079340619 /nfs/dbraw/zinc/34/06/19/1079340619.db2.gz MBWSPMZPRCUQPR-MRCUWXFGSA-N 1 1 417.554 2.056 20 30 HEEDMO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC000738025769 1075952797 /nfs/dbraw/zinc/95/27/97/1075952797.db2.gz ZLVZDLXYOSPWRB-DEOSSOPVSA-N 1 1 417.513 2.491 20 30 HEEDMO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000739126646 1076048490 /nfs/dbraw/zinc/04/84/90/1076048490.db2.gz NBCCIJMYLCEOEC-GCJKJVERSA-N 1 1 420.513 2.365 20 30 HEEDMO COC(=O)[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000739994645 1076091146 /nfs/dbraw/zinc/09/11/46/1076091146.db2.gz MBUQAFOPVMTPBY-VXKWHMMOSA-N 1 1 420.513 2.259 20 30 HEEDMO CC[NH+]1CCN(C(=O)CC2CCN([C@@H](C(=O)OC)c3ccc(C#N)cc3)CC2)CC1 ZINC000739915539 1076092579 /nfs/dbraw/zinc/09/25/79/1076092579.db2.gz QOFUIWHPNDCUDN-JOCHJYFZSA-N 1 1 412.534 2.039 20 30 HEEDMO CCOC(=O)C[NH+]1CCC(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000740550231 1076191019 /nfs/dbraw/zinc/19/10/19/1076191019.db2.gz GRTXEYMURHDQDZ-UHFFFAOYSA-N 1 1 403.479 2.027 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC3(C#N)CCCCC3)cc2F)CC1 ZINC000741343258 1076486862 /nfs/dbraw/zinc/48/68/62/1076486862.db2.gz AIRYXCIAXJDWHZ-UHFFFAOYSA-N 1 1 416.497 2.467 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2F)CC1 ZINC000741346156 1076488896 /nfs/dbraw/zinc/48/88/96/1076488896.db2.gz XUGQUABDXGJHGS-UHFFFAOYSA-N 1 1 424.476 2.312 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437059 1076527388 /nfs/dbraw/zinc/52/73/88/1076527388.db2.gz HWQQRMDPYTXMQE-XMSQKQJNSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437059 1076527396 /nfs/dbraw/zinc/52/73/96/1076527396.db2.gz HWQQRMDPYTXMQE-XMSQKQJNSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437052 1076527497 /nfs/dbraw/zinc/52/74/97/1076527497.db2.gz HWQQRMDPYTXMQE-AVRDEDQJSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741437052 1076527502 /nfs/dbraw/zinc/52/75/02/1076527502.db2.gz HWQQRMDPYTXMQE-AVRDEDQJSA-N 1 1 421.497 2.043 20 30 HEEDMO CC[N@H+]1CCC(=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)[C@H](C)C1 ZINC000741457645 1076535298 /nfs/dbraw/zinc/53/52/98/1076535298.db2.gz OPBJLHKRIIDGFW-CQSZACIVSA-N 1 1 400.552 2.489 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)CC1 ZINC000741683645 1076585165 /nfs/dbraw/zinc/58/51/65/1076585165.db2.gz YTUQSNLYMVDCFA-UHFFFAOYSA-N 1 1 411.546 2.476 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000743882087 1077169902 /nfs/dbraw/zinc/16/99/02/1077169902.db2.gz ZQYOPXANEVIRFV-IBGZPJMESA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000743890650 1077184691 /nfs/dbraw/zinc/18/46/91/1077184691.db2.gz QYKGTQHZXKQRKV-UHFFFAOYSA-N 1 1 409.461 2.163 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000743905758 1077219929 /nfs/dbraw/zinc/21/99/29/1077219929.db2.gz HEDPZSCCLMIMPB-LJQANCHMSA-N 1 1 423.488 2.457 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000744370959 1077370476 /nfs/dbraw/zinc/37/04/76/1077370476.db2.gz HGMUXNPLXGDYER-UHFFFAOYSA-N 1 1 403.548 2.032 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC000744366188 1077372330 /nfs/dbraw/zinc/37/23/30/1077372330.db2.gz GDACJTRZNOUNMV-QGZVFWFLSA-N 1 1 419.472 2.308 20 30 HEEDMO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000744993334 1077698169 /nfs/dbraw/zinc/69/81/69/1077698169.db2.gz JIOLWFRLOFUUGY-DLBZAZTESA-N 1 1 417.506 2.497 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cc[nH+]c1C ZINC000771878346 1079562467 /nfs/dbraw/zinc/56/24/67/1079562467.db2.gz YPJVMBDOFCGMJN-INIZCTEOSA-N 1 1 404.492 2.032 20 30 HEEDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000804355630 1079890915 /nfs/dbraw/zinc/89/09/15/1079890915.db2.gz DZFQYIGTFKXMBG-UHFFFAOYSA-N 1 1 404.471 2.403 20 30 HEEDMO C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCCn1cc[nH+]c1C ZINC000767549215 1079956981 /nfs/dbraw/zinc/95/69/81/1079956981.db2.gz PWPQWRMDARAFOC-QFIPXVFZSA-N 1 1 408.458 2.290 20 30 HEEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000746622259 1080925459 /nfs/dbraw/zinc/92/54/59/1080925459.db2.gz ABMYGHWQJMVFEW-SFHVURJKSA-N 1 1 413.543 2.239 20 30 HEEDMO C#CCOc1ccccc1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769108404 1080937182 /nfs/dbraw/zinc/93/71/82/1080937182.db2.gz HXGYMTLSGGDFBY-FCHUYYIVSA-N 1 1 407.514 2.381 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)CCOc2ccccc2I)CC1 ZINC000787283809 1081090631 /nfs/dbraw/zinc/09/06/31/1081090631.db2.gz PQANNUILHJWCFD-UHFFFAOYSA-N 1 1 412.271 2.228 20 30 HEEDMO COc1ccc(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1C#N ZINC000746667619 1081104204 /nfs/dbraw/zinc/10/42/04/1081104204.db2.gz BOCZZPHKTHYLFG-LJQANCHMSA-N 1 1 407.474 2.338 20 30 HEEDMO COc1ccc(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1C#N ZINC000746667619 1081104208 /nfs/dbraw/zinc/10/42/08/1081104208.db2.gz BOCZZPHKTHYLFG-LJQANCHMSA-N 1 1 407.474 2.338 20 30 HEEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164712926 720106570 /nfs/dbraw/zinc/10/65/70/720106570.db2.gz YOZFQPCUTZYKMY-LJQANCHMSA-N 1 1 408.506 2.259 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164743799 720617501 /nfs/dbraw/zinc/61/75/01/720617501.db2.gz QSWSUVQNVTZGTE-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164743799 720617514 /nfs/dbraw/zinc/61/75/14/720617514.db2.gz QSWSUVQNVTZGTE-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741413 720705079 /nfs/dbraw/zinc/70/50/79/720705079.db2.gz SZTVZBDTYOSTQJ-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741413 720705085 /nfs/dbraw/zinc/70/50/85/720705085.db2.gz SZTVZBDTYOSTQJ-KBPBESRZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737095 720707557 /nfs/dbraw/zinc/70/75/57/720707557.db2.gz DEMCWFWGURMQLQ-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737095 720707569 /nfs/dbraw/zinc/70/75/69/720707569.db2.gz DEMCWFWGURMQLQ-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739465 720737728 /nfs/dbraw/zinc/73/77/28/720737728.db2.gz ITFFRXZSANIQCQ-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739465 720737733 /nfs/dbraw/zinc/73/77/33/720737733.db2.gz ITFFRXZSANIQCQ-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2[nH]1 ZINC001164742461 720844651 /nfs/dbraw/zinc/84/46/51/720844651.db2.gz GPVFAAWDUVEJNT-PLMTUMEDSA-N 1 1 402.506 2.405 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC[C@H]2C1 ZINC001164852697 720853421 /nfs/dbraw/zinc/85/34/21/720853421.db2.gz FMRVAUVLRIUWLX-BBRMVZONSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC[C@H]2C1 ZINC001164854819 720858344 /nfs/dbraw/zinc/85/83/44/720858344.db2.gz KXENGLUTYWSMCY-GJZGRUSLSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)CC[C@H]2C1 ZINC001164854881 720867717 /nfs/dbraw/zinc/86/77/17/720867717.db2.gz LJVNIGAYXJFZJI-BBRMVZONSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164862996 720888058 /nfs/dbraw/zinc/88/80/58/720888058.db2.gz SEMLPRACZFRUEC-MGPUTAFESA-N 1 1 411.462 2.188 20 30 HEEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164894555 721392609 /nfs/dbraw/zinc/39/26/09/721392609.db2.gz YZOFHUOLPHAAEB-XXBNENTESA-N 1 1 406.534 2.267 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@H]2CCCO[C@@H]12 ZINC001164799321 721585980 /nfs/dbraw/zinc/58/59/80/721585980.db2.gz ASEQKNWUABZIOV-BHDDXSALSA-N 1 1 405.502 2.289 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)[C@H]2CCCO[C@@H]12 ZINC001164799321 721585982 /nfs/dbraw/zinc/58/59/82/721585982.db2.gz ASEQKNWUABZIOV-BHDDXSALSA-N 1 1 405.502 2.289 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811450 721588817 /nfs/dbraw/zinc/58/88/17/721588817.db2.gz XOFFKTYIVVQBAO-PCCBWWKXSA-N 1 1 403.490 2.046 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811450 721588818 /nfs/dbraw/zinc/58/88/18/721588818.db2.gz XOFFKTYIVVQBAO-PCCBWWKXSA-N 1 1 403.490 2.046 20 30 HEEDMO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164907442 721694534 /nfs/dbraw/zinc/69/45/34/721694534.db2.gz SRSWPBGANSDDAP-LJQANCHMSA-N 1 1 400.433 2.490 20 30 HEEDMO C=CCN1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC001165032220 721869100 /nfs/dbraw/zinc/86/91/00/721869100.db2.gz MEVKNCWUOFJQOQ-GOSISDBHSA-N 1 1 415.582 2.188 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164920830 721870815 /nfs/dbraw/zinc/87/08/15/721870815.db2.gz ASVDHXUELXKGPD-RTBURBONSA-N 1 1 414.626 2.312 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164920830 721870817 /nfs/dbraw/zinc/87/08/17/721870817.db2.gz ASVDHXUELXKGPD-RTBURBONSA-N 1 1 414.626 2.312 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ccc12 ZINC001164945981 721974953 /nfs/dbraw/zinc/97/49/53/721974953.db2.gz HUNOGVYLHLNJNC-UHFFFAOYSA-N 1 1 400.486 2.406 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ccc12 ZINC001164945981 721974955 /nfs/dbraw/zinc/97/49/55/721974955.db2.gz HUNOGVYLHLNJNC-UHFFFAOYSA-N 1 1 400.486 2.406 20 30 HEEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964605 722055643 /nfs/dbraw/zinc/05/56/43/722055643.db2.gz WAKRYJXNWWLYBE-UHFFFAOYSA-N 1 1 408.462 2.375 20 30 HEEDMO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000745471568 1078502402 /nfs/dbraw/zinc/50/24/02/1078502402.db2.gz YTDKCRUVKXXGJY-AEFFLSMTSA-N 1 1 420.579 2.130 20 30 HEEDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000745617061 1078560460 /nfs/dbraw/zinc/56/04/60/1078560460.db2.gz PQWKNEDQPKRXPM-UHFFFAOYSA-N 1 1 419.501 2.439 20 30 HEEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746208734 1078818559 /nfs/dbraw/zinc/81/85/59/1078818559.db2.gz OUJZRBFURSNVBT-GHVJWSGMSA-N 1 1 410.518 2.274 20 30 HEEDMO COc1cccc([C@H](C#N)NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1OC ZINC000746227066 1078821477 /nfs/dbraw/zinc/82/14/77/1078821477.db2.gz ZZTZDCCQIFOVJI-FQEVSTJZSA-N 1 1 408.502 2.446 20 30 HEEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746329143 1078860537 /nfs/dbraw/zinc/86/05/37/1078860537.db2.gz CSKRIXVMKJQEKE-VLZBMTSBSA-N 1 1 410.518 2.274 20 30 HEEDMO COc1cccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000770721059 1078948788 /nfs/dbraw/zinc/94/87/88/1078948788.db2.gz OYNITHURDAWTML-UHFFFAOYSA-N 1 1 410.449 2.379 20 30 HEEDMO COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000770721059 1078948796 /nfs/dbraw/zinc/94/87/96/1078948796.db2.gz OYNITHURDAWTML-UHFFFAOYSA-N 1 1 410.449 2.379 20 30 HEEDMO CNC(=O)c1cccc(C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000770730433 1078955656 /nfs/dbraw/zinc/95/56/56/1078955656.db2.gz NBBUUWKJGCENBU-UHFFFAOYSA-N 1 1 406.482 2.477 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000770857880 1079041980 /nfs/dbraw/zinc/04/19/80/1079041980.db2.gz DWKAWAQNBATPKK-UHFFFAOYSA-N 1 1 420.465 2.448 20 30 HEEDMO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC001168924358 1079077164 /nfs/dbraw/zinc/07/71/64/1079077164.db2.gz CSVZOXFEUHKOIO-UHFFFAOYSA-N 1 1 420.469 2.372 20 30 HEEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326309 1075981088 /nfs/dbraw/zinc/98/10/88/1075981088.db2.gz NDEDWVMRPWDOMR-KRWDZBQOSA-N 1 1 415.538 2.370 20 30 HEEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326309 1075981091 /nfs/dbraw/zinc/98/10/91/1075981091.db2.gz NDEDWVMRPWDOMR-KRWDZBQOSA-N 1 1 415.538 2.370 20 30 HEEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)ccc1OC ZINC000741088192 1076350562 /nfs/dbraw/zinc/35/05/62/1076350562.db2.gz NOPCMZOFRRXFQX-LJQANCHMSA-N 1 1 418.538 2.364 20 30 HEEDMO FC(F)(F)COc1ccccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000741757800 1076617087 /nfs/dbraw/zinc/61/70/87/1076617087.db2.gz QEJYTCQHZCITAR-UHFFFAOYSA-N 1 1 404.458 2.148 20 30 HEEDMO C[C@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742572640 1076852662 /nfs/dbraw/zinc/85/26/62/1076852662.db2.gz FHSQXIFRACOZIL-HZPDHXFCSA-N 1 1 420.579 2.130 20 30 HEEDMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC[N@H+]1C ZINC000743108960 1076957806 /nfs/dbraw/zinc/95/78/06/1076957806.db2.gz GBZHTPOIXZUNOW-YJRIJEEWSA-N 1 1 407.540 2.104 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000743376252 1077044461 /nfs/dbraw/zinc/04/44/61/1077044461.db2.gz KPBDYGJNGFFCBY-JOCHJYFZSA-N 1 1 417.513 2.486 20 30 HEEDMO C#CCCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000743972661 1077275500 /nfs/dbraw/zinc/27/55/00/1077275500.db2.gz JWAUBNYPIZQVBQ-UHFFFAOYSA-N 1 1 418.541 2.473 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000744366332 1077369791 /nfs/dbraw/zinc/36/97/91/1077369791.db2.gz MZEZEWUIOCPMBU-JZJYNLBNSA-N 1 1 402.458 2.099 20 30 HEEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000744442165 1077395832 /nfs/dbraw/zinc/39/58/32/1077395832.db2.gz BOECIOOWBSIPQS-AWEZNQCLSA-N 1 1 400.454 2.451 20 30 HEEDMO O=S(=O)(c1ccccc1N=NC1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000745200410 1077773096 /nfs/dbraw/zinc/77/30/96/1077773096.db2.gz CAYNIJYMBASIAN-UHFFFAOYSA-N 1 1 414.531 2.381 20 30 HEEDMO COCC[N@@H+](C)CCCC1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000766979404 1079575421 /nfs/dbraw/zinc/57/54/21/1079575421.db2.gz XYWZRIAHHNJGNB-UHFFFAOYSA-N 1 1 411.550 2.490 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000767036200 1079620500 /nfs/dbraw/zinc/62/05/00/1079620500.db2.gz CUCGOMBPVFTQPM-IFRHDIGASA-N 1 1 410.562 2.105 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000767036200 1079620511 /nfs/dbraw/zinc/62/05/11/1079620511.db2.gz CUCGOMBPVFTQPM-IFRHDIGASA-N 1 1 410.562 2.105 20 30 HEEDMO C#CCCCCNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772483854 1079899945 /nfs/dbraw/zinc/89/99/45/1079899945.db2.gz LXILKDZKPLARNX-HXUWFJFHSA-N 1 1 407.518 2.497 20 30 HEEDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000769305064 1081037219 /nfs/dbraw/zinc/03/72/19/1081037219.db2.gz HIEUKTNTFUFWKJ-UHFFFAOYSA-N 1 1 400.523 2.270 20 30 HEEDMO COC(=O)N1CC[NH+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000746661593 1081056193 /nfs/dbraw/zinc/05/61/93/1081056193.db2.gz JUQRQMWRAKSYDX-UHFFFAOYSA-N 1 1 413.478 2.331 20 30 HEEDMO C[NH+](C)CCCN(CCC#N)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787198261 1081059033 /nfs/dbraw/zinc/05/90/33/1081059033.db2.gz VDFMIBJCJWDGID-INIZCTEOSA-N 1 1 418.542 2.442 20 30 HEEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841547 720633744 /nfs/dbraw/zinc/63/37/44/720633744.db2.gz SVSJZTMXFSOUNA-CMKODMSKSA-N 1 1 408.506 2.314 20 30 HEEDMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(F)cc1C#N ZINC001164751050 720844233 /nfs/dbraw/zinc/84/42/33/720844233.db2.gz XZFPZRUEHFMKNE-ZIFCJYIRSA-N 1 1 411.485 2.072 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@H]2C1 ZINC001164857154 720847598 /nfs/dbraw/zinc/84/75/98/720847598.db2.gz XURBXOLOXREXRP-XJKSGUPXSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@@H]2C1 ZINC001164853024 720858161 /nfs/dbraw/zinc/85/81/61/720858161.db2.gz GEFKERHKNJUPLQ-HUUCEWRRSA-N 1 1 400.857 2.325 20 30 HEEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC001109513438 1078534140 /nfs/dbraw/zinc/53/41/40/1078534140.db2.gz HXKNPBGRLCSTLX-TXVWBRJLSA-N 1 1 403.567 2.195 20 30 HEEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC001109513438 1078534149 /nfs/dbraw/zinc/53/41/49/1078534149.db2.gz HXKNPBGRLCSTLX-TXVWBRJLSA-N 1 1 403.567 2.195 20 30 HEEDMO O=[N+]([O-])c1ccccc1-c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)o1 ZINC000745985753 1078726776 /nfs/dbraw/zinc/72/67/76/1078726776.db2.gz VAPZMDGKXZQFSA-UHFFFAOYSA-N 1 1 417.491 2.375 20 30 HEEDMO COc1ccc(CNc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)cc1C#N ZINC000770562913 1078904232 /nfs/dbraw/zinc/90/42/32/1078904232.db2.gz YYXWTIFKZBOTSA-UHFFFAOYSA-N 1 1 407.518 2.389 20 30 HEEDMO C=CCn1c(-c2cnccn2)nn(CN2CC[N@@H+](CCOC)[C@@H](CCC)C2)c1=S ZINC000766373225 1078940473 /nfs/dbraw/zinc/94/04/73/1078940473.db2.gz FMIFGLPSYFMIPZ-KRWDZBQOSA-N 1 1 417.583 2.447 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000766400036 1078952912 /nfs/dbraw/zinc/95/29/12/1078952912.db2.gz LWWITXACVBBJHA-QGZVFWFLSA-N 1 1 415.515 2.290 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000770729639 1078956036 /nfs/dbraw/zinc/95/60/36/1078956036.db2.gz CMDZEGJCFBGDLA-HSZRJFAPSA-N 1 1 424.541 2.452 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000770857811 1079042454 /nfs/dbraw/zinc/04/24/54/1079042454.db2.gz IDYBJMPWVIVUKC-FRIKZZABSA-N 1 1 411.498 2.045 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H]1CC[C@H](C(=O)OCC)OC1)CC2 ZINC001169383928 1079254849 /nfs/dbraw/zinc/25/48/49/1079254849.db2.gz CMVSJXQWPLWIAW-LAUBAEHRSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H]1CC[C@H](C(=O)OCC)OC1)CC2 ZINC001169383928 1079254865 /nfs/dbraw/zinc/25/48/65/1079254865.db2.gz CMVSJXQWPLWIAW-LAUBAEHRSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001169844041 1079443591 /nfs/dbraw/zinc/44/35/91/1079443591.db2.gz JXUWAYJRCDWFSC-UHFFFAOYSA-N 1 1 400.567 2.156 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1F ZINC000737960040 1075941292 /nfs/dbraw/zinc/94/12/92/1075941292.db2.gz WQCCGVJQEVXXLU-UHFFFAOYSA-N 1 1 409.527 2.381 20 30 HEEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000738316332 1075988540 /nfs/dbraw/zinc/98/85/40/1075988540.db2.gz CSRFGHHDVMEBJB-MOPGFXCFSA-N 1 1 405.502 2.410 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741439367 1076530112 /nfs/dbraw/zinc/53/01/12/1076530112.db2.gz RAMZQOKEBMDTTI-XMSQKQJNSA-N 1 1 421.497 2.043 20 30 HEEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741439367 1076530119 /nfs/dbraw/zinc/53/01/19/1076530119.db2.gz RAMZQOKEBMDTTI-XMSQKQJNSA-N 1 1 421.497 2.043 20 30 HEEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742604766 1076855618 /nfs/dbraw/zinc/85/56/18/1076855618.db2.gz MCWRNITVYNCITP-DLBZAZTESA-N 1 1 420.579 2.275 20 30 HEEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000742915699 1076896948 /nfs/dbraw/zinc/89/69/48/1076896948.db2.gz PLAFAOXGUKBPLD-KRWDZBQOSA-N 1 1 420.579 2.086 20 30 HEEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000743113692 1076961146 /nfs/dbraw/zinc/96/11/46/1076961146.db2.gz HSIFFUQWQXDNOY-BWORXHKJSA-N 1 1 421.567 2.305 20 30 HEEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC[N@H+]1C ZINC000743115650 1076962680 /nfs/dbraw/zinc/96/26/80/1076962680.db2.gz YBCGNQDYJQIZFB-AEBCARIESA-N 1 1 421.567 2.446 20 30 HEEDMO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1N1CCC(O)CC1 ZINC000743732743 1077093976 /nfs/dbraw/zinc/09/39/76/1077093976.db2.gz NMSKIJURMAWDFO-QHCPKHFHSA-N 1 1 420.513 2.359 20 30 HEEDMO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1N1CCC(O)CC1 ZINC000743732743 1077093982 /nfs/dbraw/zinc/09/39/82/1077093982.db2.gz NMSKIJURMAWDFO-QHCPKHFHSA-N 1 1 420.513 2.359 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000743881403 1077165277 /nfs/dbraw/zinc/16/52/77/1077165277.db2.gz OCXAKOJGTMDJCW-LJQANCHMSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000743882850 1077172213 /nfs/dbraw/zinc/17/22/13/1077172213.db2.gz DLTRDTGIOVEACE-AWEZNQCLSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000743882850 1077172236 /nfs/dbraw/zinc/17/22/36/1077172236.db2.gz DLTRDTGIOVEACE-AWEZNQCLSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000743897379 1077209294 /nfs/dbraw/zinc/20/92/94/1077209294.db2.gz HEBONLVBSZZOQE-UHFFFAOYSA-N 1 1 415.490 2.225 20 30 HEEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000743919985 1077243595 /nfs/dbraw/zinc/24/35/95/1077243595.db2.gz QPDWIAGQTPJIME-SFTDATJTSA-N 1 1 406.486 2.117 20 30 HEEDMO C#CCCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000743971302 1077275004 /nfs/dbraw/zinc/27/50/04/1077275004.db2.gz BGNMSGDSCYKIEM-OAHLLOKOSA-N 1 1 402.470 2.107 20 30 HEEDMO C#CCCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000743971302 1077275008 /nfs/dbraw/zinc/27/50/08/1077275008.db2.gz BGNMSGDSCYKIEM-OAHLLOKOSA-N 1 1 402.470 2.107 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000767036208 1079620047 /nfs/dbraw/zinc/62/00/47/1079620047.db2.gz CUCGOMBPVFTQPM-YVUGPFRESA-N 1 1 410.562 2.105 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000767036208 1079620080 /nfs/dbraw/zinc/62/00/80/1079620080.db2.gz CUCGOMBPVFTQPM-YVUGPFRESA-N 1 1 410.562 2.105 20 30 HEEDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000746525621 1079724675 /nfs/dbraw/zinc/72/46/75/1079724675.db2.gz UVDGGRXBPFMKCH-KRWDZBQOSA-N 1 1 420.579 2.134 20 30 HEEDMO C[C@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000767366699 1079830766 /nfs/dbraw/zinc/83/07/66/1079830766.db2.gz IPPPOZOWXMGJOX-SFHVURJKSA-N 1 1 403.596 2.071 20 30 HEEDMO C[C@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000767366699 1079830770 /nfs/dbraw/zinc/83/07/70/1079830770.db2.gz IPPPOZOWXMGJOX-SFHVURJKSA-N 1 1 403.596 2.071 20 30 HEEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000767460492 1079885095 /nfs/dbraw/zinc/88/50/95/1079885095.db2.gz FVFKAEXEHGKUMM-RXVVDRJESA-N 1 1 411.550 2.044 20 30 HEEDMO C[NH+](C)Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1Br ZINC000786419979 1080593651 /nfs/dbraw/zinc/59/36/51/1080593651.db2.gz FOERZIGSGPGRGX-UHFFFAOYSA-N 1 1 416.279 2.032 20 30 HEEDMO CC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(S(N)(=O)=O)c1 ZINC000769354476 1081052611 /nfs/dbraw/zinc/05/26/11/1081052611.db2.gz MXHVCIBGQKFVBO-UHFFFAOYSA-N 1 1 412.515 2.121 20 30 HEEDMO CC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(S(N)(=O)=O)c1 ZINC000769354476 1081052618 /nfs/dbraw/zinc/05/26/18/1081052618.db2.gz MXHVCIBGQKFVBO-UHFFFAOYSA-N 1 1 412.515 2.121 20 30 HEEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164712922 720106384 /nfs/dbraw/zinc/10/63/84/720106384.db2.gz YOZFQPCUTZYKMY-IBGZPJMESA-N 1 1 408.506 2.259 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc(Cl)n1 ZINC001164737605 720691743 /nfs/dbraw/zinc/69/17/43/720691743.db2.gz GNHRVLTUPPYFCE-LSDHHAIUSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc(Cl)n1 ZINC001164737605 720691751 /nfs/dbraw/zinc/69/17/51/720691751.db2.gz GNHRVLTUPPYFCE-LSDHHAIUSA-N 1 1 406.824 2.283 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164746240 720830018 /nfs/dbraw/zinc/83/00/18/720830018.db2.gz YQLFMZXGWQVYOA-LZLYRXPVSA-N 1 1 412.929 2.281 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164745768 720833629 /nfs/dbraw/zinc/83/36/29/720833629.db2.gz NGZFQTFHBOYOFN-XKGZKEIXSA-N 1 1 402.506 2.405 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc12 ZINC001164745766 720833749 /nfs/dbraw/zinc/83/37/49/720833749.db2.gz NGZFQTFHBOYOFN-ILZDJORESA-N 1 1 402.506 2.405 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC[C@@H]2C1 ZINC001164854820 720858076 /nfs/dbraw/zinc/85/80/76/720858076.db2.gz KXENGLUTYWSMCY-HUUCEWRRSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@H]2C1 ZINC001164853023 720858208 /nfs/dbraw/zinc/85/82/08/720858208.db2.gz GEFKERHKNJUPLQ-GJZGRUSLSA-N 1 1 400.857 2.325 20 30 HEEDMO N#Cc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747302 720877682 /nfs/dbraw/zinc/87/76/82/720877682.db2.gz BBWFOUZLIPNTRB-NZQKXSOJSA-N 1 1 404.518 2.498 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866561 721068156 /nfs/dbraw/zinc/06/81/56/721068156.db2.gz FLRWVQXPBVHCKO-RTBURBONSA-N 1 1 421.501 2.313 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164764283 721100792 /nfs/dbraw/zinc/10/07/92/721100792.db2.gz HDQHSFLOKAKMAJ-QZTJIDSGSA-N 1 1 408.506 2.130 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890977 721413471 /nfs/dbraw/zinc/41/34/71/721413471.db2.gz UVALXSICKHPLMG-UGKGYDQZSA-N 1 1 401.555 2.115 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811424 721588897 /nfs/dbraw/zinc/58/88/97/721588897.db2.gz XOFFKTYIVVQBAO-ACRUOGEOSA-N 1 1 403.490 2.046 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811424 721588899 /nfs/dbraw/zinc/58/88/99/721588899.db2.gz XOFFKTYIVVQBAO-ACRUOGEOSA-N 1 1 403.490 2.046 20 30 HEEDMO N#Cc1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912342 721773397 /nfs/dbraw/zinc/77/33/97/721773397.db2.gz KSLRJRNGGZWSAQ-HSZRJFAPSA-N 1 1 416.485 2.004 20 30 HEEDMO N#Cc1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912342 721773401 /nfs/dbraw/zinc/77/34/01/721773401.db2.gz KSLRJRNGGZWSAQ-HSZRJFAPSA-N 1 1 416.485 2.004 20 30 HEEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2)C[C@@H](C)O1 ZINC000746286352 1078836295 /nfs/dbraw/zinc/83/62/95/1078836295.db2.gz SIJGICRSLYFZAE-MWPIZSESSA-N 1 1 412.490 2.151 20 30 HEEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 ZINC000746504714 1078848511 /nfs/dbraw/zinc/84/85/11/1078848511.db2.gz YECOLIQXSQRSKS-UHFFFAOYSA-N 1 1 411.468 2.454 20 30 HEEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 ZINC000746504714 1078848513 /nfs/dbraw/zinc/84/85/13/1078848513.db2.gz YECOLIQXSQRSKS-UHFFFAOYSA-N 1 1 411.468 2.454 20 30 HEEDMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001169078040 1079132180 /nfs/dbraw/zinc/13/21/80/1079132180.db2.gz FJOCAQLYENVMHI-UHFFFAOYSA-N 1 1 422.551 2.256 20 30 HEEDMO CC(C)(C=NNC(=S)NCCC[NH+]1CCOCC1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000771090820 1079146696 /nfs/dbraw/zinc/14/66/96/1079146696.db2.gz ZBJZSPGMKLMLHO-SFHVURJKSA-N 1 1 421.567 2.245 20 30 HEEDMO COC(=O)[C@](C)([NH3+])Cc1cn(-c2ncc(Br)nc2C#N)c2ccccc12 ZINC001169112472 1079159849 /nfs/dbraw/zinc/15/98/49/1079159849.db2.gz ALXCMWHAKHWHOZ-GOSISDBHSA-N 1 1 414.263 2.488 20 30 HEEDMO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1C#N ZINC000771180054 1079211782 /nfs/dbraw/zinc/21/17/82/1079211782.db2.gz HMCVVZVWFWVTNZ-OAHLLOKOSA-N 1 1 402.499 2.274 20 30 HEEDMO CC[N@@H+](CCC1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1)CC1CC1 ZINC000771432351 1079340708 /nfs/dbraw/zinc/34/07/08/1079340708.db2.gz MBWSPMZPRCUQPR-QZQOTICOSA-N 1 1 417.554 2.056 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169761604 1079399275 /nfs/dbraw/zinc/39/92/75/1079399275.db2.gz DJLSVFORHNBCHI-DHLKQENFSA-N 1 1 424.589 2.474 20 30 HEEDMO CS(=O)(=O)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001169884355 1079457871 /nfs/dbraw/zinc/45/78/71/1079457871.db2.gz CAJBVTAFOJNAOO-CNBHCMJISA-N 1 1 401.532 2.343 20 30 HEEDMO CS(=O)(=O)c1cccc(OCCO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000738288731 1075984905 /nfs/dbraw/zinc/98/49/05/1075984905.db2.gz KHVRDCUEJUFEJC-UHFFFAOYSA-N 1 1 404.488 2.356 20 30 HEEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000766896840 1079500675 /nfs/dbraw/zinc/50/06/75/1079500675.db2.gz XKMQGLPHMHKICR-SFHVURJKSA-N 1 1 416.522 2.420 20 30 HEEDMO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000771778926 1079500928 /nfs/dbraw/zinc/50/09/28/1079500928.db2.gz RSPVOGWFZNCXMY-LBPRGKRZSA-N 1 1 416.503 2.219 20 30 HEEDMO COC(=O)[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000739994651 1076091074 /nfs/dbraw/zinc/09/10/74/1076091074.db2.gz MBUQAFOPVMTPBY-YADHBBJMSA-N 1 1 420.513 2.259 20 30 HEEDMO COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000740874033 1076277320 /nfs/dbraw/zinc/27/73/20/1076277320.db2.gz UXTCXKQQKFPFDQ-UHFFFAOYSA-N 1 1 424.501 2.353 20 30 HEEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000740874033 1076277327 /nfs/dbraw/zinc/27/73/27/1076277327.db2.gz UXTCXKQQKFPFDQ-UHFFFAOYSA-N 1 1 424.501 2.353 20 30 HEEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)ccc1OC ZINC000741088191 1076350610 /nfs/dbraw/zinc/35/06/10/1076350610.db2.gz NOPCMZOFRRXFQX-IBGZPJMESA-N 1 1 418.538 2.364 20 30 HEEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000743113693 1076961004 /nfs/dbraw/zinc/96/10/04/1076961004.db2.gz HSIFFUQWQXDNOY-QKDOTCOFSA-N 1 1 421.567 2.305 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000743201147 1077004410 /nfs/dbraw/zinc/00/44/10/1077004410.db2.gz GZZSJPHOWYRTBI-UHFFFAOYSA-N 1 1 404.486 2.246 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000743201147 1077004417 /nfs/dbraw/zinc/00/44/17/1077004417.db2.gz GZZSJPHOWYRTBI-UHFFFAOYSA-N 1 1 404.486 2.246 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000743915113 1077194480 /nfs/dbraw/zinc/19/44/80/1077194480.db2.gz ZTPDRAFYRGMMKQ-AEFFLSMTSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000743971301 1077274950 /nfs/dbraw/zinc/27/49/50/1077274950.db2.gz BGNMSGDSCYKIEM-HNNXBMFYSA-N 1 1 402.470 2.107 20 30 HEEDMO C#CCCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000743971301 1077274955 /nfs/dbraw/zinc/27/49/55/1077274955.db2.gz BGNMSGDSCYKIEM-HNNXBMFYSA-N 1 1 402.470 2.107 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000744366158 1077372412 /nfs/dbraw/zinc/37/24/12/1077372412.db2.gz DVBPGXVJXVGOPW-UHFFFAOYSA-N 1 1 402.545 2.096 20 30 HEEDMO C=CCn1c2nn(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c(=S)n2c2ccccc2c1=O ZINC000744438664 1077394987 /nfs/dbraw/zinc/39/49/87/1077394987.db2.gz PANKRJLYEOHKAI-CVEARBPZSA-N 1 1 410.547 2.492 20 30 HEEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)NCCc1ccccc1 ZINC000744442926 1077396286 /nfs/dbraw/zinc/39/62/86/1077396286.db2.gz OCCVHOKEFWPREL-QGZVFWFLSA-N 1 1 410.518 2.032 20 30 HEEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948700 1079539091 /nfs/dbraw/zinc/53/90/91/1079539091.db2.gz FNCQSDBHINIPLB-VQTJNVASSA-N 1 1 419.489 2.004 20 30 HEEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948700 1079539109 /nfs/dbraw/zinc/53/91/09/1079539109.db2.gz FNCQSDBHINIPLB-VQTJNVASSA-N 1 1 419.489 2.004 20 30 HEEDMO CCOC(=O)CON=C(C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1cc[nH]n1 ZINC000772436415 1079877667 /nfs/dbraw/zinc/87/76/67/1079877667.db2.gz LLBBZIYELJEFPT-UHFFFAOYSA-N 1 1 413.478 2.304 20 30 HEEDMO CCOC(=O)CON=C(C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)c1ccn[nH]1 ZINC000772436415 1079877672 /nfs/dbraw/zinc/87/76/72/1079877672.db2.gz LLBBZIYELJEFPT-UHFFFAOYSA-N 1 1 413.478 2.304 20 30 HEEDMO CCOC(=O)CON=C(C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1ccn[nH]1 ZINC000772436415 1079877674 /nfs/dbraw/zinc/87/76/74/1079877674.db2.gz LLBBZIYELJEFPT-UHFFFAOYSA-N 1 1 413.478 2.304 20 30 HEEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000767460481 1079885123 /nfs/dbraw/zinc/88/51/23/1079885123.db2.gz FVFKAEXEHGKUMM-GHTZIAJQSA-N 1 1 411.550 2.044 20 30 HEEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785726780 1080202684 /nfs/dbraw/zinc/20/26/84/1080202684.db2.gz BBYJLPVGRIQXOM-GJZGRUSLSA-N 1 1 404.511 2.368 20 30 HEEDMO COc1sc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1Br ZINC000746557215 1080214760 /nfs/dbraw/zinc/21/47/60/1080214760.db2.gz VHNKIPYZKNAGCP-UHFFFAOYSA-N 1 1 421.386 2.040 20 30 HEEDMO C#Cc1cccc(NC(=O)CN(C)c2nc3ccccc3nc2N2CC[NH+](C)CC2)c1 ZINC000785834337 1080263892 /nfs/dbraw/zinc/26/38/92/1080263892.db2.gz HOYCMYWHNYUVDL-UHFFFAOYSA-N 1 1 414.513 2.438 20 30 HEEDMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N(CCC#N)Cc2cccnc2)CC1 ZINC000769149214 1080969579 /nfs/dbraw/zinc/96/95/79/1080969579.db2.gz DUEQUJJYCBMRRR-UHFFFAOYSA-N 1 1 401.511 2.313 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 ZINC000787281889 1081089710 /nfs/dbraw/zinc/08/97/10/1081089710.db2.gz DSKKSKXBPQAOEE-UHFFFAOYSA-N 1 1 403.552 2.472 20 30 HEEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C#N)c(C#N)nc3Cl)CC[C@@H]21 ZINC001164833555 720544682 /nfs/dbraw/zinc/54/46/82/720544682.db2.gz AAKBNPRYIYHGRZ-MPGHIAIKSA-N 1 1 410.913 2.448 20 30 HEEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C#N)c(C#N)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833556 720544967 /nfs/dbraw/zinc/54/49/67/720544967.db2.gz AAKBNPRYIYHGRZ-RLFYNMQTSA-N 1 1 410.913 2.448 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC[C@H]2C1 ZINC001164857349 720856569 /nfs/dbraw/zinc/85/65/69/720856569.db2.gz QJRAKNICUYQPFU-BBRMVZONSA-N 1 1 400.857 2.325 20 30 HEEDMO C#C[C@@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000769962041 1078654711 /nfs/dbraw/zinc/65/47/11/1078654711.db2.gz WORITUUPRIOYTH-YYTPVVGHSA-N 1 1 405.907 2.446 20 30 HEEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000769962041 1078654715 /nfs/dbraw/zinc/65/47/15/1078654715.db2.gz WORITUUPRIOYTH-YYTPVVGHSA-N 1 1 405.907 2.446 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804271281 1078951052 /nfs/dbraw/zinc/95/10/52/1078951052.db2.gz JBKQAGKNBIXAOV-KTVWJZFRSA-N 1 1 408.458 2.143 20 30 HEEDMO C=CCn1c(-c2ccncc2)nn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738206636 1075973480 /nfs/dbraw/zinc/97/34/80/1075973480.db2.gz AGYVVMUCXIHRDD-IBGZPJMESA-N 1 1 413.595 2.331 20 30 HEEDMO COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1OCC(=O)N1CCOCC1 ZINC000742381969 1076832996 /nfs/dbraw/zinc/83/29/96/1076832996.db2.gz VEFGUEBSLHQOFK-UHFFFAOYSA-N 1 1 413.449 2.233 20 30 HEEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000742545881 1076850673 /nfs/dbraw/zinc/85/06/73/1076850673.db2.gz VTARURNXNFKZGP-ZDUSSCGKSA-N 1 1 424.486 2.032 20 30 HEEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000742545880 1076850722 /nfs/dbraw/zinc/85/07/22/1076850722.db2.gz VTARURNXNFKZGP-CYBMUJFWSA-N 1 1 424.486 2.032 20 30 HEEDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC000742927674 1076898503 /nfs/dbraw/zinc/89/85/03/1076898503.db2.gz WZKBZVUCDFVYDU-GOSISDBHSA-N 1 1 408.502 2.273 20 30 HEEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000743108711 1076957205 /nfs/dbraw/zinc/95/72/05/1076957205.db2.gz DRGGGOMAIHEMNY-QKDOTCOFSA-N 1 1 421.567 2.305 20 30 HEEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000743108707 1076957407 /nfs/dbraw/zinc/95/74/07/1076957407.db2.gz DRGGGOMAIHEMNY-BWORXHKJSA-N 1 1 421.567 2.305 20 30 HEEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC[N@H+]1C ZINC000743115651 1076962939 /nfs/dbraw/zinc/96/29/39/1076962939.db2.gz YBCGNQDYJQIZFB-RIMSMWBASA-N 1 1 421.567 2.446 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000743882633 1077168384 /nfs/dbraw/zinc/16/83/84/1077168384.db2.gz BMSVHPVECXUMBV-MRXNPFEDSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000743882633 1077168392 /nfs/dbraw/zinc/16/83/92/1077168392.db2.gz BMSVHPVECXUMBV-MRXNPFEDSA-N 1 1 409.461 2.339 20 30 HEEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000743919982 1077243565 /nfs/dbraw/zinc/24/35/65/1077243565.db2.gz QPDWIAGQTPJIME-LEWJYISDSA-N 1 1 406.486 2.117 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)CC1 ZINC000744366232 1077372451 /nfs/dbraw/zinc/37/24/51/1077372451.db2.gz IVZHRVDAMMVWNJ-GOSISDBHSA-N 1 1 403.548 2.031 20 30 HEEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000744395439 1077374323 /nfs/dbraw/zinc/37/43/23/1077374323.db2.gz XYFANWSSWDTWEM-UHFFFAOYSA-N 1 1 420.513 2.175 20 30 HEEDMO COC(=O)CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCOCC1 ZINC000744426484 1077389995 /nfs/dbraw/zinc/38/99/95/1077389995.db2.gz JNJAMMBCYNEWSP-QGZVFWFLSA-N 1 1 408.458 2.268 20 30 HEEDMO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000744442130 1077396119 /nfs/dbraw/zinc/39/61/19/1077396119.db2.gz AENFPWUAFRBEHU-OAHLLOKOSA-N 1 1 412.490 2.320 20 30 HEEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000767460487 1079885041 /nfs/dbraw/zinc/88/50/41/1079885041.db2.gz FVFKAEXEHGKUMM-NQIIRXRSSA-N 1 1 411.550 2.044 20 30 HEEDMO C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742592600 1080260462 /nfs/dbraw/zinc/26/04/62/1080260462.db2.gz SYSRWFWGUUKONV-INIZCTEOSA-N 1 1 420.579 2.227 20 30 HEEDMO CN1c2ccccc2C(C)(C)C1=CC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000746498182 1080885346 /nfs/dbraw/zinc/88/53/46/1080885346.db2.gz YTHFPONWRNZPJX-FOYGFLCZSA-N 1 1 410.518 2.177 20 30 HEEDMO C=CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1OC ZINC000746619559 1080946228 /nfs/dbraw/zinc/94/62/28/1080946228.db2.gz RVIBFWNZPJQJFB-LKUPDRCFSA-N 1 1 402.491 2.369 20 30 HEEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769161935 1080978884 /nfs/dbraw/zinc/97/88/84/1080978884.db2.gz BRIJMNHUHHKXEU-LJQANCHMSA-N 1 1 421.586 2.010 20 30 HEEDMO COc1ccc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1C#N ZINC000787159286 1081037556 /nfs/dbraw/zinc/03/75/56/1081037556.db2.gz DZIJJRXLFLHGOF-UHFFFAOYSA-N 1 1 408.502 2.340 20 30 HEEDMO C#CCCOc1ccc(C[NH+]2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 ZINC000769315492 1081039968 /nfs/dbraw/zinc/03/99/68/1081039968.db2.gz BWUJFAPTKKQVNA-UHFFFAOYSA-N 1 1 413.543 2.319 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740336 720629931 /nfs/dbraw/zinc/62/99/31/720629931.db2.gz IOHQMMCAVBAFGU-QWHCGFSZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740336 720629939 /nfs/dbraw/zinc/62/99/39/720629939.db2.gz IOHQMMCAVBAFGU-QWHCGFSZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740300 720639645 /nfs/dbraw/zinc/63/96/45/720639645.db2.gz IKTMKGPHXIUMQE-HUUCEWRRSA-N 1 1 407.865 2.287 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc(Cl)n1 ZINC001164737603 720690815 /nfs/dbraw/zinc/69/08/15/720690815.db2.gz GNHRVLTUPPYFCE-GJZGRUSLSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc(Cl)n1 ZINC001164737603 720690822 /nfs/dbraw/zinc/69/08/22/720690822.db2.gz GNHRVLTUPPYFCE-GJZGRUSLSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164737604 720691161 /nfs/dbraw/zinc/69/11/61/720691161.db2.gz GNHRVLTUPPYFCE-HUUCEWRRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164737604 720691171 /nfs/dbraw/zinc/69/11/71/720691171.db2.gz GNHRVLTUPPYFCE-HUUCEWRRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164749926 720802325 /nfs/dbraw/zinc/80/23/25/720802325.db2.gz UVAULAUWNUMHRN-DLBZAZTESA-N 1 1 417.429 2.147 20 30 HEEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c1-2 ZINC001164750997 720842582 /nfs/dbraw/zinc/84/25/82/720842582.db2.gz XOFWUSIILUPRGI-YVWKXTFCSA-N 1 1 402.506 2.405 20 30 HEEDMO N#Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cn1 ZINC001164748434 720876445 /nfs/dbraw/zinc/87/64/45/720876445.db2.gz DTDNHBNMQDYTGY-REWPJTCUSA-N 1 1 404.518 2.498 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890973 721413176 /nfs/dbraw/zinc/41/31/76/721413176.db2.gz UVALXSICKHPLMG-KNQAVFIVSA-N 1 1 401.555 2.115 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890975 721413658 /nfs/dbraw/zinc/41/36/58/721413658.db2.gz UVALXSICKHPLMG-SIKLNZKXSA-N 1 1 401.555 2.115 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164806665 721555078 /nfs/dbraw/zinc/55/50/78/721555078.db2.gz QPLDFBCFHNWIQJ-KSZLIROESA-N 1 1 409.881 2.137 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164806665 721555080 /nfs/dbraw/zinc/55/50/80/721555080.db2.gz QPLDFBCFHNWIQJ-KSZLIROESA-N 1 1 409.881 2.137 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809905 721577416 /nfs/dbraw/zinc/57/74/16/721577416.db2.gz YAHJBPVRJFBUFV-ACRUOGEOSA-N 1 1 407.518 2.261 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809905 721577417 /nfs/dbraw/zinc/57/74/17/721577417.db2.gz YAHJBPVRJFBUFV-ACRUOGEOSA-N 1 1 407.518 2.261 20 30 HEEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncc12 ZINC001164962418 722058185 /nfs/dbraw/zinc/05/81/85/722058185.db2.gz RVTRLKUOAZZHDP-UHFFFAOYSA-N 1 1 403.490 2.344 20 30 HEEDMO C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000766332500 1078550485 /nfs/dbraw/zinc/55/04/85/1078550485.db2.gz CHZYEIABJXFUJE-QIBOZCLASA-N 1 1 413.518 2.038 20 30 HEEDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000745893787 1078679935 /nfs/dbraw/zinc/67/99/35/1078679935.db2.gz HBTZPCMJTKENMP-UHFFFAOYSA-N 1 1 415.513 2.173 20 30 HEEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746208732 1078818656 /nfs/dbraw/zinc/81/86/56/1078818656.db2.gz OUJZRBFURSNVBT-FCQUAONHSA-N 1 1 410.518 2.274 20 30 HEEDMO C[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000746285243 1078836443 /nfs/dbraw/zinc/83/64/43/1078836443.db2.gz OJILOHAEUIZAIY-QONSCCBWSA-N 1 1 410.518 2.414 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804271280 1078950895 /nfs/dbraw/zinc/95/08/95/1078950895.db2.gz JBKQAGKNBIXAOV-BFQBXFRASA-N 1 1 408.458 2.143 20 30 HEEDMO C#CC[N@@H+](CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000746456862 1078996677 /nfs/dbraw/zinc/99/66/77/1078996677.db2.gz ORTADNHKYUMJBG-FOWTUZBSSA-N 1 1 405.907 2.448 20 30 HEEDMO C#CC[N@H+](CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000746456862 1078996685 /nfs/dbraw/zinc/99/66/85/1078996685.db2.gz ORTADNHKYUMJBG-FOWTUZBSSA-N 1 1 405.907 2.448 20 30 HEEDMO NC(=O)NCc1ccc(C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000770858818 1079042735 /nfs/dbraw/zinc/04/27/35/1079042735.db2.gz KPAIJZALRHQVGZ-UHFFFAOYSA-N 1 1 421.497 2.286 20 30 HEEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000771124854 1079144033 /nfs/dbraw/zinc/14/40/33/1079144033.db2.gz MDDFYTGLUPYZPG-DYTRJAOYSA-N 1 1 407.540 2.057 20 30 HEEDMO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC2 ZINC000771780914 1079503015 /nfs/dbraw/zinc/50/30/15/1079503015.db2.gz QVOSNCUXVUDSKQ-UHFFFAOYSA-N 1 1 418.881 2.371 20 30 HEEDMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000741119398 1076379000 /nfs/dbraw/zinc/37/90/00/1076379000.db2.gz YJOCVEFRPQYGKL-GOSISDBHSA-N 1 1 408.520 2.278 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)cc2F)CC1 ZINC000741345607 1076489456 /nfs/dbraw/zinc/48/94/56/1076489456.db2.gz REIFVKBILFORBU-HXUWFJFHSA-N 1 1 410.449 2.223 20 30 HEEDMO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000742175164 1076792240 /nfs/dbraw/zinc/79/22/40/1076792240.db2.gz OEYCAQQSGRLAMS-UHFFFAOYSA-N 1 1 420.922 2.060 20 30 HEEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC[N@H+]1C ZINC000743113307 1076961309 /nfs/dbraw/zinc/96/13/09/1076961309.db2.gz CJWHXSLZMXWBDW-WKCPZHCVSA-N 1 1 407.540 2.104 20 30 HEEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 ZINC000743359379 1077031964 /nfs/dbraw/zinc/03/19/64/1077031964.db2.gz TYVGSNNSECTLPG-CULCSUMMSA-N 1 1 421.567 2.351 20 30 HEEDMO CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cc[nH+]c1C ZINC000771878347 1079562118 /nfs/dbraw/zinc/56/21/18/1079562118.db2.gz YPJVMBDOFCGMJN-MRXNPFEDSA-N 1 1 404.492 2.032 20 30 HEEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772330666 1079824427 /nfs/dbraw/zinc/82/44/27/1079824427.db2.gz VKRCJKSZCFIXFI-QGZVFWFLSA-N 1 1 421.501 2.359 20 30 HEEDMO C#CCCN(CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)CC(F)(F)F ZINC000767497840 1079891432 /nfs/dbraw/zinc/89/14/32/1079891432.db2.gz NADJLHNILJCRNO-HXUWFJFHSA-N 1 1 422.451 2.418 20 30 HEEDMO C#CCNS(=O)(=O)c1cccc(C(=O)OCCC[N@H+](C)Cc2ccccc2)c1 ZINC000768812940 1080789121 /nfs/dbraw/zinc/78/91/21/1080789121.db2.gz SLOOHTLNAUKFRT-UHFFFAOYSA-N 1 1 400.500 2.277 20 30 HEEDMO C#CCNS(=O)(=O)c1cccc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000769067029 1080922868 /nfs/dbraw/zinc/92/28/68/1080922868.db2.gz MIOVXQHKEBDUJQ-UHFFFAOYSA-N 1 1 404.463 2.026 20 30 HEEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC000769162566 1080980093 /nfs/dbraw/zinc/98/00/93/1080980093.db2.gz ISEUAMGMZFPGOB-LJQANCHMSA-N 1 1 421.586 2.010 20 30 HEEDMO COc1ccc(S(=O)(=O)N2CCC(=NOCCCn3cc[nH+]c3C)CC2)cc1 ZINC000769563332 1081126317 /nfs/dbraw/zinc/12/63/17/1081126317.db2.gz HKBUZOVTJLDMIN-UHFFFAOYSA-N 1 1 406.508 2.448 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738438 720706773 /nfs/dbraw/zinc/70/67/73/720706773.db2.gz JPQHGKZKAWIDRX-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738438 720706785 /nfs/dbraw/zinc/70/67/85/720706785.db2.gz JPQHGKZKAWIDRX-ZIAGYGMSSA-N 1 1 406.824 2.283 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164746238 720830087 /nfs/dbraw/zinc/83/00/87/720830087.db2.gz YQLFMZXGWQVYOA-JFIYKMOQSA-N 1 1 412.929 2.281 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@@H]2C1 ZINC001164853578 720858278 /nfs/dbraw/zinc/85/82/78/720858278.db2.gz HPYMWKCBXUHWIX-CZUORRHYSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)CC[C@@H]2C1 ZINC001164853576 720858548 /nfs/dbraw/zinc/85/85/48/720858548.db2.gz HPYMWKCBXUHWIX-CJNGLKHVSA-N 1 1 400.857 2.325 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811447 721588972 /nfs/dbraw/zinc/58/89/72/721588972.db2.gz XOFFKTYIVVQBAO-HKBOAZHASA-N 1 1 403.490 2.046 20 30 HEEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811447 721588975 /nfs/dbraw/zinc/58/89/75/721588975.db2.gz XOFFKTYIVVQBAO-HKBOAZHASA-N 1 1 403.490 2.046 20 30 HEEDMO C#C[C@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000769962039 1078654775 /nfs/dbraw/zinc/65/47/75/1078654775.db2.gz WORITUUPRIOYTH-XDUBLRSXSA-N 1 1 405.907 2.446 20 30 HEEDMO C#C[C@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000769962039 1078654779 /nfs/dbraw/zinc/65/47/79/1078654779.db2.gz WORITUUPRIOYTH-XDUBLRSXSA-N 1 1 405.907 2.446 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000770299143 1078822906 /nfs/dbraw/zinc/82/29/06/1078822906.db2.gz RHIAXSNHAUZYEW-NDXORKPFSA-N 1 1 406.486 2.116 20 30 HEEDMO C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770299143 1078822911 /nfs/dbraw/zinc/82/29/11/1078822911.db2.gz RHIAXSNHAUZYEW-NDXORKPFSA-N 1 1 406.486 2.116 20 30 HEEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2)C[C@H](C)O1 ZINC000746286250 1078836419 /nfs/dbraw/zinc/83/64/19/1078836419.db2.gz SIJGICRSLYFZAE-COOONAJRSA-N 1 1 412.490 2.151 20 30 HEEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2)C[C@H](C)O1 ZINC000746286250 1078836423 /nfs/dbraw/zinc/83/64/23/1078836423.db2.gz SIJGICRSLYFZAE-COOONAJRSA-N 1 1 412.490 2.151 20 30 HEEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766351927 1078904868 /nfs/dbraw/zinc/90/48/68/1078904868.db2.gz WWPIIPSSGVKUSB-QFBILLFUSA-N 1 1 413.499 2.043 20 30 HEEDMO N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746453107 1078980212 /nfs/dbraw/zinc/98/02/12/1078980212.db2.gz MZAWLWUMMLNKGJ-KBXCAEBGSA-N 1 1 400.454 2.142 20 30 HEEDMO Cc1csc(=O)n1CCC(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770857769 1079041875 /nfs/dbraw/zinc/04/18/75/1079041875.db2.gz GYEPUAQNGQBCJJ-UHFFFAOYSA-N 1 1 414.527 2.426 20 30 HEEDMO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000771122791 1079142569 /nfs/dbraw/zinc/14/25/69/1079142569.db2.gz OGRFGKSOZPONQP-DYTRJAOYSA-N 1 1 407.540 2.057 20 30 HEEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000771122791 1079142574 /nfs/dbraw/zinc/14/25/74/1079142574.db2.gz OGRFGKSOZPONQP-DYTRJAOYSA-N 1 1 407.540 2.057 20 30 HEEDMO COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC(=NO)c1ccc(C)cn1 ZINC001169405876 1079252530 /nfs/dbraw/zinc/25/25/30/1079252530.db2.gz CTKPKAWGNDBMQO-HNNXBMFYSA-N 1 1 415.494 2.139 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@@H]1CCCN(C(=O)OCC)CC1)C2 ZINC001169684565 1079367338 /nfs/dbraw/zinc/36/73/38/1079367338.db2.gz FMLSLWLEAADOGQ-KNQAVFIVSA-N 1 1 406.571 2.181 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@@H]1CCCN(C(=O)OCC)CC1)C2 ZINC001169684564 1079367489 /nfs/dbraw/zinc/36/74/89/1079367489.db2.gz FMLSLWLEAADOGQ-DENIHFKCSA-N 1 1 406.571 2.181 20 30 HEEDMO C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169761611 1079399415 /nfs/dbraw/zinc/39/94/15/1079399415.db2.gz DJLSVFORHNBCHI-WIOPSUGQSA-N 1 1 424.589 2.474 20 30 HEEDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 ZINC000738300068 1075985372 /nfs/dbraw/zinc/98/53/72/1075985372.db2.gz UIELWUBYDCNXRL-UHFFFAOYSA-N 1 1 424.549 2.482 20 30 HEEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1OC ZINC000739025757 1076031861 /nfs/dbraw/zinc/03/18/61/1076031861.db2.gz WFAROOKSLNSHGT-SJLPKXTDSA-N 1 1 404.511 2.144 20 30 HEEDMO COC(=O)[C@@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000739990560 1076091185 /nfs/dbraw/zinc/09/11/85/1076091185.db2.gz RBQWXJJMQYWQIZ-QFIPXVFZSA-N 1 1 406.486 2.201 20 30 HEEDMO CC[NH+]1CCN(C(=O)CC2CCN([C@H](C(=O)OC)c3ccc(C#N)cc3)CC2)CC1 ZINC000739915540 1076092530 /nfs/dbraw/zinc/09/25/30/1076092530.db2.gz QOFUIWHPNDCUDN-QFIPXVFZSA-N 1 1 412.534 2.039 20 30 HEEDMO CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000741344267 1076488138 /nfs/dbraw/zinc/48/81/38/1076488138.db2.gz GAGOJMXYINVFLW-INIZCTEOSA-N 1 1 404.486 2.133 20 30 HEEDMO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742585844 1076853577 /nfs/dbraw/zinc/85/35/77/1076853577.db2.gz LZFNQCLABKJPJH-MRXNPFEDSA-N 1 1 420.579 2.083 20 30 HEEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC[N@H+]1C ZINC000743113309 1076961277 /nfs/dbraw/zinc/96/12/77/1076961277.db2.gz CJWHXSLZMXWBDW-YIAMGWMBSA-N 1 1 407.540 2.104 20 30 HEEDMO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCOCC2)nc1-c1ccncc1 ZINC000743374242 1077035070 /nfs/dbraw/zinc/03/50/70/1077035070.db2.gz OPLDBEPEPPQEMY-SFHVURJKSA-N 1 1 400.552 2.416 20 30 HEEDMO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCOCC2)nc1-c1ccncc1 ZINC000743374238 1077035105 /nfs/dbraw/zinc/03/51/05/1077035105.db2.gz OPLDBEPEPPQEMY-GOSISDBHSA-N 1 1 400.552 2.416 20 30 HEEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000743392566 1077040874 /nfs/dbraw/zinc/04/08/74/1077040874.db2.gz PYSCWNIOIJFJBO-UHFFFAOYSA-N 1 1 424.530 2.301 20 30 HEEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000743392566 1077040878 /nfs/dbraw/zinc/04/08/78/1077040878.db2.gz PYSCWNIOIJFJBO-UHFFFAOYSA-N 1 1 424.530 2.301 20 30 HEEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1COc2cc(Cl)cc(Cl)c21 ZINC000743423915 1077050877 /nfs/dbraw/zinc/05/08/77/1077050877.db2.gz BVWDLGRBAVTWHQ-UHFFFAOYSA-N 1 1 403.335 2.276 20 30 HEEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000743919984 1077243383 /nfs/dbraw/zinc/24/33/83/1077243383.db2.gz QPDWIAGQTPJIME-RTWAWAEBSA-N 1 1 406.486 2.117 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 ZINC000744371046 1077370404 /nfs/dbraw/zinc/37/04/04/1077370404.db2.gz MQKLSKNRNAYLOU-UHFFFAOYSA-N 1 1 415.490 2.408 20 30 HEEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000744442166 1077395791 /nfs/dbraw/zinc/39/57/91/1077395791.db2.gz BOECIOOWBSIPQS-CQSZACIVSA-N 1 1 400.454 2.451 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000767036204 1079620938 /nfs/dbraw/zinc/62/09/38/1079620938.db2.gz CUCGOMBPVFTQPM-NCJDQSJGSA-N 1 1 410.562 2.105 20 30 HEEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000767036204 1079620953 /nfs/dbraw/zinc/62/09/53/1079620953.db2.gz CUCGOMBPVFTQPM-NCJDQSJGSA-N 1 1 410.562 2.105 20 30 HEEDMO C[C@@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000767366689 1079830815 /nfs/dbraw/zinc/83/08/15/1079830815.db2.gz IPPPOZOWXMGJOX-GOSISDBHSA-N 1 1 403.596 2.071 20 30 HEEDMO C[C@@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000767366689 1079830816 /nfs/dbraw/zinc/83/08/16/1079830816.db2.gz IPPPOZOWXMGJOX-GOSISDBHSA-N 1 1 403.596 2.071 20 30 HEEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000785998223 1080357050 /nfs/dbraw/zinc/35/70/50/1080357050.db2.gz ZOUHBLQASDUUMZ-KDMTZKAISA-N 1 1 403.548 2.172 20 30 HEEDMO C[N@@H+](CCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)Cc1ccc(F)cc1 ZINC000769067164 1080923153 /nfs/dbraw/zinc/92/31/53/1080923153.db2.gz WXOYFLZOLQWLPD-UHFFFAOYSA-N 1 1 419.478 2.306 20 30 HEEDMO C#CCNS(=O)(=O)c1ccc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000769075494 1080927969 /nfs/dbraw/zinc/92/79/69/1080927969.db2.gz UPFGXBVRGINCRA-UHFFFAOYSA-N 1 1 404.463 2.026 20 30 HEEDMO C#CCN(C(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCCC1 ZINC000787156200 1081032385 /nfs/dbraw/zinc/03/23/85/1081032385.db2.gz GDTXPRSJWMSDQI-KDURUIRLSA-N 1 1 411.546 2.316 20 30 HEEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769306377 1081038086 /nfs/dbraw/zinc/03/80/86/1081038086.db2.gz SRRXEVHCCLRYQH-IBGZPJMESA-N 1 1 400.523 2.270 20 30 HEEDMO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769317289 1081041199 /nfs/dbraw/zinc/04/11/99/1081041199.db2.gz OLVJCMQFWPJSJW-KRWDZBQOSA-N 1 1 414.531 2.208 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl ZINC001164738204 720701166 /nfs/dbraw/zinc/70/11/66/720701166.db2.gz ISOUUIVZGJQWSQ-GJZGRUSLSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl ZINC001164738204 720701178 /nfs/dbraw/zinc/70/11/78/720701178.db2.gz ISOUUIVZGJQWSQ-GJZGRUSLSA-N 1 1 406.824 2.283 20 30 HEEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764549 721098050 /nfs/dbraw/zinc/09/80/50/721098050.db2.gz ICYNSFSKAMFFLS-UONOGXRCSA-N 1 1 421.958 2.352 20 30 HEEDMO C=CC[NH+]1CCN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001165032456 721868561 /nfs/dbraw/zinc/86/85/61/721868561.db2.gz SWKMASYXYRTEDQ-UHFFFAOYSA-N 1 1 405.546 2.348 20 30 HEEDMO COc1cc(OC)c(NC(=O)CC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC001168924829 1079077320 /nfs/dbraw/zinc/07/73/20/1079077320.db2.gz HUAQFZAJSRETLW-UHFFFAOYSA-N 1 1 420.901 2.427 20 30 HEEDMO C=CCn1c(-c2cccnc2)nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738209288 1075973963 /nfs/dbraw/zinc/97/39/63/1075973963.db2.gz QAXWZTNHLMFBHR-LJQANCHMSA-N 1 1 413.595 2.331 20 30 HEEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326838 1075980530 /nfs/dbraw/zinc/98/05/30/1075980530.db2.gz PDNMCECXCYJRGW-UHFFFAOYSA-N 1 1 415.538 2.371 20 30 HEEDMO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000771781018 1079503097 /nfs/dbraw/zinc/50/30/97/1079503097.db2.gz SRKJIOQKYSOEKD-UHFFFAOYSA-N 1 1 412.490 2.334 20 30 HEEDMO N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741324735 1076476888 /nfs/dbraw/zinc/47/68/88/1076476888.db2.gz DNMNBFXZPKFGLZ-SFHVURJKSA-N 1 1 400.454 2.237 20 30 HEEDMO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741701202 1076597200 /nfs/dbraw/zinc/59/72/00/1076597200.db2.gz AXRVLLGIKGKKEE-JZXOWHBKSA-N 1 1 420.579 2.081 20 30 HEEDMO C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742592601 1076854339 /nfs/dbraw/zinc/85/43/39/1076854339.db2.gz SYSRWFWGUUKONV-MRXNPFEDSA-N 1 1 420.579 2.227 20 30 HEEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC[N@H+]1C ZINC000743113308 1076960969 /nfs/dbraw/zinc/96/09/69/1076960969.db2.gz CJWHXSLZMXWBDW-XSAZEUPQSA-N 1 1 407.540 2.104 20 30 HEEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 ZINC000743359757 1077031737 /nfs/dbraw/zinc/03/17/37/1077031737.db2.gz WJUFBIMSIBLUMD-CULCSUMMSA-N 1 1 421.567 2.351 20 30 HEEDMO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCOCC2)nc1-c1cccnc1 ZINC000743376554 1077044914 /nfs/dbraw/zinc/04/49/14/1077044914.db2.gz XLEQDTHOQXYSSW-SFHVURJKSA-N 1 1 400.552 2.416 20 30 HEEDMO COc1ccc(N2CC[NH+](CCNC(=O)NCc3cc(C#N)ccc3F)CC2)cc1 ZINC000743566548 1077074158 /nfs/dbraw/zinc/07/41/58/1077074158.db2.gz HNBLCPREQKOKAN-UHFFFAOYSA-N 1 1 411.481 2.327 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000743883674 1077170441 /nfs/dbraw/zinc/17/04/41/1077170441.db2.gz MGWAAEHZUPCKIT-MRXNPFEDSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000743883674 1077170455 /nfs/dbraw/zinc/17/04/55/1077170455.db2.gz MGWAAEHZUPCKIT-MRXNPFEDSA-N 1 1 409.461 2.339 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000743905151 1077218444 /nfs/dbraw/zinc/21/84/44/1077218444.db2.gz DBAQNWJJBKDKJZ-LJQANCHMSA-N 1 1 423.488 2.457 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)COc2c(Br)cc(C#N)cc2OCC)CC1 ZINC000744366211 1077372380 /nfs/dbraw/zinc/37/23/80/1077372380.db2.gz HXSJGEJLIIIICC-UHFFFAOYSA-N 1 1 420.307 2.266 20 30 HEEDMO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000744993336 1077698102 /nfs/dbraw/zinc/69/81/02/1077698102.db2.gz JIOLWFRLOFUUGY-IRXDYDNUSA-N 1 1 417.506 2.497 20 30 HEEDMO Cc1[nH+]ccn1CCOC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000771889649 1079564920 /nfs/dbraw/zinc/56/49/20/1079564920.db2.gz URDYDICRGOGLTH-UHFFFAOYSA-N 1 1 404.492 2.034 20 30 HEEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000767042089 1079601099 /nfs/dbraw/zinc/60/10/99/1079601099.db2.gz WZXJSOKDTDSVMS-QFIPXVFZSA-N 1 1 409.486 2.478 20 30 HEEDMO C#CCNc1nc(N[C@@H](CO)c2ccccc2)[nH+]c(N[C@@H](CO)c2ccccc2)n1 ZINC000804348216 1079696641 /nfs/dbraw/zinc/69/66/41/1079696641.db2.gz OCMWYDLOJRWNKJ-OALUTQOASA-N 1 1 404.474 2.208 20 30 HEEDMO C#CCNc1nc(N[C@@H](CO)c2ccccc2)nc(N[C@@H](CO)c2ccccc2)[nH+]1 ZINC000804348216 1079696654 /nfs/dbraw/zinc/69/66/54/1079696654.db2.gz OCMWYDLOJRWNKJ-OALUTQOASA-N 1 1 404.474 2.208 20 30 HEEDMO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000767319149 1079816701 /nfs/dbraw/zinc/81/67/01/1079816701.db2.gz DPVHQYBGMSDAMG-CTEOGUNLSA-N 1 1 407.474 2.124 20 30 HEEDMO COC(=O)/C=C\c1ccc(OCC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000767319149 1079816704 /nfs/dbraw/zinc/81/67/04/1079816704.db2.gz DPVHQYBGMSDAMG-CTEOGUNLSA-N 1 1 407.474 2.124 20 30 HEEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772330665 1079824492 /nfs/dbraw/zinc/82/44/92/1079824492.db2.gz VKRCJKSZCFIXFI-KRWDZBQOSA-N 1 1 421.501 2.359 20 30 HEEDMO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767747928 1080065726 /nfs/dbraw/zinc/06/57/26/1080065726.db2.gz XNLMVGDMXFFRGM-UHFFFAOYSA-N 1 1 400.504 2.261 20 30 HEEDMO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767754045 1080070866 /nfs/dbraw/zinc/07/08/66/1080070866.db2.gz QKOVTVPQRKANDA-UHFFFAOYSA-N 1 1 400.504 2.261 20 30 HEEDMO COc1cccc([C@@H](C#N)NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1OC ZINC000768151021 1080372378 /nfs/dbraw/zinc/37/23/78/1080372378.db2.gz CTOKFMYIKVKZRF-CTNGQTDRSA-N 1 1 408.502 2.373 20 30 HEEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC(C)C)C1CC1 ZINC001109304127 1080587205 /nfs/dbraw/zinc/58/72/05/1080587205.db2.gz LAIGNJABVWAKJM-MJCUULBUSA-N 1 1 403.567 2.336 20 30 HEEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC(C)C)C1CC1 ZINC001109304127 1080587210 /nfs/dbraw/zinc/58/72/10/1080587210.db2.gz LAIGNJABVWAKJM-MJCUULBUSA-N 1 1 403.567 2.336 20 30 HEEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768990561 1080877351 /nfs/dbraw/zinc/87/73/51/1080877351.db2.gz HGJDGVYQRLTFCT-KRWDZBQOSA-N 1 1 416.522 2.489 20 30 HEEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768990561 1080877352 /nfs/dbraw/zinc/87/73/52/1080877352.db2.gz HGJDGVYQRLTFCT-KRWDZBQOSA-N 1 1 416.522 2.489 20 30 HEEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768990563 1080877380 /nfs/dbraw/zinc/87/73/80/1080877380.db2.gz HGJDGVYQRLTFCT-QGZVFWFLSA-N 1 1 416.522 2.489 20 30 HEEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000768990563 1080877383 /nfs/dbraw/zinc/87/73/83/1080877383.db2.gz HGJDGVYQRLTFCT-QGZVFWFLSA-N 1 1 416.522 2.489 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769113019 1080939590 /nfs/dbraw/zinc/93/95/90/1080939590.db2.gz GSRQUMJFOAAOJN-OAHLLOKOSA-N 1 1 419.478 2.039 20 30 HEEDMO N#CCCCN1C(=O)CCc2cc(NC(=S)NCCC[NH+]3CCOCC3)ccc21 ZINC000787198658 1081059116 /nfs/dbraw/zinc/05/91/16/1081059116.db2.gz NINFBQWXPSTPCA-UHFFFAOYSA-N 1 1 415.563 2.278 20 30 HEEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164687309 719727274 /nfs/dbraw/zinc/72/72/74/719727274.db2.gz VVRFHBISYMXIDV-GOSISDBHSA-N 1 1 422.508 2.452 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164746242 720830241 /nfs/dbraw/zinc/83/02/41/720830241.db2.gz YQLFMZXGWQVYOA-SOLBZPMBSA-N 1 1 412.929 2.281 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC[C@@H]2C1 ZINC001164857352 720857125 /nfs/dbraw/zinc/85/71/25/720857125.db2.gz QJRAKNICUYQPFU-CJNGLKHVSA-N 1 1 400.857 2.325 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C#N ZINC001164764279 721100346 /nfs/dbraw/zinc/10/03/46/721100346.db2.gz HDQHSFLOKAKMAJ-MSOLQXFVSA-N 1 1 408.506 2.130 20 30 HEEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000745845528 1078662835 /nfs/dbraw/zinc/66/28/35/1078662835.db2.gz AZTIJAUIOPQOTD-HKUYNNGSSA-N 1 1 402.564 2.302 20 30 HEEDMO C=CCNc1ncc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000770107025 1078731479 /nfs/dbraw/zinc/73/14/79/1078731479.db2.gz GFVPOOBBMHEVEL-UHFFFAOYSA-N 1 1 422.551 2.049 20 30 HEEDMO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000766366476 1078921163 /nfs/dbraw/zinc/92/11/63/1078921163.db2.gz PDIJCVZKXAEBQW-LPHOPBHVSA-N 1 1 413.499 2.043 20 30 HEEDMO CC(=O)N[C@H](C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000770729555 1078956138 /nfs/dbraw/zinc/95/61/38/1078956138.db2.gz AENFBENQNHYJJH-QHCPKHFHSA-N 1 1 412.530 2.499 20 30 HEEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](CC[S@@](C)=O)CC3)sc2C1 ZINC000746470326 1079019955 /nfs/dbraw/zinc/01/99/55/1079019955.db2.gz VYWFVHCAZVOEGT-OHZJNBGDSA-N 1 1 422.620 2.069 20 30 HEEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000771321645 1079286201 /nfs/dbraw/zinc/28/62/01/1079286201.db2.gz ORSBUAABSCHBAK-HKUYNNGSSA-N 1 1 417.554 2.201 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628018 1079411380 /nfs/dbraw/zinc/41/13/80/1079411380.db2.gz DKVRDEYBJULVIO-VGSWGCGISA-N 1 1 412.490 2.194 20 30 HEEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628018 1079411401 /nfs/dbraw/zinc/41/14/01/1079411401.db2.gz DKVRDEYBJULVIO-VGSWGCGISA-N 1 1 412.490 2.194 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000771632347 1079439729 /nfs/dbraw/zinc/43/97/29/1079439729.db2.gz QEMBQRFSPBCDIK-SFHVURJKSA-N 1 1 412.490 2.191 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000771632347 1079439734 /nfs/dbraw/zinc/43/97/34/1079439734.db2.gz QEMBQRFSPBCDIK-SFHVURJKSA-N 1 1 412.490 2.191 20 30 HEEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326287 1075990584 /nfs/dbraw/zinc/99/05/84/1075990584.db2.gz IJHMZXYKOKZYIZ-UHFFFAOYSA-N 1 1 415.538 2.371 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741276787 1076441903 /nfs/dbraw/zinc/44/19/03/1076441903.db2.gz AWBSUYSDNJDEPF-AVRDEDQJSA-N 1 1 420.513 2.195 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741276787 1076441906 /nfs/dbraw/zinc/44/19/06/1076441906.db2.gz AWBSUYSDNJDEPF-AVRDEDQJSA-N 1 1 420.513 2.195 20 30 HEEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000742293146 1076819503 /nfs/dbraw/zinc/81/95/03/1076819503.db2.gz IWBZNZGSGRIOOM-FQEVSTJZSA-N 1 1 421.563 2.357 20 30 HEEDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742552999 1076851347 /nfs/dbraw/zinc/85/13/47/1076851347.db2.gz BOOZWLGSBJGKFY-ZDUSSCGKSA-N 1 1 424.486 2.032 20 30 HEEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000743113694 1076960933 /nfs/dbraw/zinc/96/09/33/1076960933.db2.gz HSIFFUQWQXDNOY-UFIXSJTLSA-N 1 1 421.567 2.305 20 30 HEEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000743113695 1076961247 /nfs/dbraw/zinc/96/12/47/1076961247.db2.gz HSIFFUQWQXDNOY-VFOOBRQFSA-N 1 1 421.567 2.305 20 30 HEEDMO Cc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(OC(F)F)cc1C ZINC000743424934 1077046164 /nfs/dbraw/zinc/04/61/64/1077046164.db2.gz RXMUHBXCSYSURT-UHFFFAOYSA-N 1 1 400.495 2.425 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000743885168 1077175806 /nfs/dbraw/zinc/17/58/06/1077175806.db2.gz SZHCKKPRFGDCBC-UHFFFAOYSA-N 1 1 409.461 2.341 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000744370746 1077370546 /nfs/dbraw/zinc/37/05/46/1077370546.db2.gz AEOVSBORSKJCGI-UHFFFAOYSA-N 1 1 419.591 2.065 20 30 HEEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000767042088 1079601365 /nfs/dbraw/zinc/60/13/65/1079601365.db2.gz WZXJSOKDTDSVMS-JOCHJYFZSA-N 1 1 409.486 2.478 20 30 HEEDMO CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cc[nH]n1 ZINC000772342276 1079832834 /nfs/dbraw/zinc/83/28/34/1079832834.db2.gz MKOWKNBKFPTHFE-CQSZACIVSA-N 1 1 424.461 2.065 20 30 HEEDMO Cc1[nH+]ccn1CCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767523130 1079917351 /nfs/dbraw/zinc/91/73/51/1079917351.db2.gz COOYGLKJSZZAFS-UHFFFAOYSA-N 1 1 416.503 2.097 20 30 HEEDMO C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCCCn1cc[nH+]c1C ZINC000767549214 1079956743 /nfs/dbraw/zinc/95/67/43/1079956743.db2.gz PWPQWRMDARAFOC-JOCHJYFZSA-N 1 1 408.458 2.290 20 30 HEEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785726782 1080202921 /nfs/dbraw/zinc/20/29/21/1080202921.db2.gz BBYJLPVGRIQXOM-HUUCEWRRSA-N 1 1 404.511 2.368 20 30 HEEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000785998222 1080357241 /nfs/dbraw/zinc/35/72/41/1080357241.db2.gz ZOUHBLQASDUUMZ-FVECTHPASA-N 1 1 403.548 2.172 20 30 HEEDMO CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000768380587 1080534915 /nfs/dbraw/zinc/53/49/15/1080534915.db2.gz BTRRWZZJYXABOM-UHFFFAOYSA-N 1 1 418.910 2.037 20 30 HEEDMO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000328605213 569418019 /nfs/dbraw/zinc/41/80/19/569418019.db2.gz MMPXMOGZWZSKBR-HNNXBMFYSA-N 1 1 416.478 2.478 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164743797 720618151 /nfs/dbraw/zinc/61/81/51/720618151.db2.gz QSWSUVQNVTZGTE-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl ZINC001164743797 720618168 /nfs/dbraw/zinc/61/81/68/720618168.db2.gz QSWSUVQNVTZGTE-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740567 720668738 /nfs/dbraw/zinc/66/87/38/720668738.db2.gz QYGMAIMQMLMBSQ-QWHCGFSZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740567 720668755 /nfs/dbraw/zinc/66/87/55/720668755.db2.gz QYGMAIMQMLMBSQ-QWHCGFSZSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738436 720706132 /nfs/dbraw/zinc/70/61/32/720706132.db2.gz JPQHGKZKAWIDRX-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738436 720706135 /nfs/dbraw/zinc/70/61/35/720706135.db2.gz JPQHGKZKAWIDRX-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2[nH]1 ZINC001164742459 720844645 /nfs/dbraw/zinc/84/46/45/720844645.db2.gz GPVFAAWDUVEJNT-DJPFJPOOSA-N 1 1 402.506 2.405 20 30 HEEDMO N#Cc1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755430 720870821 /nfs/dbraw/zinc/87/08/21/720870821.db2.gz WUQFOZCEHVPKFO-NZQKXSOJSA-N 1 1 404.518 2.498 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866560 721068563 /nfs/dbraw/zinc/06/85/63/721068563.db2.gz FLRWVQXPBVHCKO-RBUKOAKNSA-N 1 1 421.501 2.313 20 30 HEEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764553 721097711 /nfs/dbraw/zinc/09/77/11/721097711.db2.gz ICYNSFSKAMFFLS-ZIAGYGMSSA-N 1 1 421.958 2.352 20 30 HEEDMO C#C[C@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000769962036 1078654701 /nfs/dbraw/zinc/65/47/01/1078654701.db2.gz WORITUUPRIOYTH-RERGGYADSA-N 1 1 405.907 2.446 20 30 HEEDMO C#C[C@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000769962036 1078654706 /nfs/dbraw/zinc/65/47/06/1078654706.db2.gz WORITUUPRIOYTH-RERGGYADSA-N 1 1 405.907 2.446 20 30 HEEDMO C[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000746285245 1078836361 /nfs/dbraw/zinc/83/63/61/1078836361.db2.gz OJILOHAEUIZAIY-YQUZGRDASA-N 1 1 410.518 2.414 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1F ZINC000746277818 1078842156 /nfs/dbraw/zinc/84/21/56/1078842156.db2.gz TTYBJKJYCWTLDA-INIZCTEOSA-N 1 1 411.543 2.388 20 30 HEEDMO C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H]1c1cccs1 ZINC000746300239 1078847088 /nfs/dbraw/zinc/84/70/88/1078847088.db2.gz MDAYOJGSJMBGSY-NSOYCGIDSA-N 1 1 402.520 2.164 20 30 HEEDMO Cc1sc(=O)n(CC(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000770857752 1079041916 /nfs/dbraw/zinc/04/19/16/1079041916.db2.gz GLPRFIZYEWPFLY-UHFFFAOYSA-N 1 1 414.527 2.344 20 30 HEEDMO C[C@@H](Sc1nncn1C)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770858218 1079041968 /nfs/dbraw/zinc/04/19/68/1079041968.db2.gz KWGFGVPSAUUBRE-QGZVFWFLSA-N 1 1 414.531 2.113 20 30 HEEDMO CC(C)CN1C[C@@H](C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000770858747 1079042827 /nfs/dbraw/zinc/04/28/27/1079042827.db2.gz JJCXIANZLPLWEN-QFIPXVFZSA-N 1 1 412.530 2.308 20 30 HEEDMO C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001169216146 1079199689 /nfs/dbraw/zinc/19/96/89/1079199689.db2.gz GLVZXBPAMCTGDD-UHFFFAOYSA-N 1 1 409.452 2.411 20 30 HEEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)ccc1F ZINC001169830137 1079424981 /nfs/dbraw/zinc/42/49/81/1079424981.db2.gz HFHFPYIQXJDZDA-IBGZPJMESA-N 1 1 417.506 2.385 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2F)CC1 ZINC000741345997 1076488929 /nfs/dbraw/zinc/48/89/29/1076488929.db2.gz VHYYLJFRTWEBMI-UHFFFAOYSA-N 1 1 424.476 2.312 20 30 HEEDMO CC[N@H+]1CCC(=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)[C@@H](C)C1 ZINC000741457643 1076535371 /nfs/dbraw/zinc/53/53/71/1076535371.db2.gz OPBJLHKRIIDGFW-AWEZNQCLSA-N 1 1 400.552 2.489 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000742249429 1076806096 /nfs/dbraw/zinc/80/60/96/1076806096.db2.gz ROFXPQFWMHVMAX-FCQUAONHSA-N 1 1 410.518 2.070 20 30 HEEDMO C[N@@H+](CCN1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1)Cc1ccccc1 ZINC000742293136 1076819514 /nfs/dbraw/zinc/81/95/14/1076819514.db2.gz LGTUEYJUPDDUAG-UHFFFAOYSA-N 1 1 416.522 2.136 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000743378082 1077044807 /nfs/dbraw/zinc/04/48/07/1077044807.db2.gz VSFYHVIVCUEDFW-QPPBQGQZSA-N 1 1 417.513 2.489 20 30 HEEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000743882088 1077169833 /nfs/dbraw/zinc/16/98/33/1077169833.db2.gz ZQYOPXANEVIRFV-LJQANCHMSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000743882851 1077171832 /nfs/dbraw/zinc/17/18/32/1077171832.db2.gz DLTRDTGIOVEACE-CQSZACIVSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000743882851 1077171841 /nfs/dbraw/zinc/17/18/41/1077171841.db2.gz DLTRDTGIOVEACE-CQSZACIVSA-N 1 1 415.490 2.401 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 ZINC000744364678 1077371927 /nfs/dbraw/zinc/37/19/27/1077371927.db2.gz YZQLRBSUIOLMIG-QFIPXVFZSA-N 1 1 403.482 2.410 20 30 HEEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948699 1079539217 /nfs/dbraw/zinc/53/92/17/1079539217.db2.gz FNCQSDBHINIPLB-UXHICEINSA-N 1 1 419.489 2.004 20 30 HEEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000766948699 1079539231 /nfs/dbraw/zinc/53/92/31/1079539231.db2.gz FNCQSDBHINIPLB-UXHICEINSA-N 1 1 419.489 2.004 20 30 HEEDMO C=CCn1c2nnc(SCC(=O)OCCn3cc[nH+]c3C)n2c2ccccc2c1=O ZINC000771855576 1079566979 /nfs/dbraw/zinc/56/69/79/1079566979.db2.gz WCWVAAAXVZKGMV-UHFFFAOYSA-N 1 1 424.486 2.071 20 30 HEEDMO Fc1ccc(-c2nc(C=NNC(=S)NCCC[NH+]3CCOCC3)cs2)cc1 ZINC000767105292 1079661067 /nfs/dbraw/zinc/66/10/67/1079661067.db2.gz BHOMZAPXDXYGHS-UHFFFAOYSA-N 1 1 407.540 2.470 20 30 HEEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000767388751 1079841485 /nfs/dbraw/zinc/84/14/85/1079841485.db2.gz WQEFUVSXVQJPDL-CHWSQXEVSA-N 1 1 406.284 2.364 20 30 HEEDMO N#CC1(C(=O)OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCOCC1 ZINC000767401884 1079848769 /nfs/dbraw/zinc/84/87/69/1079848769.db2.gz NCXJWZWOHBZFEJ-UHFFFAOYSA-N 1 1 421.497 2.348 20 30 HEEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@@H]2CCO)c1C#N ZINC000767602710 1080000949 /nfs/dbraw/zinc/00/09/49/1080000949.db2.gz ZCCJIYBUZWCOKS-KRWDZBQOSA-N 1 1 400.479 2.030 20 30 HEEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@@H]2CCO)c1C#N ZINC000767602710 1080000955 /nfs/dbraw/zinc/00/09/55/1080000955.db2.gz ZCCJIYBUZWCOKS-KRWDZBQOSA-N 1 1 400.479 2.030 20 30 HEEDMO N#CCOc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000769098999 1080909667 /nfs/dbraw/zinc/90/96/67/1080909667.db2.gz KDDJRPKJTKJGFH-IFMALSPDSA-N 1 1 408.502 2.271 20 30 HEEDMO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769317290 1081041247 /nfs/dbraw/zinc/04/12/47/1081041247.db2.gz OLVJCMQFWPJSJW-QGZVFWFLSA-N 1 1 414.531 2.208 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739467 720735935 /nfs/dbraw/zinc/73/59/35/720735935.db2.gz ITFFRXZSANIQCQ-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739467 720735938 /nfs/dbraw/zinc/73/59/38/720735938.db2.gz ITFFRXZSANIQCQ-UONOGXRCSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164749938 720802362 /nfs/dbraw/zinc/80/23/62/720802362.db2.gz UVAULAUWNUMHRN-SJORKVTESA-N 1 1 417.429 2.147 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)CC[C@@H]2C1 ZINC001164853022 720858466 /nfs/dbraw/zinc/85/84/66/720858466.db2.gz GEFKERHKNJUPLQ-CABCVRRESA-N 1 1 400.857 2.325 20 30 HEEDMO N#Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cn1 ZINC001164748431 720876293 /nfs/dbraw/zinc/87/62/93/720876293.db2.gz DTDNHBNMQDYTGY-NZQKXSOJSA-N 1 1 404.518 2.498 20 30 HEEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866558 721068632 /nfs/dbraw/zinc/06/86/32/721068632.db2.gz FLRWVQXPBVHCKO-MOPGFXCFSA-N 1 1 421.501 2.313 20 30 HEEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C5(C#N)CCOCC5)cn4)C[C@@H]3C2)cn1 ZINC001164761328 721188624 /nfs/dbraw/zinc/18/86/24/721188624.db2.gz AOJVBXYOGILAJL-UXHICEINSA-N 1 1 406.534 2.345 20 30 HEEDMO COc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778802 721341410 /nfs/dbraw/zinc/34/14/10/721341410.db2.gz OQEVWGKFKJTMIQ-NRFANRHFSA-N 1 1 412.494 2.081 20 30 HEEDMO COc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778802 721341414 /nfs/dbraw/zinc/34/14/14/721341414.db2.gz OQEVWGKFKJTMIQ-NRFANRHFSA-N 1 1 412.494 2.081 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809906 721577675 /nfs/dbraw/zinc/57/76/75/721577675.db2.gz YAHJBPVRJFBUFV-HKBOAZHASA-N 1 1 407.518 2.261 20 30 HEEDMO C=CCNC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809906 721577677 /nfs/dbraw/zinc/57/76/77/721577677.db2.gz YAHJBPVRJFBUFV-HKBOAZHASA-N 1 1 407.518 2.261 20 30 HEEDMO C#C[C@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000769962774 1078654277 /nfs/dbraw/zinc/65/42/77/1078654277.db2.gz KQVPEHCDIVCEII-VUODPORTSA-N 1 1 415.515 2.191 20 30 HEEDMO C#C[C@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000769962774 1078654281 /nfs/dbraw/zinc/65/42/81/1078654281.db2.gz KQVPEHCDIVCEII-VUODPORTSA-N 1 1 415.515 2.191 20 30 HEEDMO Cc1cccnc1CC(=NNC(=S)NCCC[NH+]1CCOCC1)C(F)(F)F ZINC000746369963 1078878406 /nfs/dbraw/zinc/87/84/06/1078878406.db2.gz CUEQONFWJKWQDR-UHFFFAOYSA-N 1 1 403.474 2.037 20 30 HEEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804271283 1078950824 /nfs/dbraw/zinc/95/08/24/1078950824.db2.gz JBKQAGKNBIXAOV-SIUCFOQUSA-N 1 1 408.458 2.143 20 30 HEEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000766400768 1078953683 /nfs/dbraw/zinc/95/36/83/1078953683.db2.gz PIEKGOLXNCJEGH-QGZVFWFLSA-N 1 1 415.515 2.290 20 30 HEEDMO C#CC[N@@H+](CC)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000746456863 1078996499 /nfs/dbraw/zinc/99/64/99/1078996499.db2.gz ORTADNHKYUMJBG-VBKFSLOCSA-N 1 1 405.907 2.448 20 30 HEEDMO C#CC[N@H+](CC)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000746456863 1078996508 /nfs/dbraw/zinc/99/65/08/1078996508.db2.gz ORTADNHKYUMJBG-VBKFSLOCSA-N 1 1 405.907 2.448 20 30 HEEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](CC[S@@](C)=O)CC3)sc2C1 ZINC000746470328 1079019895 /nfs/dbraw/zinc/01/98/95/1079019895.db2.gz VYWFVHCAZVOEGT-WQIZZMQYSA-N 1 1 422.620 2.069 20 30 HEEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1 ZINC001169148401 1079165992 /nfs/dbraw/zinc/16/59/92/1079165992.db2.gz FHUFYOJSVRJQEN-HXUWFJFHSA-N 1 1 413.543 2.464 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H]1CC[C@H](C(=O)OCC)OC1)CC2 ZINC001169383927 1079254673 /nfs/dbraw/zinc/25/46/73/1079254673.db2.gz CMVSJXQWPLWIAW-DYESRHJHSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H]1CC[C@H](C(=O)OCC)OC1)CC2 ZINC001169383927 1079254687 /nfs/dbraw/zinc/25/46/87/1079254687.db2.gz CMVSJXQWPLWIAW-DYESRHJHSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CC[C@@H](Nc1nc(C[N@H+]2CC[C@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(=O)OC ZINC001169836838 1079436997 /nfs/dbraw/zinc/43/69/97/1079436997.db2.gz PSRXRAVRUFUIIA-MAUKXSAKSA-N 1 1 418.538 2.410 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000771631337 1079439314 /nfs/dbraw/zinc/43/93/14/1079439314.db2.gz OMECKJHOMFSIOK-SFHVURJKSA-N 1 1 412.490 2.191 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000771631337 1079439325 /nfs/dbraw/zinc/43/93/25/1079439325.db2.gz OMECKJHOMFSIOK-SFHVURJKSA-N 1 1 412.490 2.191 20 30 HEEDMO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000739126650 1076048379 /nfs/dbraw/zinc/04/83/79/1076048379.db2.gz NBCCIJMYLCEOEC-XMSQKQJNSA-N 1 1 420.513 2.365 20 30 HEEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740469468 1076184479 /nfs/dbraw/zinc/18/44/79/1076184479.db2.gz ZIVGALKSNRMKKL-UHFFFAOYSA-N 1 1 411.531 2.250 20 30 HEEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000741705647 1076599562 /nfs/dbraw/zinc/59/95/62/1076599562.db2.gz REWUUNYORRHYJD-AEFFLSMTSA-N 1 1 420.579 2.084 20 30 HEEDMO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742585842 1076853609 /nfs/dbraw/zinc/85/36/09/1076853609.db2.gz LZFNQCLABKJPJH-INIZCTEOSA-N 1 1 420.579 2.083 20 30 HEEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC[N@H+]1C ZINC000743109222 1076957766 /nfs/dbraw/zinc/95/77/66/1076957766.db2.gz RLZTZEOHHAGRJW-SDHHDXMRSA-N 1 1 421.567 2.446 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000743881400 1077165477 /nfs/dbraw/zinc/16/54/77/1077165477.db2.gz OCXAKOJGTMDJCW-IBGZPJMESA-N 1 1 419.497 2.029 20 30 HEEDMO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000767319154 1079817153 /nfs/dbraw/zinc/81/71/53/1079817153.db2.gz DPVHQYBGMSDAMG-JZLODUJNSA-N 1 1 407.474 2.124 20 30 HEEDMO COC(=O)/C=C/c1ccc(OCC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000767319154 1079817157 /nfs/dbraw/zinc/81/71/57/1079817157.db2.gz DPVHQYBGMSDAMG-JZLODUJNSA-N 1 1 407.474 2.124 20 30 HEEDMO N#Cc1ccc(C2=CC[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 ZINC000767742255 1080060936 /nfs/dbraw/zinc/06/09/36/1080060936.db2.gz RXGYHUKTXQAXBH-UHFFFAOYSA-N 1 1 421.501 2.323 20 30 HEEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000785971254 1080329167 /nfs/dbraw/zinc/32/91/67/1080329167.db2.gz XHDRQVQBGJDPFR-UHFFFAOYSA-N 1 1 417.553 2.414 20 30 HEEDMO CN(CCC#N)c1ccc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000768235255 1080437122 /nfs/dbraw/zinc/43/71/22/1080437122.db2.gz ZFXVNZNMBNAUHD-UHFFFAOYSA-N 1 1 405.546 2.470 20 30 HEEDMO C=CCOc1ccc(/C=C\C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1OC ZINC000746619556 1080946530 /nfs/dbraw/zinc/94/65/30/1080946530.db2.gz RVIBFWNZPJQJFB-KMDWOBIYSA-N 1 1 402.491 2.369 20 30 HEEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740564 720669357 /nfs/dbraw/zinc/66/93/57/720669357.db2.gz QYGMAIMQMLMBSQ-OLZOCXBDSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740564 720669366 /nfs/dbraw/zinc/66/93/66/720669366.db2.gz QYGMAIMQMLMBSQ-OLZOCXBDSA-N 1 1 406.824 2.283 20 30 HEEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741108 720737253 /nfs/dbraw/zinc/73/72/53/720737253.db2.gz MCPRUWUURJKHHZ-IRXDYDNUSA-N 1 1 421.505 2.070 20 30 HEEDMO C=CCOc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742655 720830047 /nfs/dbraw/zinc/83/00/47/720830047.db2.gz QGWMWVGPZCIXKV-VAMGGRTRSA-N 1 1 409.538 2.321 20 30 HEEDMO COCC[N@H+]1CCO[C@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)CC[C@H]2C1 ZINC001164855858 720839364 /nfs/dbraw/zinc/83/93/64/720839364.db2.gz VGCZWPWYSSGRFJ-KSSFIOAISA-N 1 1 401.898 2.328 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)CC[C@@H]2C1 ZINC001164857153 720847558 /nfs/dbraw/zinc/84/75/58/720847558.db2.gz XURBXOLOXREXRP-CZUORRHYSA-N 1 1 400.857 2.325 20 30 HEEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164852663 720867660 /nfs/dbraw/zinc/86/76/60/720867660.db2.gz FDNFPHQHDHNYOA-VQIMIIECSA-N 1 1 415.538 2.111 20 30 HEEDMO N#Cc1nc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C#N ZINC001164962197 722056017 /nfs/dbraw/zinc/05/60/17/722056017.db2.gz BEIMVXZBFNKYMU-UHFFFAOYSA-N 1 1 423.908 2.387 20 30 HEEDMO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)CCOC2 ZINC001164983330 722150487 /nfs/dbraw/zinc/15/04/87/722150487.db2.gz UFZGXQXMWFHWSL-XMSQKQJNSA-N 1 1 405.502 2.148 20 30 HEEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2C1 ZINC000746506316 1078850068 /nfs/dbraw/zinc/85/00/68/1078850068.db2.gz LKYQMXOASYDUOM-UHFFFAOYSA-N 1 1 412.515 2.335 20 30 HEEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2)C1 ZINC000746330894 1078861577 /nfs/dbraw/zinc/86/15/77/1078861577.db2.gz ABXBZNQIIXSXNK-VNRULFPQSA-N 1 1 412.490 2.262 20 30 HEEDMO C[N@@H+](Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CCCCC1 ZINC000746373117 1078880215 /nfs/dbraw/zinc/88/02/15/1078880215.db2.gz WZFPAMCQZCAYJB-UHFFFAOYSA-N 1 1 408.506 2.426 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000770861830 1079043975 /nfs/dbraw/zinc/04/39/75/1079043975.db2.gz ZHPJDFLONZRCOA-UHFFFAOYSA-N 1 1 417.469 2.093 20 30 HEEDMO CC(C)C(=O)N1CCC[C@H]1C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770858271 1079041991 /nfs/dbraw/zinc/04/19/91/1079041991.db2.gz LIBYFPNYXGSTSU-QFIPXVFZSA-N 1 1 412.530 2.451 20 30 HEEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000770858793 1079042673 /nfs/dbraw/zinc/04/26/73/1079042673.db2.gz JXOROIBNGYBXOI-UHFFFAOYSA-N 1 1 417.469 2.093 20 30 HEEDMO C[C@@H](NC(=O)C(C)(C)C)C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770859690 1079042712 /nfs/dbraw/zinc/04/27/12/1079042712.db2.gz PJPFFVJOZYVMNK-GOSISDBHSA-N 1 1 400.519 2.354 20 30 HEEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc1 ZINC001169149252 1079166078 /nfs/dbraw/zinc/16/60/78/1079166078.db2.gz IIBHNEKMHLDEAJ-HXUWFJFHSA-N 1 1 413.543 2.464 20 30 HEEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(=C)C)C2 ZINC001109819329 1079202669 /nfs/dbraw/zinc/20/26/69/1079202669.db2.gz FLAARNAQKJABQY-PTXJCGOLSA-N 1 1 401.551 2.280 20 30 HEEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(=C)C)C2 ZINC001109819329 1079202672 /nfs/dbraw/zinc/20/26/72/1079202672.db2.gz FLAARNAQKJABQY-PTXJCGOLSA-N 1 1 401.551 2.280 20 30 HEEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000771321656 1079286187 /nfs/dbraw/zinc/28/61/87/1079286187.db2.gz ORSBUAABSCHBAK-MJGOQNOKSA-N 1 1 417.554 2.201 20 30 HEEDMO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001169604403 1079342164 /nfs/dbraw/zinc/34/21/64/1079342164.db2.gz LJQNMOQLYDVUGJ-GOSISDBHSA-N 1 1 401.511 2.339 20 30 HEEDMO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001169604403 1079342172 /nfs/dbraw/zinc/34/21/72/1079342172.db2.gz LJQNMOQLYDVUGJ-GOSISDBHSA-N 1 1 401.511 2.339 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628006 1079411275 /nfs/dbraw/zinc/41/12/75/1079411275.db2.gz DKVRDEYBJULVIO-HTAPYJJXSA-N 1 1 412.490 2.194 20 30 HEEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000771628006 1079411286 /nfs/dbraw/zinc/41/12/86/1079411286.db2.gz DKVRDEYBJULVIO-HTAPYJJXSA-N 1 1 412.490 2.194 20 30 HEEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000739839934 1076087510 /nfs/dbraw/zinc/08/75/10/1076087510.db2.gz XQBXCOKRIBILNZ-UHFFFAOYSA-N 1 1 404.434 2.208 20 30 HEEDMO CS(=O)(=O)c1ccc(OCCO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000742352800 1076829128 /nfs/dbraw/zinc/82/91/28/1076829128.db2.gz WTAUEEUKHHKVSB-UHFFFAOYSA-N 1 1 404.488 2.356 20 30 HEEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000743378093 1077045093 /nfs/dbraw/zinc/04/50/93/1077045093.db2.gz VSFYHVIVCUEDFW-ZJSXRUAMSA-N 1 1 417.513 2.489 20 30 HEEDMO Cc1cc(C=NN2C(=S)N=NC2[C@H]2CCCCO2)c(C)n1CC[NH+]1CCOCC1 ZINC000743452853 1077052062 /nfs/dbraw/zinc/05/20/62/1077052062.db2.gz ZVQHPFMIHRVPBY-GOSISDBHSA-N 1 1 418.567 2.441 20 30 HEEDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000743566316 1077069773 /nfs/dbraw/zinc/06/97/73/1077069773.db2.gz DYBLQKOFVODGRF-UHFFFAOYSA-N 1 1 423.517 2.067 20 30 HEEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000743913873 1077193094 /nfs/dbraw/zinc/19/30/94/1077193094.db2.gz MVXDPHWOFIBVPT-SJLPKXTDSA-N 1 1 419.497 2.029 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 ZINC000744364539 1077371940 /nfs/dbraw/zinc/37/19/40/1077371940.db2.gz LIRDRPCQUKIJSJ-UHFFFAOYSA-N 1 1 417.556 2.008 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744425455 1077388787 /nfs/dbraw/zinc/38/87/87/1077388787.db2.gz NMWDZQLCGHSEFZ-UHFFFAOYSA-N 1 1 406.446 2.153 20 30 HEEDMO Cc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(C)n1-c1nccs1 ZINC000744728354 1077557891 /nfs/dbraw/zinc/55/78/91/1077557891.db2.gz QYAKXHNUFSUHGY-UHFFFAOYSA-N 1 1 406.581 2.071 20 30 HEEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000744727597 1077558528 /nfs/dbraw/zinc/55/85/28/1077558528.db2.gz DDHAYVUJRJOBTM-UHFFFAOYSA-N 1 1 418.542 2.149 20 30 HEEDMO Cc1[nH+]ccn1CCCOC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000767487774 1079905064 /nfs/dbraw/zinc/90/50/64/1079905064.db2.gz RWGLAKDRRBENNU-QGZVFWFLSA-N 1 1 418.519 2.278 20 30 HEEDMO CN1c2ccccc2C(C)(C)C1=CC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000746498184 1080885288 /nfs/dbraw/zinc/88/52/88/1080885288.db2.gz YTHFPONWRNZPJX-FYVGXUMQSA-N 1 1 410.518 2.177 20 30 HEEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC000769162563 1080980281 /nfs/dbraw/zinc/98/02/81/1080980281.db2.gz ISEUAMGMZFPGOB-IBGZPJMESA-N 1 1 421.586 2.010 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741418 720706297 /nfs/dbraw/zinc/70/62/97/720706297.db2.gz SZTVZBDTYOSTQJ-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741418 720706306 /nfs/dbraw/zinc/70/63/06/720706306.db2.gz SZTVZBDTYOSTQJ-KGLIPLIRSA-N 1 1 406.824 2.283 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164746244 720829979 /nfs/dbraw/zinc/82/99/79/720829979.db2.gz YQLFMZXGWQVYOA-XYJFISCASA-N 1 1 412.929 2.281 20 30 HEEDMO N#Cc1cnc2cc[nH]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c1-2 ZINC001164750994 720842457 /nfs/dbraw/zinc/84/24/57/720842457.db2.gz XOFWUSIILUPRGI-ILZDJORESA-N 1 1 402.506 2.405 20 30 HEEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164806666 721555233 /nfs/dbraw/zinc/55/52/33/721555233.db2.gz QPLDFBCFHNWIQJ-KURKYZTESA-N 1 1 409.881 2.137 20 30 HEEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(C#N)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164806666 721555235 /nfs/dbraw/zinc/55/52/35/721555235.db2.gz QPLDFBCFHNWIQJ-KURKYZTESA-N 1 1 409.881 2.137 20 30 HEEDMO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963717 722061239 /nfs/dbraw/zinc/06/12/39/722061239.db2.gz CGDYLDUUUVBHAO-UHFFFAOYSA-N 1 1 421.501 2.254 20 30 HEEDMO C#C[C@@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000769962034 1078654790 /nfs/dbraw/zinc/65/47/90/1078654790.db2.gz WORITUUPRIOYTH-KWWJGWKXSA-N 1 1 405.907 2.446 20 30 HEEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000769962034 1078654793 /nfs/dbraw/zinc/65/47/93/1078654793.db2.gz WORITUUPRIOYTH-KWWJGWKXSA-N 1 1 405.907 2.446 20 30 HEEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000745845536 1078662805 /nfs/dbraw/zinc/66/28/05/1078662805.db2.gz AZTIJAUIOPQOTD-MJGOQNOKSA-N 1 1 402.564 2.302 20 30 HEEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000745845533 1078662888 /nfs/dbraw/zinc/66/28/88/1078662888.db2.gz AZTIJAUIOPQOTD-IEBWSBKVSA-N 1 1 402.564 2.302 20 30 HEEDMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1 ZINC000770562982 1078904278 /nfs/dbraw/zinc/90/42/78/1078904278.db2.gz ZSQPRKMHHXODTM-UHFFFAOYSA-N 1 1 417.517 2.028 20 30 HEEDMO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000746475238 1079029535 /nfs/dbraw/zinc/02/95/35/1079029535.db2.gz QDRFATFEGWBSFS-MUUNZHRXSA-N 1 1 422.620 2.213 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H]1CC[C@@H](C(=O)OCC)OC1)CC2 ZINC001169383931 1079254775 /nfs/dbraw/zinc/25/47/75/1079254775.db2.gz CMVSJXQWPLWIAW-UWJYYQICSA-N 1 1 403.523 2.465 20 30 HEEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H]1CC[C@@H](C(=O)OCC)OC1)CC2 ZINC001169383931 1079254792 /nfs/dbraw/zinc/25/47/92/1079254792.db2.gz CMVSJXQWPLWIAW-UWJYYQICSA-N 1 1 403.523 2.465 20 30 HEEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000771321661 1079285989 /nfs/dbraw/zinc/28/59/89/1079285989.db2.gz ORSBUAABSCHBAK-PKOBYXMFSA-N 1 1 417.554 2.201 20 30 HEEDMO CN(C(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000738330696 1075982942 /nfs/dbraw/zinc/98/29/42/1075982942.db2.gz VJMUUMNTIIHTCF-UHFFFAOYSA-N 1 1 421.586 2.156 20 30 HEEDMO CN(C(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000738330696 1075982946 /nfs/dbraw/zinc/98/29/46/1075982946.db2.gz VJMUUMNTIIHTCF-UHFFFAOYSA-N 1 1 421.586 2.156 20 30 HEEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000740878490 1076279375 /nfs/dbraw/zinc/27/93/75/1076279375.db2.gz IUCDTQZSWLXWJA-UHFFFAOYSA-N 1 1 418.538 2.430 20 30 HEEDMO C#CCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000741539460 1076542694 /nfs/dbraw/zinc/54/26/94/1076542694.db2.gz LRNRETJNRQKPTF-QHCPKHFHSA-N 1 1 417.509 2.434 20 30 HEEDMO CON=Cc1ccc(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)cc1 ZINC000742400743 1076837638 /nfs/dbraw/zinc/83/76/38/1076837638.db2.gz JPKIXFVMBIWEEN-UHFFFAOYSA-N 1 1 410.474 2.315 20 30 HEEDMO C[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742572639 1076852634 /nfs/dbraw/zinc/85/26/34/1076852634.db2.gz FHSQXIFRACOZIL-CVEARBPZSA-N 1 1 420.579 2.130 20 30 HEEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000743108713 1076957460 /nfs/dbraw/zinc/95/74/60/1076957460.db2.gz DRGGGOMAIHEMNY-UFIXSJTLSA-N 1 1 421.567 2.305 20 30 HEEDMO C[C@@H]1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC[N@H+]1C ZINC000743108958 1076957734 /nfs/dbraw/zinc/95/77/34/1076957734.db2.gz GBZHTPOIXZUNOW-XSAZEUPQSA-N 1 1 407.540 2.104 20 30 HEEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000743633760 1077084289 /nfs/dbraw/zinc/08/42/89/1077084289.db2.gz TZUDZKMBSSCSIW-LJQANCHMSA-N 1 1 419.529 2.116 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC000744366187 1077372464 /nfs/dbraw/zinc/37/24/64/1077372464.db2.gz GDACJTRZNOUNMV-KRWDZBQOSA-N 1 1 419.472 2.308 20 30 HEEDMO Cc1ccccc1CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000744443111 1077396369 /nfs/dbraw/zinc/39/63/69/1077396369.db2.gz RNBOKBAXPNTLAF-SFHVURJKSA-N 1 1 424.545 2.340 20 30 HEEDMO Oc1c(Br)cc(Br)cc1/C=N\C[C@@H]1C[NH+]2CCN1CC2 ZINC000746523356 1079664549 /nfs/dbraw/zinc/66/45/49/1079664549.db2.gz VPFMAEPZOPDPGS-JGSGYBEMSA-N 1 1 403.118 2.336 20 30 HEEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000767406515 1079836059 /nfs/dbraw/zinc/83/60/59/1079836059.db2.gz VHQTYFRTWDOVCG-UHFFFAOYSA-N 1 1 413.518 2.318 20 30 HEEDMO C#CCCN(CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)CC(F)(F)F ZINC000767497839 1079891419 /nfs/dbraw/zinc/89/14/19/1079891419.db2.gz NADJLHNILJCRNO-FQEVSTJZSA-N 1 1 422.451 2.418 20 30 HEEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Br)c(F)c1 ZINC000767755790 1080072198 /nfs/dbraw/zinc/07/21/98/1080072198.db2.gz VRTIZGRHCWXBQJ-UHFFFAOYSA-N 1 1 417.348 2.499 20 30 HEEDMO COc1cccc([C@@H](C#N)NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1OC ZINC000768151024 1080372351 /nfs/dbraw/zinc/37/23/51/1080372351.db2.gz CTOKFMYIKVKZRF-TZIWHRDSSA-N 1 1 408.502 2.373 20 30 HEEDMO C#CCCOc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000768214997 1080417001 /nfs/dbraw/zinc/41/70/01/1080417001.db2.gz MEFCDYYYLJEPAV-UHFFFAOYSA-N 1 1 408.527 2.476 20 30 HEEDMO CN1c2ccccc2C(C)(C)C1=CC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000746498179 1080885297 /nfs/dbraw/zinc/88/52/97/1080885297.db2.gz YTHFPONWRNZPJX-FMTUWFKASA-N 1 1 410.518 2.177 20 30 HEEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncc(Br)cn3)CC2)cc1 ZINC000786995564 1080906203 /nfs/dbraw/zinc/90/62/03/1080906203.db2.gz OERAIHHNOLYAKN-UHFFFAOYSA-N 1 1 400.280 2.459 20 30 HEEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncc(Br)cn3)CC2)cc1 ZINC000786995564 1080906218 /nfs/dbraw/zinc/90/62/18/1080906218.db2.gz OERAIHHNOLYAKN-UHFFFAOYSA-N 1 1 400.280 2.459 20 30 HEEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000746625737 1080949363 /nfs/dbraw/zinc/94/93/63/1080949363.db2.gz SLPMRZCRXZVGCR-GOSISDBHSA-N 1 1 413.543 2.239 20 30 HEEDMO C[NH+](C)CCCN(CCC#N)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787198268 1081059136 /nfs/dbraw/zinc/05/91/36/1081059136.db2.gz VDFMIBJCJWDGID-MRXNPFEDSA-N 1 1 418.542 2.442 20 30 HEEDMO COc1cc(Br)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c(OC)c1 ZINC000769398115 1081077305 /nfs/dbraw/zinc/07/73/05/1081077305.db2.gz WROZVAJEZFLIGJ-WUKNDPDISA-N 1 1 410.268 2.082 20 30 HEEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164687311 719729623 /nfs/dbraw/zinc/72/96/23/719729623.db2.gz VVRFHBISYMXIDV-SFHVURJKSA-N 1 1 422.508 2.452 20 30 HEEDMO N#Cc1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755429 720870840 /nfs/dbraw/zinc/87/08/40/720870840.db2.gz WUQFOZCEHVPKFO-NFBKMPQASA-N 1 1 404.518 2.498 20 30 HEEDMO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164884492 721413391 /nfs/dbraw/zinc/41/33/91/721413391.db2.gz DJKUUTYBYUAYDV-OXQOHEQNSA-N 1 1 404.946 2.076 20 30 HEEDMO N#Cc1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912344 721773897 /nfs/dbraw/zinc/77/38/97/721773897.db2.gz KSLRJRNGGZWSAQ-QHCPKHFHSA-N 1 1 416.485 2.004 20 30 HEEDMO N#Cc1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912344 721773899 /nfs/dbraw/zinc/77/38/99/721773899.db2.gz KSLRJRNGGZWSAQ-QHCPKHFHSA-N 1 1 416.485 2.004 20 30 HEEDMO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]c(C)ccc4CC#N)CCO3)C2)cs1 ZINC001164922316 721832703 /nfs/dbraw/zinc/83/27/03/721832703.db2.gz OBZBXLBHPQMAHL-OAQYLSRUSA-N 1 1 413.547 2.329 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164920828 721871118 /nfs/dbraw/zinc/87/11/18/721871118.db2.gz ASVDHXUELXKGPD-OALUTQOASA-N 1 1 414.626 2.312 20 30 HEEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164920828 721871120 /nfs/dbraw/zinc/87/11/20/721871120.db2.gz ASVDHXUELXKGPD-OALUTQOASA-N 1 1 414.626 2.312 20 30 HEEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000769656369 1078490924 /nfs/dbraw/zinc/49/09/24/1078490924.db2.gz DSGSJFLGSIAAPJ-KRWDZBQOSA-N 1 1 420.579 2.275 20 30 HEEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O ZINC000769962772 1078654151 /nfs/dbraw/zinc/65/41/51/1078654151.db2.gz KQVPEHCDIVCEII-QLENYVDCSA-N 1 1 415.515 2.191 20 30 HEEDMO C#C[C@@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O ZINC000769962772 1078654155 /nfs/dbraw/zinc/65/41/55/1078654155.db2.gz KQVPEHCDIVCEII-QLENYVDCSA-N 1 1 415.515 2.191 20 30 HEEDMO C#C[C@H](C)[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O ZINC000769962770 1078654331 /nfs/dbraw/zinc/65/43/31/1078654331.db2.gz KQVPEHCDIVCEII-LUJRCDHRSA-N 1 1 415.515 2.191 20 30 HEEDMO C#C[C@H](C)[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O ZINC000769962770 1078654336 /nfs/dbraw/zinc/65/43/36/1078654336.db2.gz KQVPEHCDIVCEII-LUJRCDHRSA-N 1 1 415.515 2.191 20 30 HEEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000745819831 1078663942 /nfs/dbraw/zinc/66/39/42/1078663942.db2.gz FARNZESWDROGCC-UYAOXDASSA-N 1 1 401.555 2.440 20 30 HEEDMO N#Cc1ccc(C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C2CC2)cc1 ZINC000746115682 1078803650 /nfs/dbraw/zinc/80/36/50/1078803650.db2.gz XNPXKENXYWKIAF-UHFFFAOYSA-N 1 1 409.490 2.199 20 30 HEEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000746220839 1078825222 /nfs/dbraw/zinc/82/52/22/1078825222.db2.gz ZIOFBFHOHXNMOB-LJQANCHMSA-N 1 1 404.470 2.399 20 30 HEEDMO C[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1Cc1ccccc1 ZINC000746285244 1078836433 /nfs/dbraw/zinc/83/64/33/1078836433.db2.gz OJILOHAEUIZAIY-RPKWCFIFSA-N 1 1 410.518 2.414 20 30 HEEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](CC[S@](C)=O)CC3)sc2C1 ZINC000746470324 1079019779 /nfs/dbraw/zinc/01/97/79/1079019779.db2.gz VYWFVHCAZVOEGT-JMGYQRAPSA-N 1 1 422.620 2.069 20 30 HEEDMO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC=CC(=O)C(F)(F)F ZINC001169474257 1079311950 /nfs/dbraw/zinc/31/19/50/1079311950.db2.gz YBIBHUNRMZUGRT-RPTYSRGTSA-N 1 1 403.401 2.244 20 30 HEEDMO COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC=CC(=O)C(F)(F)F ZINC001169474257 1079311953 /nfs/dbraw/zinc/31/19/53/1079311953.db2.gz YBIBHUNRMZUGRT-RPTYSRGTSA-N 1 1 403.401 2.244 20 30 HEEDMO C=CC[C@@H](Nc1nc(C[N@H+]2CC[C@@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(=O)OC ZINC001169836837 1079437147 /nfs/dbraw/zinc/43/71/47/1079437147.db2.gz PSRXRAVRUFUIIA-CRAIPNDOSA-N 1 1 418.538 2.410 20 30 HEEDMO N#Cc1ccc(CN2C(=O)CN(CN3CCC[N@@H+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000738022515 1075952251 /nfs/dbraw/zinc/95/22/51/1075952251.db2.gz JZWHCIZISBBWMH-UHFFFAOYSA-N 1 1 417.513 2.488 20 30 HEEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327232 1075981053 /nfs/dbraw/zinc/98/10/53/1075981053.db2.gz XTQAMUVHVPOGAI-GOSISDBHSA-N 1 1 421.586 2.202 20 30 HEEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327232 1075981055 /nfs/dbraw/zinc/98/10/55/1075981055.db2.gz XTQAMUVHVPOGAI-GOSISDBHSA-N 1 1 421.586 2.202 20 30 HEEDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc2F)CC1 ZINC000741344359 1076488575 /nfs/dbraw/zinc/48/85/75/1076488575.db2.gz GUFQOGJPZSQSCJ-OAQYLSRUSA-N 1 1 404.486 2.179 20 30 HEEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000741705650 1076599549 /nfs/dbraw/zinc/59/95/49/1076599549.db2.gz REWUUNYORRHYJD-SJLPKXTDSA-N 1 1 420.579 2.084 20 30 HEEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC[N@H+]1C ZINC000743109220 1076957936 /nfs/dbraw/zinc/95/79/36/1076957936.db2.gz RLZTZEOHHAGRJW-AEBCARIESA-N 1 1 421.567 2.446 20 30 HEEDMO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000743108996 1076958071 /nfs/dbraw/zinc/95/80/71/1076958071.db2.gz GWXDUFZOFLGSQH-DYTRJAOYSA-N 1 1 407.540 2.059 20 30 HEEDMO C#CCC[NH+]1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000744366334 1077369940 /nfs/dbraw/zinc/36/99/40/1077369940.db2.gz MZEZEWUIOCPMBU-LVZFUZTISA-N 1 1 402.458 2.099 20 30 HEEDMO 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