smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c2c(cnc1N1CC[C@@H]3[C@H]1CC[N@H+]3Cc1cccnc1)C[NH2+]CCC2 ZINC001164723635 720330551 /nfs/dbraw/zinc/33/05/51/720330551.db2.gz IHKGSIHGOPRAMG-NHCUHLMSSA-N 2 1 374.492 2.237 20 30 FEEDMP Cc1[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1CC#N ZINC001165004480 722256621 /nfs/dbraw/zinc/25/66/21/722256621.db2.gz SGCPLZKGWULNGJ-UHFFFAOYSA-N 2 1 368.485 2.141 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000104177154 543125386 /nfs/dbraw/zinc/12/53/86/543125386.db2.gz PVRUKUVPZMTWLC-SFHVURJKSA-N 2 1 372.517 2.203 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000106290949 543221793 /nfs/dbraw/zinc/22/17/93/543221793.db2.gz NANNPDLEQJJFRZ-UHFFFAOYSA-N 2 1 370.541 2.204 20 30 FEEDMP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000181751067 547374593 /nfs/dbraw/zinc/37/45/93/547374593.db2.gz IEHCMFTZZCLMFA-UHFFFAOYSA-N 2 1 356.514 2.223 20 30 FEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270535834 550281049 /nfs/dbraw/zinc/28/10/49/550281049.db2.gz AIZXXADZBLAEEY-NORZTCDRSA-N 2 1 356.873 2.411 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000273015955 550480945 /nfs/dbraw/zinc/48/09/45/550480945.db2.gz WKTCPUJWYQXXRO-GOSISDBHSA-N 2 1 354.454 2.189 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000288360209 552140300 /nfs/dbraw/zinc/14/03/00/552140300.db2.gz KOTJJSQSNQVGCP-HSZRJFAPSA-N 2 1 365.521 2.456 20 30 FEEDMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328645723 553802056 /nfs/dbraw/zinc/80/20/56/553802056.db2.gz GNMREDBKWINCPO-MSOLQXFVSA-N 2 1 364.534 2.152 20 30 FEEDMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+]1CCCCCC1 ZINC000329172506 553894868 /nfs/dbraw/zinc/89/48/68/553894868.db2.gz AGHDRBOJLNWFBE-OOKSDGMUSA-N 2 1 364.534 2.291 20 30 FEEDMP CCN1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@H]1c1ncc[nH]1 ZINC000329956035 554038643 /nfs/dbraw/zinc/03/86/43/554038643.db2.gz KZXPLBSAFHJCAR-BBWFWOEESA-N 2 1 362.522 2.123 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305577 /nfs/dbraw/zinc/30/55/77/560305577.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305578 /nfs/dbraw/zinc/30/55/78/560305578.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414498 560305579 /nfs/dbraw/zinc/30/55/79/560305579.db2.gz DDBXFMYWJUSBKQ-YGBDOONVSA-N 2 1 360.542 2.241 20 30 FEEDMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000462006165 560791931 /nfs/dbraw/zinc/79/19/31/560791931.db2.gz VHRWUWQYQGGSEK-KRWDZBQOSA-N 2 1 359.518 2.360 20 30 FEEDMP C=C(Br)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324787 670548318 /nfs/dbraw/zinc/54/83/18/670548318.db2.gz KCZXWITVPVUTFW-UHFFFAOYSA-N 2 1 360.340 2.311 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Br)c1 ZINC000303895140 673018461 /nfs/dbraw/zinc/01/84/61/673018461.db2.gz SZMVGSZNBDVOTQ-AWEZNQCLSA-N 2 1 369.307 2.217 20 30 FEEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000903446157 690894267 /nfs/dbraw/zinc/89/42/67/690894267.db2.gz UJEWXPNUOULTNU-KSSFIOAISA-N 2 1 360.889 2.292 20 30 FEEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000062507338 541150046 /nfs/dbraw/zinc/15/00/46/541150046.db2.gz VKJPONMQUZLJJS-QGZVFWFLSA-N 2 1 357.502 2.116 20 30 FEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081613820 542668178 /nfs/dbraw/zinc/66/81/78/542668178.db2.gz QURVZBMYMAIAER-VQTJNVASSA-N 2 1 354.498 2.323 20 30 FEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081613816 542668361 /nfs/dbraw/zinc/66/83/61/542668361.db2.gz QURVZBMYMAIAER-PMACEKPBSA-N 2 1 354.498 2.323 20 30 FEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc(OC)c1O ZINC000093132884 542911365 /nfs/dbraw/zinc/91/13/65/542911365.db2.gz KMKVIWJDZVVNFJ-LJQANCHMSA-N 2 1 359.514 2.341 20 30 FEEDMP C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000125957036 543911396 /nfs/dbraw/zinc/91/13/96/543911396.db2.gz YKLLVTAYXQPFAX-SFHVURJKSA-N 2 1 359.514 2.422 20 30 FEEDMP C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000125957036 543911398 /nfs/dbraw/zinc/91/13/98/543911398.db2.gz YKLLVTAYXQPFAX-SFHVURJKSA-N 2 1 359.514 2.422 20 30 FEEDMP CCC[NH+]1CCC(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000156370904 545622323 /nfs/dbraw/zinc/62/23/23/545622323.db2.gz WCCHYMHNRJOHGF-NRFANRHFSA-N 2 1 356.514 2.084 20 30 FEEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170912535 546182722 /nfs/dbraw/zinc/18/27/22/546182722.db2.gz WCJUJNNLSZIXCM-UHFFFAOYSA-N 2 1 352.486 2.146 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000173160751 546274874 /nfs/dbraw/zinc/27/48/74/546274874.db2.gz ICQVTHDZRVXRCW-HXUWFJFHSA-N 2 1 357.498 2.044 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000173160751 546274876 /nfs/dbraw/zinc/27/48/76/546274876.db2.gz ICQVTHDZRVXRCW-HXUWFJFHSA-N 2 1 357.498 2.044 20 30 FEEDMP N#Cc1ccc(CN2CCC([NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000181733081 547369628 /nfs/dbraw/zinc/36/96/28/547369628.db2.gz FRNXIIATBKPJEW-JOCHJYFZSA-N 2 1 370.541 2.349 20 30 FEEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261955264 549773430 /nfs/dbraw/zinc/77/34/30/549773430.db2.gz IOXVSBHKDVLEMJ-ONGXEEELSA-N 2 1 361.437 2.310 20 30 FEEDMP CCOCCC[NH+]=C(NCCn1cc[nH+]c1C)NCc1ccc(OC)cc1 ZINC000263991089 549964979 /nfs/dbraw/zinc/96/49/79/549964979.db2.gz VTCUUESPWGDLTC-UHFFFAOYSA-N 2 1 373.501 2.362 20 30 FEEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000264064786 549974857 /nfs/dbraw/zinc/97/48/57/549974857.db2.gz DRUFWAYFLIXYGU-UHFFFAOYSA-N 2 1 351.454 2.001 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536734 550383550 /nfs/dbraw/zinc/38/35/50/550383550.db2.gz XVEGPOCGDFYMBS-MGVNEBLISA-N 2 1 368.481 2.013 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536734 550383552 /nfs/dbraw/zinc/38/35/52/550383552.db2.gz XVEGPOCGDFYMBS-MGVNEBLISA-N 2 1 368.481 2.013 20 30 FEEDMP N#Cc1ccc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000286239864 551864760 /nfs/dbraw/zinc/86/47/60/551864760.db2.gz TYERQOVMUPKABW-NRFANRHFSA-N 2 1 356.514 2.354 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000505756243 561679518 /nfs/dbraw/zinc/67/95/18/561679518.db2.gz ZIBJKMQRUPCEGL-PKOBYXMFSA-N 2 1 372.513 2.200 20 30 FEEDMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618196 554975794 /nfs/dbraw/zinc/97/57/94/554975794.db2.gz WYQOMWDITWQBCJ-QUCCMNQESA-N 2 1 369.509 2.494 20 30 FEEDMP Cc1cc(N2CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc(C)[nH+]1 ZINC000363349743 555083552 /nfs/dbraw/zinc/08/35/52/555083552.db2.gz RNYKAGBYCKXEME-FQEVSTJZSA-N 2 1 372.517 2.049 20 30 FEEDMP Cc1cc(N2CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc(C)[nH+]1 ZINC000363349743 555083554 /nfs/dbraw/zinc/08/35/54/555083554.db2.gz RNYKAGBYCKXEME-FQEVSTJZSA-N 2 1 372.517 2.049 20 30 FEEDMP CCN1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000517023836 562071823 /nfs/dbraw/zinc/07/18/23/562071823.db2.gz IUJFGQAOSMGDON-UHFFFAOYSA-N 2 1 369.513 2.260 20 30 FEEDMP CCN1CCC([N@H+]2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000517023836 562071824 /nfs/dbraw/zinc/07/18/24/562071824.db2.gz IUJFGQAOSMGDON-UHFFFAOYSA-N 2 1 369.513 2.260 20 30 FEEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129665 562076636 /nfs/dbraw/zinc/07/66/36/562076636.db2.gz INIIHLWNCALRQZ-NHCUHLMSSA-N 2 1 358.530 2.085 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=N)N([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000371439154 557187375 /nfs/dbraw/zinc/18/73/75/557187375.db2.gz SJBMKFACVKIOPE-HUUCEWRRSA-N 2 1 365.481 2.273 20 30 FEEDMP C(#CC[N@@H+]1CCC[C@@H](n2cccn2)C1)C[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000375386546 558019154 /nfs/dbraw/zinc/01/91/54/558019154.db2.gz IQQNJXLYWCWPFO-WOJBJXKFSA-N 2 1 352.486 2.057 20 30 FEEDMP C(#CC[N@H+]1CCC[C@@H](n2cccn2)C1)C[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000375386546 558019155 /nfs/dbraw/zinc/01/91/55/558019155.db2.gz IQQNJXLYWCWPFO-WOJBJXKFSA-N 2 1 352.486 2.057 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049619 562274572 /nfs/dbraw/zinc/27/45/72/562274572.db2.gz GCTCEYZGDRJNKR-YRWFTTLQSA-N 2 1 354.498 2.295 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049619 562274573 /nfs/dbraw/zinc/27/45/73/562274573.db2.gz GCTCEYZGDRJNKR-YRWFTTLQSA-N 2 1 354.498 2.295 20 30 FEEDMP CCC([NH3+])(CC)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418445196 559401903 /nfs/dbraw/zinc/40/19/03/559401903.db2.gz XREKLWIAZCHSSA-UHFFFAOYSA-N 2 1 357.502 2.293 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000441250368 560027260 /nfs/dbraw/zinc/02/72/60/560027260.db2.gz QIQXFDWTIHSMKZ-QRVBRYPASA-N 2 1 356.470 2.070 20 30 FEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557803 567991379 /nfs/dbraw/zinc/99/13/79/567991379.db2.gz JGANRLKZLFIOJJ-GHTZIAJQSA-N 2 1 357.498 2.312 20 30 FEEDMP C[NH+]=C(NCc1ccc(Cl)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179077551 672398795 /nfs/dbraw/zinc/39/87/95/672398795.db2.gz MEXFNLGJWAATBP-CYBMUJFWSA-N 2 1 356.923 2.131 20 30 FEEDMP C[NH+]=C(NCc1nccn1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262390773 672914797 /nfs/dbraw/zinc/91/47/97/672914797.db2.gz MXAFGBHVXFPLHL-WMLDXEAASA-N 2 1 360.531 2.230 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1OC ZINC000303989628 673019752 /nfs/dbraw/zinc/01/97/52/673019752.db2.gz XSMLCKGLAHPNOU-AWEZNQCLSA-N 2 1 369.307 2.346 20 30 FEEDMP C[C@@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C ZINC000761802068 680731888 /nfs/dbraw/zinc/73/18/88/680731888.db2.gz SUFOFGZAINIBMF-OAHLLOKOSA-N 2 1 359.543 2.195 20 30 FEEDMP C[C@@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C ZINC000761802068 680731890 /nfs/dbraw/zinc/73/18/90/680731890.db2.gz SUFOFGZAINIBMF-OAHLLOKOSA-N 2 1 359.543 2.195 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001023994044 680277194 /nfs/dbraw/zinc/27/71/94/680277194.db2.gz XNDPEXWLNQIGNL-IIDMSEBBSA-N 2 1 360.527 2.288 20 30 FEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093133055 542910859 /nfs/dbraw/zinc/91/08/59/542910859.db2.gz BIONJQAQXLCZPE-IBGZPJMESA-N 2 1 359.514 2.472 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000106290655 543221810 /nfs/dbraw/zinc/22/18/10/543221810.db2.gz ACWNEULAFJNQDD-NRFANRHFSA-N 2 1 371.525 2.341 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131784919 544206727 /nfs/dbraw/zinc/20/67/27/544206727.db2.gz PCAVEAPZMFUTDJ-UYAOXDASSA-N 2 1 353.510 2.358 20 30 FEEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237912 327314797 /nfs/dbraw/zinc/31/47/97/327314797.db2.gz OQERPIGYSYGBQK-QGZVFWFLSA-N 2 1 370.497 2.462 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000176159205 546415584 /nfs/dbraw/zinc/41/55/84/546415584.db2.gz OLBKFGGFWMMUCE-UHFFFAOYSA-N 2 1 372.517 2.012 20 30 FEEDMP C=CC[N@H+](CCOC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191129943 548340616 /nfs/dbraw/zinc/34/06/16/548340616.db2.gz SFVZHVYJKCSWPC-SFHVURJKSA-N 2 1 359.514 2.290 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000193962062 548414185 /nfs/dbraw/zinc/41/41/85/548414185.db2.gz DDJNUFONCKAEPL-UHFFFAOYSA-N 2 1 366.509 2.467 20 30 FEEDMP CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264121769 549981409 /nfs/dbraw/zinc/98/14/09/549981409.db2.gz VGUBMXZQEPVJDZ-QAPCUYQASA-N 2 1 359.518 2.104 20 30 FEEDMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314705 550494178 /nfs/dbraw/zinc/49/41/78/550494178.db2.gz VGUOPGHVZMPHJC-VQIMIIECSA-N 2 1 354.498 2.417 20 30 FEEDMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273314705 550494179 /nfs/dbraw/zinc/49/41/79/550494179.db2.gz VGUOPGHVZMPHJC-VQIMIIECSA-N 2 1 354.498 2.417 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000274838554 550558467 /nfs/dbraw/zinc/55/84/67/550558467.db2.gz NWUDVWGYZKWGMH-LKUPVBHCSA-N 2 1 354.498 2.295 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000274838554 550558468 /nfs/dbraw/zinc/55/84/68/550558468.db2.gz NWUDVWGYZKWGMH-LKUPVBHCSA-N 2 1 354.498 2.295 20 30 FEEDMP C[N@H+]1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000281805595 551145085 /nfs/dbraw/zinc/14/50/85/551145085.db2.gz POJNIMSAYQAHMX-UHFFFAOYSA-N 2 1 371.451 2.136 20 30 FEEDMP C#CCCOc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000289829223 552385284 /nfs/dbraw/zinc/38/52/84/552385284.db2.gz OPLGATQDCXXAJR-UHFFFAOYSA-N 2 1 369.509 2.075 20 30 FEEDMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1C ZINC000329020549 553865808 /nfs/dbraw/zinc/86/58/08/553865808.db2.gz HSGSNNPLYUDULY-JFRXWTBNSA-N 2 1 366.550 2.083 20 30 FEEDMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000329818337 554011439 /nfs/dbraw/zinc/01/14/39/554011439.db2.gz XALCJMVJEUSQLF-YLJYHZDGSA-N 2 1 369.513 2.463 20 30 FEEDMP CN1CCO[C@@H](C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858651 554020167 /nfs/dbraw/zinc/02/01/67/554020167.db2.gz OEIISPCUCMAKIG-DOTOQJQBSA-N 2 1 360.458 2.352 20 30 FEEDMP C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703295 554982164 /nfs/dbraw/zinc/98/21/64/554982164.db2.gz PYRIJDXNMAHCTJ-WIYYLYMNSA-N 2 1 356.514 2.285 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000368692500 556386707 /nfs/dbraw/zinc/38/67/07/556386707.db2.gz NRYWHVXCPREEND-GOSISDBHSA-N 2 1 351.454 2.223 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472059 558033130 /nfs/dbraw/zinc/03/31/30/558033130.db2.gz NAJNLXNPHJUIJC-BGSOWLKRSA-N 2 1 360.542 2.480 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000375472059 558033132 /nfs/dbraw/zinc/03/31/32/558033132.db2.gz NAJNLXNPHJUIJC-BGSOWLKRSA-N 2 1 360.542 2.480 20 30 FEEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000375472059 558033134 /nfs/dbraw/zinc/03/31/34/558033134.db2.gz NAJNLXNPHJUIJC-BGSOWLKRSA-N 2 1 360.542 2.480 20 30 FEEDMP C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741879 558075749 /nfs/dbraw/zinc/07/57/49/558075749.db2.gz FXQRKRBSVKKFSD-GHTZIAJQSA-N 2 1 354.498 2.345 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741881 558075768 /nfs/dbraw/zinc/07/57/68/558075768.db2.gz FXQRKRBSVKKFSD-NQIIRXRSSA-N 2 1 354.498 2.345 20 30 FEEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822956 558426909 /nfs/dbraw/zinc/42/69/09/558426909.db2.gz DVPVNQKWFGEJEI-SJORKVTESA-N 2 1 351.454 2.431 20 30 FEEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000469993125 560970965 /nfs/dbraw/zinc/97/09/65/560970965.db2.gz RVUHJNGPXJDHQZ-OAHLLOKOSA-N 2 1 351.878 2.192 20 30 FEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000602709274 568018583 /nfs/dbraw/zinc/01/85/83/568018583.db2.gz JCWHBMPMHQJUNF-YLJYHZDGSA-N 2 1 357.498 2.442 20 30 FEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652305 674963772 /nfs/dbraw/zinc/96/37/72/674963772.db2.gz XGFQPSSZKNGINP-QGZVFWFLSA-N 2 1 365.543 2.323 20 30 FEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652305 674963776 /nfs/dbraw/zinc/96/37/76/674963776.db2.gz XGFQPSSZKNGINP-QGZVFWFLSA-N 2 1 365.543 2.323 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000303888142 673018407 /nfs/dbraw/zinc/01/84/07/673018407.db2.gz LGCBNIUYGXCRPQ-ZDUSSCGKSA-N 2 1 356.417 2.185 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296513 680503227 /nfs/dbraw/zinc/50/32/27/680503227.db2.gz IBBYLAMYUUQNGO-INMHGKMJSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041296513 680503230 /nfs/dbraw/zinc/50/32/30/680503230.db2.gz IBBYLAMYUUQNGO-INMHGKMJSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296513 680503234 /nfs/dbraw/zinc/50/32/34/680503234.db2.gz IBBYLAMYUUQNGO-INMHGKMJSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296513 680503237 /nfs/dbraw/zinc/50/32/37/680503237.db2.gz IBBYLAMYUUQNGO-INMHGKMJSA-N 2 1 370.335 2.160 20 30 FEEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1F ZINC000912498575 685387093 /nfs/dbraw/zinc/38/70/93/685387093.db2.gz BLADBDOEUZYWHM-UHFFFAOYSA-N 2 1 350.482 2.382 20 30 FEEDMP CC(C)(C)[NH+]=C(NCc1cccs1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000912506511 685388427 /nfs/dbraw/zinc/38/84/27/685388427.db2.gz OBZRIQAEANHVMA-LSDHHAIUSA-N 2 1 350.532 2.445 20 30 FEEDMP C=C(Br)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050523733 681049388 /nfs/dbraw/zinc/04/93/88/681049388.db2.gz IBXVFQHQTCLPJR-HUUCEWRRSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050523733 681049391 /nfs/dbraw/zinc/04/93/91/681049391.db2.gz IBXVFQHQTCLPJR-HUUCEWRRSA-N 2 1 370.335 2.160 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075007499 542144981 /nfs/dbraw/zinc/14/49/81/542144981.db2.gz RKHSJNBHOVLMLI-XLIONFOSSA-N 2 1 366.550 2.252 20 30 FEEDMP Cc1[nH+]ccn1CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000080053116 542560289 /nfs/dbraw/zinc/56/02/89/542560289.db2.gz FVXYZGXEWHFXIS-UHFFFAOYSA-N 2 1 368.485 2.227 20 30 FEEDMP CN(CCC#N)c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000105451745 543173702 /nfs/dbraw/zinc/17/37/02/543173702.db2.gz XHQCJMVUKHJQPR-UHFFFAOYSA-N 2 1 357.546 2.400 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000187020467 548243193 /nfs/dbraw/zinc/24/31/93/548243193.db2.gz PMTPLFHHRGRTDD-QZTJIDSGSA-N 2 1 364.534 2.056 20 30 FEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000187020467 548243195 /nfs/dbraw/zinc/24/31/95/548243195.db2.gz PMTPLFHHRGRTDD-QZTJIDSGSA-N 2 1 364.534 2.056 20 30 FEEDMP C=CCN(CCOC)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000191114073 548340170 /nfs/dbraw/zinc/34/01/70/548340170.db2.gz GIPDFEZGJSTKHS-UHFFFAOYSA-N 2 1 359.514 2.164 20 30 FEEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1O ZINC000277476778 550675244 /nfs/dbraw/zinc/67/52/44/550675244.db2.gz KHWBPVRLDLICHL-LBPRGKRZSA-N 2 1 355.280 2.043 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1O ZINC000277476778 550675245 /nfs/dbraw/zinc/67/52/45/550675245.db2.gz KHWBPVRLDLICHL-LBPRGKRZSA-N 2 1 355.280 2.043 20 30 FEEDMP C[N@H+]1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000281854512 551148597 /nfs/dbraw/zinc/14/85/97/551148597.db2.gz UWGGPRRLKADLSS-UHFFFAOYSA-N 2 1 373.423 2.338 20 30 FEEDMP C[NH+]1CCC[C@@H](CNc2nc(NC[C@H]3CCC[N@H+](C)C3)ccc2C#N)C1 ZINC000302892233 553740944 /nfs/dbraw/zinc/74/09/44/553740944.db2.gz PZJDSSPYWHCBAI-SJORKVTESA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@H](CNc2ccc(C#N)c(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000302892233 553740945 /nfs/dbraw/zinc/74/09/45/553740945.db2.gz PZJDSSPYWHCBAI-SJORKVTESA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@H](CNc2ccc(C#N)c(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000302892233 553740947 /nfs/dbraw/zinc/74/09/47/553740947.db2.gz PZJDSSPYWHCBAI-SJORKVTESA-N 2 1 356.518 2.461 20 30 FEEDMP C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3cscn3)CC2)CC[N@H+]1C ZINC000329799744 554008198 /nfs/dbraw/zinc/00/81/98/554008198.db2.gz HSRRNLKMXYGQII-CABCVRRESA-N 2 1 351.520 2.048 20 30 FEEDMP CCN1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@@H]1c1ncc[nH]1 ZINC000329956037 554038548 /nfs/dbraw/zinc/03/85/48/554038548.db2.gz KZXPLBSAFHJCAR-GVDBMIGSSA-N 2 1 362.522 2.123 20 30 FEEDMP CC[N@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000330324181 554105636 /nfs/dbraw/zinc/10/56/36/554105636.db2.gz IGEYYWCDNQHDNG-OTWHNJEPSA-N 2 1 359.518 2.405 20 30 FEEDMP CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000330324181 554105638 /nfs/dbraw/zinc/10/56/38/554105638.db2.gz IGEYYWCDNQHDNG-OTWHNJEPSA-N 2 1 359.518 2.405 20 30 FEEDMP CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000330324181 554105640 /nfs/dbraw/zinc/10/56/40/554105640.db2.gz IGEYYWCDNQHDNG-OTWHNJEPSA-N 2 1 359.518 2.405 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(C#N)cn1C ZINC000363594756 555143837 /nfs/dbraw/zinc/14/38/37/555143837.db2.gz FRQHKVJQKZINAW-UHFFFAOYSA-N 2 1 371.529 2.165 20 30 FEEDMP C=CCCS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363824436 555194030 /nfs/dbraw/zinc/19/40/30/555194030.db2.gz MZROJZWIICKIDA-UHFFFAOYSA-N 2 1 357.564 2.020 20 30 FEEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368417936 556303088 /nfs/dbraw/zinc/30/30/88/556303088.db2.gz VFYAHFORLTUCHT-QXAKKESOSA-N 2 1 373.497 2.425 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370711140 556946488 /nfs/dbraw/zinc/94/64/88/556946488.db2.gz WBNLIHNDGOMMPY-WAOWUJCRSA-N 2 1 356.514 2.435 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370711140 556946490 /nfs/dbraw/zinc/94/64/90/556946490.db2.gz WBNLIHNDGOMMPY-WAOWUJCRSA-N 2 1 356.514 2.435 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000371288874 557133052 /nfs/dbraw/zinc/13/30/52/557133052.db2.gz GAZCETFJHJGKTE-CEXWTWQISA-N 2 1 356.470 2.070 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891360 558094561 /nfs/dbraw/zinc/09/45/61/558094561.db2.gz QMESIMOJQCCGDE-LJQANCHMSA-N 2 1 372.513 2.046 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000418292988 559396668 /nfs/dbraw/zinc/39/66/68/559396668.db2.gz DODSHLBGCGSMAS-UHFFFAOYSA-N 2 1 369.513 2.437 20 30 FEEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000469993124 560970942 /nfs/dbraw/zinc/97/09/42/560970942.db2.gz RVUHJNGPXJDHQZ-HNNXBMFYSA-N 2 1 351.878 2.192 20 30 FEEDMP C=C(Br)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827826 675015905 /nfs/dbraw/zinc/01/59/05/675015905.db2.gz IJKJNWABDXDZLL-XUWVNRHRSA-N 2 1 370.335 2.016 20 30 FEEDMP C=C(Br)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827826 675015906 /nfs/dbraw/zinc/01/59/06/675015906.db2.gz IJKJNWABDXDZLL-XUWVNRHRSA-N 2 1 370.335 2.016 20 30 FEEDMP C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827826 675015907 /nfs/dbraw/zinc/01/59/07/675015907.db2.gz IJKJNWABDXDZLL-XUWVNRHRSA-N 2 1 370.335 2.016 20 30 FEEDMP C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827826 675015908 /nfs/dbraw/zinc/01/59/08/675015908.db2.gz IJKJNWABDXDZLL-XUWVNRHRSA-N 2 1 370.335 2.016 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncc(Cl)cc1Cl ZINC000126155471 672020947 /nfs/dbraw/zinc/02/09/47/672020947.db2.gz JVUYPMGRIXDNEQ-GFCCVEGCSA-N 2 1 360.289 2.156 20 30 FEEDMP C[NH+]=C(NCc1noc(C)n1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262353996 672913792 /nfs/dbraw/zinc/91/37/92/672913792.db2.gz FQGLGVHUWFGDOU-XJKSGUPXSA-N 2 1 362.503 2.188 20 30 FEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303975524 673019183 /nfs/dbraw/zinc/01/91/83/673019183.db2.gz JDIZHDBQOONTCR-IAGOWNOFSA-N 2 1 353.555 2.048 20 30 FEEDMP C[C@H]1C[N@H+](C)CC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000752157886 680225876 /nfs/dbraw/zinc/22/58/76/680225876.db2.gz FGNZOLGOWWUQSX-HNNXBMFYSA-N 2 1 359.543 2.053 20 30 FEEDMP C[C@H]1C[N@@H+](C)CC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000752157886 680225877 /nfs/dbraw/zinc/22/58/77/680225877.db2.gz FGNZOLGOWWUQSX-HNNXBMFYSA-N 2 1 359.543 2.053 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376668 680459966 /nfs/dbraw/zinc/45/99/66/680459966.db2.gz INTGIFBTYDIANM-QZTJIDSGSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376668 680459969 /nfs/dbraw/zinc/45/99/69/680459969.db2.gz INTGIFBTYDIANM-QZTJIDSGSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376668 680459974 /nfs/dbraw/zinc/45/99/74/680459974.db2.gz INTGIFBTYDIANM-QZTJIDSGSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376668 680459977 /nfs/dbraw/zinc/45/99/77/680459977.db2.gz INTGIFBTYDIANM-QZTJIDSGSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000104652302 543136360 /nfs/dbraw/zinc/13/63/60/543136360.db2.gz CYLSLDPPHZXRPO-UHFFFAOYSA-N 2 1 353.510 2.455 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000106290651 543221477 /nfs/dbraw/zinc/22/14/77/543221477.db2.gz ACWNEULAFJNQDD-OAQYLSRUSA-N 2 1 371.525 2.341 20 30 FEEDMP C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000125957259 543910998 /nfs/dbraw/zinc/91/09/98/543910998.db2.gz YKLLVTAYXQPFAX-GOSISDBHSA-N 2 1 359.514 2.422 20 30 FEEDMP C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000125957259 543911001 /nfs/dbraw/zinc/91/10/01/543911001.db2.gz YKLLVTAYXQPFAX-GOSISDBHSA-N 2 1 359.514 2.422 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133060778 544254437 /nfs/dbraw/zinc/25/44/37/544254437.db2.gz NSAWHXVIDBSDCO-HXUWFJFHSA-N 2 1 357.498 2.044 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133060778 544254439 /nfs/dbraw/zinc/25/44/39/544254439.db2.gz NSAWHXVIDBSDCO-HXUWFJFHSA-N 2 1 357.498 2.044 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Br)cn1C ZINC000159476365 545957687 /nfs/dbraw/zinc/95/76/87/545957687.db2.gz PPBCEFMDYBAODF-ZDUSSCGKSA-N 2 1 370.339 2.137 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@H](CCC)C2)CC1 ZINC000161762903 546134519 /nfs/dbraw/zinc/13/45/19/546134519.db2.gz TWRJRKGKRLEQAU-LJQANCHMSA-N 2 1 366.550 2.169 20 30 FEEDMP CN(CCC#N)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000171922605 546231021 /nfs/dbraw/zinc/23/10/21/546231021.db2.gz TVWLYKDLYRXDPL-UHFFFAOYSA-N 2 1 355.530 2.250 20 30 FEEDMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1 ZINC000269656444 550214147 /nfs/dbraw/zinc/21/41/47/550214147.db2.gz NIMKNMQZPGXPOC-UHFFFAOYSA-N 2 1 356.514 2.427 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274796776 550555045 /nfs/dbraw/zinc/55/50/45/550555045.db2.gz DKPZWCWDUYHVKD-QWFCFKBJSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274796776 550555046 /nfs/dbraw/zinc/55/50/46/550555046.db2.gz DKPZWCWDUYHVKD-QWFCFKBJSA-N 2 1 356.514 2.495 20 30 FEEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)cc1 ZINC000278606591 550803608 /nfs/dbraw/zinc/80/36/08/550803608.db2.gz LNWJPTZRNYOYKU-UHFFFAOYSA-N 2 1 352.482 2.221 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)cc1 ZINC000278606591 550803610 /nfs/dbraw/zinc/80/36/10/550803610.db2.gz LNWJPTZRNYOYKU-UHFFFAOYSA-N 2 1 352.482 2.221 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000505755119 561679448 /nfs/dbraw/zinc/67/94/48/561679448.db2.gz PZXSBUJPYUXHJM-FQEVSTJZSA-N 2 1 356.514 2.365 20 30 FEEDMP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000328728298 553813055 /nfs/dbraw/zinc/81/30/55/553813055.db2.gz VNBOTXXGHLXMAQ-QGZVFWFLSA-N 2 1 374.533 2.298 20 30 FEEDMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000328728298 553813057 /nfs/dbraw/zinc/81/30/57/553813057.db2.gz VNBOTXXGHLXMAQ-QGZVFWFLSA-N 2 1 374.533 2.298 20 30 FEEDMP C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329517977 553961018 /nfs/dbraw/zinc/96/10/18/553961018.db2.gz NJAAOGSYZMOUQY-BZSNNMDCSA-N 2 1 359.518 2.279 20 30 FEEDMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329517977 553961019 /nfs/dbraw/zinc/96/10/19/553961019.db2.gz NJAAOGSYZMOUQY-BZSNNMDCSA-N 2 1 359.518 2.279 20 30 FEEDMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329517977 553961023 /nfs/dbraw/zinc/96/10/23/553961023.db2.gz NJAAOGSYZMOUQY-BZSNNMDCSA-N 2 1 359.518 2.279 20 30 FEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329958399 554038912 /nfs/dbraw/zinc/03/89/12/554038912.db2.gz QPFRIQKLENJAPX-CEXWTWQISA-N 2 1 365.481 2.176 20 30 FEEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329958399 554038915 /nfs/dbraw/zinc/03/89/15/554038915.db2.gz QPFRIQKLENJAPX-CEXWTWQISA-N 2 1 365.481 2.176 20 30 FEEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000331550168 554284065 /nfs/dbraw/zinc/28/40/65/554284065.db2.gz MXZAIJCQNNKQCU-GOSISDBHSA-N 2 1 360.477 2.367 20 30 FEEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236021 555060828 /nfs/dbraw/zinc/06/08/28/555060828.db2.gz IYQMEYVEJXOKOI-LZQZEXGQSA-N 2 1 353.470 2.185 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236021 555060829 /nfs/dbraw/zinc/06/08/29/555060829.db2.gz IYQMEYVEJXOKOI-LZQZEXGQSA-N 2 1 353.470 2.185 20 30 FEEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000371425639 557182945 /nfs/dbraw/zinc/18/29/45/557182945.db2.gz UFPGKLKGGKPKDY-HXUWFJFHSA-N 2 1 356.514 2.287 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000418408335 559400548 /nfs/dbraw/zinc/40/05/48/559400548.db2.gz GIWPLWQTGKRPNX-PMACEKPBSA-N 2 1 369.513 2.293 20 30 FEEDMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000420630264 559494436 /nfs/dbraw/zinc/49/44/36/559494436.db2.gz SSLPXMIHKNQENV-UHFFFAOYSA-N 2 1 357.458 2.463 20 30 FEEDMP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000420630264 559494437 /nfs/dbraw/zinc/49/44/37/559494437.db2.gz SSLPXMIHKNQENV-UHFFFAOYSA-N 2 1 357.458 2.463 20 30 FEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000442717992 560055122 /nfs/dbraw/zinc/05/51/22/560055122.db2.gz PMPRJTGVCITJKM-SJLPKXTDSA-N 2 1 356.470 2.129 20 30 FEEDMP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453928 560687314 /nfs/dbraw/zinc/68/73/14/560687314.db2.gz DHAGMKOXWNQRAL-FUHWJXTLSA-N 2 1 360.889 2.266 20 30 FEEDMP C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1ccnc1 ZINC000528426415 562328672 /nfs/dbraw/zinc/32/86/72/562328672.db2.gz SZDYIQITPPDXQT-QFBILLFUSA-N 2 1 362.433 2.066 20 30 FEEDMP C[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1ccnc1 ZINC000528426415 562328673 /nfs/dbraw/zinc/32/86/73/562328673.db2.gz SZDYIQITPPDXQT-QFBILLFUSA-N 2 1 362.433 2.066 20 30 FEEDMP C[NH+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000570794261 670770125 /nfs/dbraw/zinc/77/01/25/670770125.db2.gz GLFQDABFGBTXJO-UHFFFAOYSA-N 2 1 357.479 2.183 20 30 FEEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144213 675911781 /nfs/dbraw/zinc/91/17/81/675911781.db2.gz BMJGPRULJNAGQP-MELADBBJSA-N 2 1 358.511 2.224 20 30 FEEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144213 675911782 /nfs/dbraw/zinc/91/17/82/675911782.db2.gz BMJGPRULJNAGQP-MELADBBJSA-N 2 1 358.511 2.224 20 30 FEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C#N)s3)CC2)CC1 ZINC000584301480 672175025 /nfs/dbraw/zinc/17/50/25/672175025.db2.gz VNJBILMRKFAUPF-UHFFFAOYSA-N 2 1 360.527 2.432 20 30 FEEDMP C[NH+]=C(NCc1ccnn1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262347331 672913876 /nfs/dbraw/zinc/91/38/76/672913876.db2.gz DMRFEAUOLIFXGN-WMLDXEAASA-N 2 1 360.531 2.230 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)c(F)c1 ZINC000303898640 673018423 /nfs/dbraw/zinc/01/84/23/673018423.db2.gz VOBGCXWSAXPIJC-LBPRGKRZSA-N 2 1 357.271 2.477 20 30 FEEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC000830252837 677032200 /nfs/dbraw/zinc/03/22/00/677032200.db2.gz HTGCUFZBEKLTJC-UHFFFAOYSA-N 2 1 359.499 2.104 20 30 FEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661118446 678437124 /nfs/dbraw/zinc/43/71/24/678437124.db2.gz DVNIZHUBITUDIP-QYZOEREBSA-N 2 1 351.535 2.184 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033834659 680425088 /nfs/dbraw/zinc/42/50/88/680425088.db2.gz SDHGUWGZQKHGDQ-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033834659 680425093 /nfs/dbraw/zinc/42/50/93/680425093.db2.gz SDHGUWGZQKHGDQ-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033834659 680425097 /nfs/dbraw/zinc/42/50/97/680425097.db2.gz SDHGUWGZQKHGDQ-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033834659 680425099 /nfs/dbraw/zinc/42/50/99/680425099.db2.gz SDHGUWGZQKHGDQ-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000912507651 685388815 /nfs/dbraw/zinc/38/88/15/685388815.db2.gz YYFMYIAEMAVILZ-HZPDHXFCSA-N 2 1 364.559 2.488 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000876759710 686262129 /nfs/dbraw/zinc/26/21/29/686262129.db2.gz QVPVEXNWEUSZDP-HNNXBMFYSA-N 2 1 354.882 2.090 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000876759711 686262367 /nfs/dbraw/zinc/26/23/67/686262367.db2.gz QVPVEXNWEUSZDP-OAHLLOKOSA-N 2 1 354.882 2.090 20 30 FEEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000109756001 543337950 /nfs/dbraw/zinc/33/79/50/543337950.db2.gz YXEHQOVWUNBNEI-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000109756001 543337951 /nfs/dbraw/zinc/33/79/51/543337951.db2.gz YXEHQOVWUNBNEI-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000125553641 543887780 /nfs/dbraw/zinc/88/77/80/543887780.db2.gz ZIBJKMQRUPCEGL-MJGOQNOKSA-N 2 1 372.513 2.200 20 30 FEEDMP N#Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000174371072 327322576 /nfs/dbraw/zinc/32/25/76/327322576.db2.gz FAWLJBGTXZBBHQ-QGZVFWFLSA-N 2 1 352.438 2.138 20 30 FEEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000174371072 327322577 /nfs/dbraw/zinc/32/25/77/327322577.db2.gz FAWLJBGTXZBBHQ-QGZVFWFLSA-N 2 1 352.438 2.138 20 30 FEEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000174371072 327322578 /nfs/dbraw/zinc/32/25/78/327322578.db2.gz FAWLJBGTXZBBHQ-QGZVFWFLSA-N 2 1 352.438 2.138 20 30 FEEDMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccccc3C#N)CC2)CC1 ZINC000269664357 329538416 /nfs/dbraw/zinc/53/84/16/329538416.db2.gz PNJHNBJKDXMWEE-UHFFFAOYSA-N 2 1 356.514 2.427 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000172185610 546240069 /nfs/dbraw/zinc/24/00/69/546240069.db2.gz BQHRZZPTDXAIGO-XLIONFOSSA-N 2 1 371.529 2.242 20 30 FEEDMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000483209126 561270597 /nfs/dbraw/zinc/27/05/97/561270597.db2.gz JKUHITBATRTOBP-UHFFFAOYSA-N 2 1 365.437 2.113 20 30 FEEDMP Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267454516 550031834 /nfs/dbraw/zinc/03/18/34/550031834.db2.gz SLBAJFUGLDUFEI-UXHICEINSA-N 2 1 374.529 2.089 20 30 FEEDMP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562266 550458206 /nfs/dbraw/zinc/45/82/06/550458206.db2.gz GUMVMTXFDOQYMW-WLOXRLQYSA-N 2 1 368.481 2.013 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603123312 553712763 /nfs/dbraw/zinc/71/27/63/553712763.db2.gz VHEATYNNCXPMGS-KRWDZBQOSA-N 2 1 358.490 2.142 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000305631269 553748324 /nfs/dbraw/zinc/74/83/24/553748324.db2.gz FPTQRJIJZYGLKU-GOEBONIOSA-N 2 1 356.474 2.229 20 30 FEEDMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)C[C@@H](C)O1 ZINC000328737546 553814334 /nfs/dbraw/zinc/81/43/34/553814334.db2.gz HBZBFGSVEJROEK-JXXFODFXSA-N 2 1 362.518 2.456 20 30 FEEDMP CN(C[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(N(C)C[C@H]2CCC[NH+]2C)n1 ZINC000420645072 559494965 /nfs/dbraw/zinc/49/49/65/559494965.db2.gz ZWQMRLBMNLEGMG-QZTJIDSGSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@H]1CCC[NH+]1C)c1ccc(C#N)c(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420645072 559494966 /nfs/dbraw/zinc/49/49/66/559494966.db2.gz ZWQMRLBMNLEGMG-QZTJIDSGSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@H]1CCC[NH+]1C)c1ccc(C#N)c(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420645072 559494967 /nfs/dbraw/zinc/49/49/67/559494967.db2.gz ZWQMRLBMNLEGMG-QZTJIDSGSA-N 2 1 356.518 2.014 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732428 560055427 /nfs/dbraw/zinc/05/54/27/560055427.db2.gz YJPXKBIOQGALJG-ACBHZAAOSA-N 2 1 363.550 2.374 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000104173916 670790572 /nfs/dbraw/zinc/79/05/72/670790572.db2.gz HAMRUMDETFXOQQ-SFHVURJKSA-N 2 1 361.559 2.128 20 30 FEEDMP C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262005146 672907569 /nfs/dbraw/zinc/90/75/69/672907569.db2.gz VJYZEACOPUVVNT-BLLLJJGKSA-N 2 1 360.893 2.135 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCSc1ccc(Cl)cc1 ZINC000303787048 673017453 /nfs/dbraw/zinc/01/74/53/673017453.db2.gz SALXVJYHADADQY-UHFFFAOYSA-N 2 1 356.923 2.059 20 30 FEEDMP N#Cc1c(NC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)sc2c1CCCCC2 ZINC000603867338 675801592 /nfs/dbraw/zinc/80/15/92/675801592.db2.gz MYBUEYCRNWPIHC-KBPBESRZSA-N 2 1 358.511 2.368 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000998794453 680389770 /nfs/dbraw/zinc/38/97/70/680389770.db2.gz QCSCXVSFEXYNTK-JOCCRWCTSA-N 2 1 360.527 2.429 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089595260 542765943 /nfs/dbraw/zinc/76/59/43/542765943.db2.gz FPTQRJIJZYGLKU-ZBFHGGJFSA-N 2 1 356.474 2.229 20 30 FEEDMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000097176702 543007158 /nfs/dbraw/zinc/00/71/58/543007158.db2.gz RQSKPXDTGSZHMG-HXUWFJFHSA-N 2 1 371.529 2.363 20 30 FEEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000104138186 543124133 /nfs/dbraw/zinc/12/41/33/543124133.db2.gz IWGHOVHDDFROSS-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000104138186 543124137 /nfs/dbraw/zinc/12/41/37/543124137.db2.gz IWGHOVHDDFROSS-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000104138186 543124141 /nfs/dbraw/zinc/12/41/41/543124141.db2.gz IWGHOVHDDFROSS-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000104138186 543124143 /nfs/dbraw/zinc/12/41/43/543124143.db2.gz IWGHOVHDDFROSS-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000249746451 549623363 /nfs/dbraw/zinc/62/33/63/549623363.db2.gz NPPCTRIKIZLQTI-HKUYNNGSSA-N 2 1 372.513 2.200 20 30 FEEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262010020 549779820 /nfs/dbraw/zinc/77/98/20/549779820.db2.gz WJQYZYLBFQEYPU-KBXCAEBGSA-N 2 1 353.470 2.489 20 30 FEEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266383137 550020052 /nfs/dbraw/zinc/02/00/52/550020052.db2.gz NCKBKHBHPKXXDY-UHFFFAOYSA-N 2 1 359.474 2.079 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476677 550276144 /nfs/dbraw/zinc/27/61/44/550276144.db2.gz IRPAJQBVXZZFOL-LJQANCHMSA-N 2 1 372.513 2.006 20 30 FEEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270538547 550281715 /nfs/dbraw/zinc/28/17/15/550281715.db2.gz BGSBAYVQPSYHGW-CJNGLKHVSA-N 2 1 354.857 2.119 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283890868 551444809 /nfs/dbraw/zinc/44/48/09/551444809.db2.gz HLBXYUSWFHGQGJ-GOSISDBHSA-N 3 1 373.545 2.048 20 30 FEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc1 ZINC000284994836 551685465 /nfs/dbraw/zinc/68/54/65/551685465.db2.gz HOWDNIYYGNNWCI-KBXCAEBGSA-N 2 1 356.474 2.238 20 30 FEEDMP CN(C)c1[nH+]cc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1C ZINC000329373984 553934390 /nfs/dbraw/zinc/93/43/90/553934390.db2.gz KWPWSTVFQLGLMQ-AWEZNQCLSA-N 2 1 351.520 2.160 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000329959221 554039188 /nfs/dbraw/zinc/03/91/88/554039188.db2.gz QMKDHWJGLHBBRT-ROUUACIJSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000329959221 554039189 /nfs/dbraw/zinc/03/91/89/554039189.db2.gz QMKDHWJGLHBBRT-ROUUACIJSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000329959221 554039190 /nfs/dbraw/zinc/03/91/90/554039190.db2.gz QMKDHWJGLHBBRT-ROUUACIJSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000329959221 554039191 /nfs/dbraw/zinc/03/91/91/554039191.db2.gz QMKDHWJGLHBBRT-ROUUACIJSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(CC#CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367218668 556003433 /nfs/dbraw/zinc/00/34/33/556003433.db2.gz SSMYRTYKHXJKCL-JEYFUZRVSA-N 2 1 358.574 2.104 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695705 556942711 /nfs/dbraw/zinc/94/27/11/556942711.db2.gz CKRJLLVLAFXEOZ-SIKLNZKXSA-N 2 1 369.557 2.494 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519235131 562127847 /nfs/dbraw/zinc/12/78/47/562127847.db2.gz YLIQVPNHVPVVII-RLLQIKCJSA-N 2 1 366.509 2.391 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000519286620 562128646 /nfs/dbraw/zinc/12/86/46/562128646.db2.gz FWNXDZIOTAFAIM-UHFFFAOYSA-N 2 1 356.514 2.384 20 30 FEEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1 ZINC000374284495 557858068 /nfs/dbraw/zinc/85/80/68/557858068.db2.gz AAZMRCIFUQLBLB-LJQANCHMSA-N 2 1 366.509 2.371 20 30 FEEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469850055 560966727 /nfs/dbraw/zinc/96/67/27/560966727.db2.gz GMQNBVVQIODGPG-QUCCMNQESA-N 2 1 357.498 2.332 20 30 FEEDMP C[NH+]=C(NCc1nc(C)no1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262355284 672913848 /nfs/dbraw/zinc/91/38/48/672913848.db2.gz HXTZPHMHYVRHDF-BBRMVZONSA-N 2 1 362.503 2.188 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000262448912 672915935 /nfs/dbraw/zinc/91/59/35/672915935.db2.gz ULJBVTCGDYEIFC-XYJFISCASA-N 3 1 363.575 2.248 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262448912 672915938 /nfs/dbraw/zinc/91/59/38/672915938.db2.gz ULJBVTCGDYEIFC-XYJFISCASA-N 3 1 363.575 2.248 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262448912 672915944 /nfs/dbraw/zinc/91/59/44/672915944.db2.gz ULJBVTCGDYEIFC-XYJFISCASA-N 3 1 363.575 2.248 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NCC1(O)CCC1 ZINC000262816392 672921173 /nfs/dbraw/zinc/92/11/73/672921173.db2.gz WUJRBDJXUVUCOR-GOEBONIOSA-N 2 1 350.532 2.211 20 30 FEEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1 ZINC000303892061 673018540 /nfs/dbraw/zinc/01/85/40/673018540.db2.gz NJQXMVHIBNWWTM-UHFFFAOYSA-N 2 1 367.925 2.493 20 30 FEEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000303984497 673019778 /nfs/dbraw/zinc/01/97/78/673019778.db2.gz SARPTMJRDPNIKF-UHFFFAOYSA-N 2 1 352.910 2.244 20 30 FEEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004472077 680556995 /nfs/dbraw/zinc/55/69/95/680556995.db2.gz ZGTOLYBICCSTIS-BPQIPLTHSA-N 2 1 369.937 2.161 20 30 FEEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004472077 680556996 /nfs/dbraw/zinc/55/69/96/680556996.db2.gz ZGTOLYBICCSTIS-BPQIPLTHSA-N 2 1 369.937 2.161 20 30 FEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004472077 680556998 /nfs/dbraw/zinc/55/69/98/680556998.db2.gz ZGTOLYBICCSTIS-BPQIPLTHSA-N 2 1 369.937 2.161 20 30 FEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004472077 680557000 /nfs/dbraw/zinc/55/70/00/680557000.db2.gz ZGTOLYBICCSTIS-BPQIPLTHSA-N 2 1 369.937 2.161 20 30 FEEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCC#N ZINC000918699479 685541125 /nfs/dbraw/zinc/54/11/25/685541125.db2.gz JGDTWPLGGPEGPY-UHFFFAOYSA-N 2 1 360.527 2.400 20 30 FEEDMP C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1Cl ZINC000884179170 687809870 /nfs/dbraw/zinc/80/98/70/687809870.db2.gz HCLJFTZKYMRQNU-VSOMRHIXSA-N 2 1 360.889 2.198 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074448028 542085466 /nfs/dbraw/zinc/08/54/66/542085466.db2.gz IHAPKZUWNCYXKC-NRFANRHFSA-N 2 1 353.510 2.455 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074448024 542085711 /nfs/dbraw/zinc/08/57/11/542085711.db2.gz IHAPKZUWNCYXKC-OAQYLSRUSA-N 2 1 353.510 2.455 20 30 FEEDMP C[NH+](CCNc1cc(NCC[N@H+](C)C2CC2)cc(C#N)c1[N+](=O)[O-])C1CC1 ZINC000091459845 542808547 /nfs/dbraw/zinc/80/85/47/542808547.db2.gz ZZTGVCONYZTGLM-UHFFFAOYSA-N 2 1 372.473 2.479 20 30 FEEDMP C[NH+](CCNc1cc(C#N)c([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)c1)C1CC1 ZINC000091459845 542808550 /nfs/dbraw/zinc/80/85/50/542808550.db2.gz ZZTGVCONYZTGLM-UHFFFAOYSA-N 2 1 372.473 2.479 20 30 FEEDMP C[NH+](CCNc1cc(C#N)c([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000091459845 542808552 /nfs/dbraw/zinc/80/85/52/542808552.db2.gz ZZTGVCONYZTGLM-UHFFFAOYSA-N 2 1 372.473 2.479 20 30 FEEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153941502 544843221 /nfs/dbraw/zinc/84/32/21/544843221.db2.gz UFNSOOSUZJGPDT-ZCNNSNEGSA-N 2 1 364.578 2.290 20 30 FEEDMP C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000079269596 325084249 /nfs/dbraw/zinc/08/42/49/325084249.db2.gz WOGLDLOMKIENKU-SFHVURJKSA-N 2 1 371.529 2.363 20 30 FEEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)n2c1 ZINC000136598767 326653582 /nfs/dbraw/zinc/65/35/82/326653582.db2.gz RIHMODCAWMDXAM-RBUKOAKNSA-N 2 1 353.470 2.063 20 30 FEEDMP Cc1ccc(N2CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC2)[nH+]c1 ZINC000171468898 546210771 /nfs/dbraw/zinc/21/07/71/546210771.db2.gz KFQRYOJYJYRFSM-UHFFFAOYSA-N 2 1 357.502 2.300 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000173510751 546282864 /nfs/dbraw/zinc/28/28/64/546282864.db2.gz QHVMFCVQGHWGGU-IBGZPJMESA-N 2 1 353.510 2.455 20 30 FEEDMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000483214555 561270748 /nfs/dbraw/zinc/27/07/48/561270748.db2.gz YDNAMEUPARECJG-UHFFFAOYSA-N 2 1 365.437 2.113 20 30 FEEDMP C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@@H+](C)C1 ZINC000261950786 549773453 /nfs/dbraw/zinc/77/34/53/549773453.db2.gz NYNCDFHPBUXHTD-ABAIWWIYSA-N 2 1 359.301 2.144 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000276242079 550577576 /nfs/dbraw/zinc/57/75/76/550577576.db2.gz OPYNXHFSKHAKFG-CEXWTWQISA-N 2 1 351.535 2.302 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000276242079 550577577 /nfs/dbraw/zinc/57/75/77/550577577.db2.gz OPYNXHFSKHAKFG-CEXWTWQISA-N 2 1 351.535 2.302 20 30 FEEDMP CN1CCO[C@H](C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858654 554020445 /nfs/dbraw/zinc/02/04/45/554020445.db2.gz OEIISPCUCMAKIG-WBVHZDCISA-N 2 1 360.458 2.352 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000329959222 554039176 /nfs/dbraw/zinc/03/91/76/554039176.db2.gz QMKDHWJGLHBBRT-ZWKOTPCHSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000329959222 554039177 /nfs/dbraw/zinc/03/91/77/554039177.db2.gz QMKDHWJGLHBBRT-ZWKOTPCHSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000329959222 554039178 /nfs/dbraw/zinc/03/91/78/554039178.db2.gz QMKDHWJGLHBBRT-ZWKOTPCHSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000329959222 554039179 /nfs/dbraw/zinc/03/91/79/554039179.db2.gz QMKDHWJGLHBBRT-ZWKOTPCHSA-N 2 1 358.486 2.421 20 30 FEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329985921 554044479 /nfs/dbraw/zinc/04/44/79/554044479.db2.gz RKQYHBCCAHEMHL-IBGZPJMESA-N 2 1 372.513 2.466 20 30 FEEDMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329985921 554044480 /nfs/dbraw/zinc/04/44/80/554044480.db2.gz RKQYHBCCAHEMHL-IBGZPJMESA-N 2 1 372.513 2.466 20 30 FEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329992966 554045742 /nfs/dbraw/zinc/04/57/42/554045742.db2.gz YBAOEFLFHAPODG-IAGOWNOFSA-N 2 1 372.513 2.464 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205439 557107001 /nfs/dbraw/zinc/10/70/01/557107001.db2.gz RVNHAJILOCGSDT-WOJBJXKFSA-N 2 1 357.498 2.496 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205439 557107005 /nfs/dbraw/zinc/10/70/05/557107005.db2.gz RVNHAJILOCGSDT-WOJBJXKFSA-N 2 1 357.498 2.496 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299071 557136280 /nfs/dbraw/zinc/13/62/80/557136280.db2.gz CKGFFJXJLUFBBT-OWCLPIDISA-N 2 1 362.499 2.132 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299071 557136283 /nfs/dbraw/zinc/13/62/83/557136283.db2.gz CKGFFJXJLUFBBT-OWCLPIDISA-N 2 1 362.499 2.132 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000518496329 562112849 /nfs/dbraw/zinc/11/28/49/562112849.db2.gz VGYMGUUADKXJSX-IBGZPJMESA-N 2 1 356.514 2.450 20 30 FEEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372717944 557545959 /nfs/dbraw/zinc/54/59/59/557545959.db2.gz PQOTUYKFUDSDIT-UHFFFAOYSA-N 2 1 357.502 2.195 20 30 FEEDMP C=CCN(CC=C)C(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372717944 557545960 /nfs/dbraw/zinc/54/59/60/557545960.db2.gz PQOTUYKFUDSDIT-UHFFFAOYSA-N 2 1 357.502 2.195 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374417493 557881185 /nfs/dbraw/zinc/88/11/85/557881185.db2.gz AVLAVWBTOHKZKS-YQVWRLOYSA-N 2 1 359.470 2.129 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374417493 557881187 /nfs/dbraw/zinc/88/11/87/557881187.db2.gz AVLAVWBTOHKZKS-YQVWRLOYSA-N 2 1 359.470 2.129 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377717127 558404283 /nfs/dbraw/zinc/40/42/83/558404283.db2.gz DLAOYMCBJBCOMD-RLLQIKCJSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377717127 558404285 /nfs/dbraw/zinc/40/42/85/558404285.db2.gz DLAOYMCBJBCOMD-RLLQIKCJSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377717127 558404286 /nfs/dbraw/zinc/40/42/86/558404286.db2.gz DLAOYMCBJBCOMD-RLLQIKCJSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377717127 558404287 /nfs/dbraw/zinc/40/42/87/558404287.db2.gz DLAOYMCBJBCOMD-RLLQIKCJSA-N 2 1 354.498 2.201 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000418776585 559415443 /nfs/dbraw/zinc/41/54/43/559415443.db2.gz UFOLQLGFQZCMSV-FQEVSTJZSA-N 2 1 369.513 2.308 20 30 FEEDMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424141704 559655915 /nfs/dbraw/zinc/65/59/15/559655915.db2.gz HNHRHZXCNQFQRW-MRXNPFEDSA-N 2 1 363.531 2.055 20 30 FEEDMP C(#CC[N@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429028238 559789294 /nfs/dbraw/zinc/78/92/94/559789294.db2.gz MAUFHYXMWGEYMN-SZPZYZBQSA-N 2 1 360.542 2.487 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305499 /nfs/dbraw/zinc/30/54/99/560305499.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305500 /nfs/dbraw/zinc/30/55/00/560305500.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451414497 560305501 /nfs/dbraw/zinc/30/55/01/560305501.db2.gz DDBXFMYWJUSBKQ-WHVWYTALSA-N 2 1 360.542 2.241 20 30 FEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424277 562328609 /nfs/dbraw/zinc/32/86/09/562328609.db2.gz LMOZKXPQZOUHCH-SXLOBPIMSA-N 2 1 355.482 2.247 20 30 FEEDMP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847300 568000520 /nfs/dbraw/zinc/00/05/20/568000520.db2.gz VZOUHDNNHJHCDL-HXUWFJFHSA-N 2 1 366.465 2.100 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131183 670655525 /nfs/dbraw/zinc/65/55/25/670655525.db2.gz OHCOOCWRUKJXEH-SNVBAGLBSA-N 2 1 357.321 2.412 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)s1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131183 670655529 /nfs/dbraw/zinc/65/55/29/670655529.db2.gz OHCOOCWRUKJXEH-SNVBAGLBSA-N 2 1 357.321 2.412 20 30 FEEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262456651 672916393 /nfs/dbraw/zinc/91/63/93/672916393.db2.gz HVZSTACPBAFTJB-LBPRGKRZSA-N 2 1 353.348 2.201 20 30 FEEDMP CC[NH+]=C(NCC1(SC)CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262780005 672921011 /nfs/dbraw/zinc/92/10/11/672921011.db2.gz KVGJMHYKKAUZSE-ALOPSCKCSA-N 2 1 368.591 2.469 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000838622638 680706518 /nfs/dbraw/zinc/70/65/18/680706518.db2.gz WWSMHRZLIWKDEU-QGZVFWFLSA-N 2 1 350.894 2.197 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001007368948 680637664 /nfs/dbraw/zinc/63/76/64/680637664.db2.gz MSZPGBMDWSCZAT-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001007368948 680637665 /nfs/dbraw/zinc/63/76/65/680637665.db2.gz MSZPGBMDWSCZAT-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001007368948 680637666 /nfs/dbraw/zinc/63/76/66/680637666.db2.gz MSZPGBMDWSCZAT-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007368948 680637668 /nfs/dbraw/zinc/63/76/68/680637668.db2.gz MSZPGBMDWSCZAT-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007368948 680637669 /nfs/dbraw/zinc/63/76/69/680637669.db2.gz MSZPGBMDWSCZAT-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP Cc1csc(CCNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912499612 685386646 /nfs/dbraw/zinc/38/66/46/685386646.db2.gz VMORLCXYPSPBFZ-UHFFFAOYSA-N 2 1 367.563 2.050 20 30 FEEDMP C=C(C)CONC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000845601882 681140579 /nfs/dbraw/zinc/14/05/79/681140579.db2.gz WBHMPUJNBJHOAR-UHFFFAOYSA-N 2 1 352.523 2.332 20 30 FEEDMP C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000776186872 681370846 /nfs/dbraw/zinc/37/08/46/681370846.db2.gz WWTLPUUAHKFWFY-MRXNPFEDSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000776186872 681370853 /nfs/dbraw/zinc/37/08/53/681370853.db2.gz WWTLPUUAHKFWFY-MRXNPFEDSA-N 2 1 361.559 2.300 20 30 FEEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@]1(C)CCCCO1 ZINC000902792790 690807772 /nfs/dbraw/zinc/80/77/72/690807772.db2.gz DIWCARWLFJGNGB-BJLQDIEVSA-N 2 1 351.535 2.457 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076389802 542272166 /nfs/dbraw/zinc/27/21/66/542272166.db2.gz JEKFFQYYXLCNQA-IBGZPJMESA-N 2 1 353.510 2.455 20 30 FEEDMP CCC[NH+]1CCC(N2CC[NH+](CCOc3ccccc3C#N)CC2)CC1 ZINC000112358259 543443548 /nfs/dbraw/zinc/44/35/48/543443548.db2.gz XMZDSFLFHHXKCX-UHFFFAOYSA-N 2 1 356.514 2.429 20 30 FEEDMP N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120298271 543678363 /nfs/dbraw/zinc/67/83/63/543678363.db2.gz PRMCIARGNFCJMY-SFHVURJKSA-N 2 1 359.518 2.134 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000125836105 543904559 /nfs/dbraw/zinc/90/45/59/543904559.db2.gz BIVMHTBGICKVPL-UHFFFAOYSA-N 2 1 366.550 2.027 20 30 FEEDMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000129864451 544129895 /nfs/dbraw/zinc/12/98/95/544129895.db2.gz UIDFPNKIGVIRDB-LPHOPBHVSA-N 2 1 369.513 2.257 20 30 FEEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)n2c1 ZINC000136598690 326653550 /nfs/dbraw/zinc/65/35/50/326653550.db2.gz RIHMODCAWMDXAM-OALUTQOASA-N 2 1 353.470 2.063 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000171715828 546220730 /nfs/dbraw/zinc/22/07/30/546220730.db2.gz OCPFNCNCEXXBMI-HNNXBMFYSA-N 2 1 362.543 2.444 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000171715828 546220734 /nfs/dbraw/zinc/22/07/34/546220734.db2.gz OCPFNCNCEXXBMI-HNNXBMFYSA-N 2 1 362.543 2.444 20 30 FEEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccs2)CC1 ZINC000262003439 549778822 /nfs/dbraw/zinc/77/88/22/549778822.db2.gz UYIFXZIASCKPQC-MRXNPFEDSA-N 2 1 361.559 2.320 20 30 FEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270535837 550281381 /nfs/dbraw/zinc/28/13/81/550281381.db2.gz AIZXXADZBLAEEY-RBOXIYTFSA-N 2 1 356.873 2.411 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048483 551173605 /nfs/dbraw/zinc/17/36/05/551173605.db2.gz LWOKYWQXINSTFN-JXFKEZNVSA-N 2 1 357.502 2.453 20 30 FEEDMP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000328739348 553814990 /nfs/dbraw/zinc/81/49/90/553814990.db2.gz HVWLOBUDIDVNDD-RBSFLKMASA-N 2 1 366.506 2.229 20 30 FEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4ccnc4)c3)[C@H]2C1 ZINC000329303442 553921256 /nfs/dbraw/zinc/92/12/56/553921256.db2.gz XHLYROKZVJXDGM-MOPGFXCFSA-N 2 1 353.470 2.371 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[NH+](C)[C@@H](C)C3)n2)CC[N@H+]1C ZINC000333047621 554564362 /nfs/dbraw/zinc/56/43/62/554564362.db2.gz KSALMUADTRWUDU-CYGHRXIMSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000333047621 554564365 /nfs/dbraw/zinc/56/43/65/554564365.db2.gz KSALMUADTRWUDU-CYGHRXIMSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000333047621 554564368 /nfs/dbraw/zinc/56/43/68/554564368.db2.gz KSALMUADTRWUDU-CYGHRXIMSA-N 2 1 356.518 2.742 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368243853 556257474 /nfs/dbraw/zinc/25/74/74/556257474.db2.gz QTLXUAXIPXZROV-VWPQPMDRSA-N 2 1 368.525 2.495 20 30 FEEDMP C=CCCO[C@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371094163 557073475 /nfs/dbraw/zinc/07/34/75/557073475.db2.gz OEQPZDADSYLRDV-QGZVFWFLSA-N 2 1 351.535 2.280 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000371288877 557132902 /nfs/dbraw/zinc/13/29/02/557132902.db2.gz GAZCETFJHJGKTE-QYZOEREBSA-N 2 1 356.470 2.070 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=N)N([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000371439152 557187485 /nfs/dbraw/zinc/18/74/85/557187485.db2.gz SJBMKFACVKIOPE-CABCVRRESA-N 2 1 365.481 2.273 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000374431859 557883353 /nfs/dbraw/zinc/88/33/53/557883353.db2.gz ZASBXFDSJYZPDE-QRQLOZEOSA-N 2 1 356.470 2.070 20 30 FEEDMP CN(CCC#N)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378353363 558536908 /nfs/dbraw/zinc/53/69/08/558536908.db2.gz XJKICZVEDWCTQA-OAQYLSRUSA-N 2 1 355.530 2.248 20 30 FEEDMP CN(CCC#N)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000378353363 558536909 /nfs/dbraw/zinc/53/69/09/558536909.db2.gz XJKICZVEDWCTQA-OAQYLSRUSA-N 2 1 355.530 2.248 20 30 FEEDMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424141703 559655890 /nfs/dbraw/zinc/65/58/90/559655890.db2.gz HNHRHZXCNQFQRW-INIZCTEOSA-N 2 1 363.531 2.055 20 30 FEEDMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]2C2CC2)c1 ZINC000424177941 559656824 /nfs/dbraw/zinc/65/68/24/559656824.db2.gz VNHYXVXBFZTGNS-GUDVDZBRSA-N 2 1 356.470 2.110 20 30 FEEDMP N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000442717990 560055160 /nfs/dbraw/zinc/05/51/60/560055160.db2.gz PMPRJTGVCITJKM-FUHWJXTLSA-N 2 1 356.470 2.129 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497085 560232014 /nfs/dbraw/zinc/23/20/14/560232014.db2.gz KDMUZBQZBLIHBY-IBGZPJMESA-N 2 1 372.488 2.464 20 30 FEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424268 562328491 /nfs/dbraw/zinc/32/84/91/562328491.db2.gz LMOZKXPQZOUHCH-DFQSSKMNSA-N 2 1 355.482 2.247 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccccc1Br ZINC000073742396 670506488 /nfs/dbraw/zinc/50/64/88/670506488.db2.gz VHYPJZYYEVKQNV-ZDUSSCGKSA-N 2 1 353.308 2.408 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1Br ZINC000262002066 672907531 /nfs/dbraw/zinc/90/75/31/672907531.db2.gz QAUZZRYTEPNASY-ZDUSSCGKSA-N 2 1 357.271 2.477 20 30 FEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262788364 672920933 /nfs/dbraw/zinc/92/09/33/672920933.db2.gz NKEKDMAJVZCEPI-WFXMFSGNSA-N 2 1 368.591 2.182 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)Nc1cccc(Cl)c1C ZINC000303987296 673019838 /nfs/dbraw/zinc/01/98/38/673019838.db2.gz VHFSLPOJCZKBNM-CQSZACIVSA-N 2 1 365.909 2.366 20 30 FEEDMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595629868 673275870 /nfs/dbraw/zinc/27/58/70/673275870.db2.gz OIQFVZRKZOHXSO-UHFFFAOYSA-N 2 1 361.559 2.158 20 30 FEEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995828431 680305339 /nfs/dbraw/zinc/30/53/39/680305339.db2.gz XZCGOLRXEJSXJP-MGPQQGTHSA-N 2 1 358.324 2.062 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028550625 680374170 /nfs/dbraw/zinc/37/41/70/680374170.db2.gz FFYCKPGUVRBDLL-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028550625 680374173 /nfs/dbraw/zinc/37/41/73/680374173.db2.gz FFYCKPGUVRBDLL-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028550625 680374176 /nfs/dbraw/zinc/37/41/76/680374176.db2.gz FFYCKPGUVRBDLL-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028550625 680374182 /nfs/dbraw/zinc/37/41/82/680374182.db2.gz FFYCKPGUVRBDLL-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000969691826 682272915 /nfs/dbraw/zinc/27/29/15/682272915.db2.gz XXRDUHDLMUDGBU-DOPJRALCSA-N 2 1 360.527 2.287 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000969691826 682272917 /nfs/dbraw/zinc/27/29/17/682272917.db2.gz XXRDUHDLMUDGBU-DOPJRALCSA-N 2 1 360.527 2.287 20 30 FEEDMP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000104161277 543125408 /nfs/dbraw/zinc/12/54/08/543125408.db2.gz FRIZGUOKZVOAGP-UHFFFAOYSA-N 2 1 367.501 2.032 20 30 FEEDMP CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247494696 549344214 /nfs/dbraw/zinc/34/42/14/549344214.db2.gz LFDHVNZCPWZYJG-TZIWHRDSSA-N 2 1 356.514 2.495 20 30 FEEDMP C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261937879 549771827 /nfs/dbraw/zinc/77/18/27/549771827.db2.gz CXTMPBOQQRLEOP-KBXCAEBGSA-N 2 1 352.486 2.224 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000263830771 549942767 /nfs/dbraw/zinc/94/27/67/549942767.db2.gz UHXFNSVZMDEHBQ-UHFFFAOYSA-N 2 1 367.537 2.499 20 30 FEEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000279658440 550913599 /nfs/dbraw/zinc/91/35/99/550913599.db2.gz CUBROXKWYYWWKG-HXUWFJFHSA-N 2 1 352.482 2.219 20 30 FEEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cc1 ZINC000279658440 550913600 /nfs/dbraw/zinc/91/36/00/550913600.db2.gz CUBROXKWYYWWKG-HXUWFJFHSA-N 2 1 352.482 2.219 20 30 FEEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)cc1 ZINC000279658440 550913601 /nfs/dbraw/zinc/91/36/01/550913601.db2.gz CUBROXKWYYWWKG-HXUWFJFHSA-N 2 1 352.482 2.219 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)cc1 ZINC000279658440 550913602 /nfs/dbraw/zinc/91/36/02/550913602.db2.gz CUBROXKWYYWWKG-HXUWFJFHSA-N 2 1 352.482 2.219 20 30 FEEDMP C=CCOc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000288478897 552160193 /nfs/dbraw/zinc/16/01/93/552160193.db2.gz PXKRPFUHSZCIML-UHFFFAOYSA-N 2 1 374.529 2.419 20 30 FEEDMP C=CCOc1ccc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000288478897 552160194 /nfs/dbraw/zinc/16/01/94/552160194.db2.gz PXKRPFUHSZCIML-UHFFFAOYSA-N 2 1 374.529 2.419 20 30 FEEDMP CN(CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CC[NH+](C)C ZINC000289163449 552276151 /nfs/dbraw/zinc/27/61/51/552276151.db2.gz DUFRZTZLUBAGOS-UHFFFAOYSA-N 2 1 368.529 2.274 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626591 553756531 /nfs/dbraw/zinc/75/65/31/553756531.db2.gz IDVSWESSAIDIGI-RTWAWAEBSA-N 2 1 365.477 2.410 20 30 FEEDMP COCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000331550185 554284095 /nfs/dbraw/zinc/28/40/95/554284095.db2.gz MXZAIJCQNNKQCU-SFHVURJKSA-N 2 1 360.477 2.367 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000368050182 556204839 /nfs/dbraw/zinc/20/48/39/556204839.db2.gz DEHNLCVKKYLXGG-QUCCMNQESA-N 2 1 356.514 2.437 20 30 FEEDMP N#Cc1cccc(CNC(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000369312406 556571799 /nfs/dbraw/zinc/57/17/99/556571799.db2.gz OJYJHCHBWPIQIM-SZPZYZBQSA-N 2 1 374.488 2.238 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000370197007 556808226 /nfs/dbraw/zinc/80/82/26/556808226.db2.gz HOMTUZOSTPOFSS-NRFANRHFSA-N 2 1 353.510 2.155 20 30 FEEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])cc1OCC ZINC000415051197 559202499 /nfs/dbraw/zinc/20/24/99/559202499.db2.gz GSVGXRKSKQEHJP-CYBMUJFWSA-N 2 1 373.291 2.164 20 30 FEEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1OCC ZINC000415051197 559202500 /nfs/dbraw/zinc/20/25/00/559202500.db2.gz GSVGXRKSKQEHJP-CYBMUJFWSA-N 2 1 373.291 2.164 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000418408338 559400574 /nfs/dbraw/zinc/40/05/74/559400574.db2.gz GIWPLWQTGKRPNX-WOJBJXKFSA-N 2 1 369.513 2.293 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000418776586 559415420 /nfs/dbraw/zinc/41/54/20/559415420.db2.gz UFOLQLGFQZCMSV-HXUWFJFHSA-N 2 1 369.513 2.308 20 30 FEEDMP N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000442717994 560055169 /nfs/dbraw/zinc/05/51/69/560055169.db2.gz PMPRJTGVCITJKM-WMZOPIPTSA-N 2 1 356.470 2.129 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917237 560899140 /nfs/dbraw/zinc/89/91/40/560899140.db2.gz APZXKZLHPIASCY-PXNSSMCTSA-N 2 1 364.534 2.006 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265764 561022383 /nfs/dbraw/zinc/02/23/83/561022383.db2.gz YYRCVCVDAZOFSA-VQIMIIECSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265764 561022384 /nfs/dbraw/zinc/02/23/84/561022384.db2.gz YYRCVCVDAZOFSA-VQIMIIECSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000472267011 561022416 /nfs/dbraw/zinc/02/24/16/561022416.db2.gz AMPDTCHDNHIEQT-GOSISDBHSA-N 2 1 358.486 2.320 20 30 FEEDMP C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1ccnc1 ZINC000528426405 562328778 /nfs/dbraw/zinc/32/87/78/562328778.db2.gz SZDYIQITPPDXQT-APWZRJJASA-N 2 1 362.433 2.066 20 30 FEEDMP C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1ccnc1 ZINC000528426405 562328779 /nfs/dbraw/zinc/32/87/79/562328779.db2.gz SZDYIQITPPDXQT-APWZRJJASA-N 2 1 362.433 2.066 20 30 FEEDMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])N3CCSCC3)CCCCC2)CCO1 ZINC000262540958 672917503 /nfs/dbraw/zinc/91/75/03/672917503.db2.gz RUISAKQVRMQTIL-UHFFFAOYSA-N 2 1 354.564 2.164 20 30 FEEDMP CC1(C)C[N@H+](C2(CNC(=[NH2+])N3CCSCC3)CCCCC2)CCO1 ZINC000262540958 672917504 /nfs/dbraw/zinc/91/75/04/672917504.db2.gz RUISAKQVRMQTIL-UHFFFAOYSA-N 2 1 354.564 2.164 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cc1 ZINC000303868049 673018023 /nfs/dbraw/zinc/01/80/23/673018023.db2.gz DHGSTHWTEMHAJX-CQSZACIVSA-N 2 1 358.408 2.473 20 30 FEEDMP CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000328702121 673065214 /nfs/dbraw/zinc/06/52/14/673065214.db2.gz JNFFMFATJPKBME-YESZJQIVSA-N 2 1 354.539 2.110 20 30 FEEDMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000328702121 673065221 /nfs/dbraw/zinc/06/52/21/673065221.db2.gz JNFFMFATJPKBME-YESZJQIVSA-N 2 1 354.539 2.110 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000838621808 680706509 /nfs/dbraw/zinc/70/65/09/680706509.db2.gz DAPCCMQSGUQCAH-SFHVURJKSA-N 2 1 362.543 2.266 20 30 FEEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000996602738 680336429 /nfs/dbraw/zinc/33/64/29/680336429.db2.gz GEXHPANIGXQLDX-LSDHHAIUSA-N 2 1 358.324 2.206 20 30 FEEDMP Cc1ncsc1CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912506397 685388569 /nfs/dbraw/zinc/38/85/69/685388569.db2.gz NOHANMXVVHIABF-UHFFFAOYSA-N 2 1 353.536 2.008 20 30 FEEDMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000097176704 543006852 /nfs/dbraw/zinc/00/68/52/543006852.db2.gz RQSKPXDTGSZHMG-FQEVSTJZSA-N 2 1 371.529 2.363 20 30 FEEDMP C=CCN(CCOC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000191076599 548340683 /nfs/dbraw/zinc/34/06/83/548340683.db2.gz WARJHSVSWPLYPC-UHFFFAOYSA-N 2 1 359.514 2.164 20 30 FEEDMP C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261937892 549772221 /nfs/dbraw/zinc/77/22/21/549772221.db2.gz CXTMPBOQQRLEOP-RDTXWAMCSA-N 2 1 352.486 2.224 20 30 FEEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262010022 549779425 /nfs/dbraw/zinc/77/94/25/549779425.db2.gz WJQYZYLBFQEYPU-KDOFPFPSSA-N 2 1 353.470 2.489 20 30 FEEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000267450411 550031873 /nfs/dbraw/zinc/03/18/73/550031873.db2.gz RFLFXFCESJIBLR-LBPRGKRZSA-N 2 1 360.380 2.280 20 30 FEEDMP Cn1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000273040582 550481782 /nfs/dbraw/zinc/48/17/82/550481782.db2.gz WPTRYLLWPXBKDV-UHFFFAOYSA-N 2 1 366.513 2.028 20 30 FEEDMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314702 550494162 /nfs/dbraw/zinc/49/41/62/550494162.db2.gz VGUOPGHVZMPHJC-APWZRJJASA-N 2 1 354.498 2.417 20 30 FEEDMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273314702 550494163 /nfs/dbraw/zinc/49/41/63/550494163.db2.gz VGUOPGHVZMPHJC-APWZRJJASA-N 2 1 354.498 2.417 20 30 FEEDMP Cn1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000282367890 551218446 /nfs/dbraw/zinc/21/84/46/551218446.db2.gz NTDQNXVVHMNMPV-UHFFFAOYSA-N 2 1 366.513 2.074 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000288360213 552140156 /nfs/dbraw/zinc/14/01/56/552140156.db2.gz KOTJJSQSNQVGCP-QHCPKHFHSA-N 2 1 365.521 2.456 20 30 FEEDMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000288727312 552201622 /nfs/dbraw/zinc/20/16/22/552201622.db2.gz MXOUWKMVJYJNOZ-UHFFFAOYSA-N 2 1 361.412 2.195 20 30 FEEDMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000288727312 552201623 /nfs/dbraw/zinc/20/16/23/552201623.db2.gz MXOUWKMVJYJNOZ-UHFFFAOYSA-N 2 1 361.412 2.195 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1nccn1CCCc1ccccc1 ZINC000296286136 553135084 /nfs/dbraw/zinc/13/50/84/553135084.db2.gz BXRPWWMVMGIBRB-UHFFFAOYSA-N 2 1 367.497 2.270 20 30 FEEDMP C[NH+]1CCC[C@H](CNc2nc(NC[C@H]3CCC[N@H+](C)C3)ccc2C#N)C1 ZINC000302892231 553740875 /nfs/dbraw/zinc/74/08/75/553740875.db2.gz PZJDSSPYWHCBAI-IAGOWNOFSA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@H](CNc2ccc(C#N)c(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000302892231 553740877 /nfs/dbraw/zinc/74/08/77/553740877.db2.gz PZJDSSPYWHCBAI-IAGOWNOFSA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@H](CNc2ccc(C#N)c(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000302892231 553740880 /nfs/dbraw/zinc/74/08/80/553740880.db2.gz PZJDSSPYWHCBAI-IAGOWNOFSA-N 2 1 356.518 2.461 20 30 FEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCSC2)CCC[NH+]1C ZINC000329159326 553891498 /nfs/dbraw/zinc/89/14/98/553891498.db2.gz DFYMGWLZHZFWTE-RLFYNMQTSA-N 2 1 365.547 2.197 20 30 FEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+](C)[C@H]2CCSC2)CCC[N@@H+]1C ZINC000329159326 553891500 /nfs/dbraw/zinc/89/15/00/553891500.db2.gz DFYMGWLZHZFWTE-RLFYNMQTSA-N 2 1 365.547 2.197 20 30 FEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+](C)[C@H]2CCSC2)CCC[N@H+]1C ZINC000329159326 553891502 /nfs/dbraw/zinc/89/15/02/553891502.db2.gz DFYMGWLZHZFWTE-RLFYNMQTSA-N 2 1 365.547 2.197 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(C)(C)C#N ZINC000512903202 561919391 /nfs/dbraw/zinc/91/93/91/561919391.db2.gz WUNIAWDOLWWSLT-UHFFFAOYSA-N 2 1 363.550 2.374 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000365746079 555658064 /nfs/dbraw/zinc/65/80/64/555658064.db2.gz HVMLIRBOLWADCY-VXKWHMMOSA-N 2 1 365.521 2.312 20 30 FEEDMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777958 562118168 /nfs/dbraw/zinc/11/81/68/562118168.db2.gz DLTOPPZWLXGDIS-MRXNPFEDSA-N 2 1 360.527 2.373 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519235129 562127854 /nfs/dbraw/zinc/12/78/54/562127854.db2.gz YLIQVPNHVPVVII-HOJAQTOUSA-N 2 1 366.509 2.391 20 30 FEEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834608 557938225 /nfs/dbraw/zinc/93/82/25/557938225.db2.gz AYVXNIWKBZVQDD-KRWDZBQOSA-N 2 1 357.502 2.238 20 30 FEEDMP C#CCC(CC#C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376904367 558237066 /nfs/dbraw/zinc/23/70/66/558237066.db2.gz QCMBMPAHMLTYOX-UHFFFAOYSA-N 2 1 357.542 2.304 20 30 FEEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469867384 560967348 /nfs/dbraw/zinc/96/73/48/560967348.db2.gz VQCYFDUDDPJNDL-HKUYNNGSSA-N 2 1 357.498 2.332 20 30 FEEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144210 675911801 /nfs/dbraw/zinc/91/18/01/675911801.db2.gz BMJGPRULJNAGQP-MCIONIFRSA-N 2 1 358.511 2.224 20 30 FEEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144210 675911802 /nfs/dbraw/zinc/91/18/02/675911802.db2.gz BMJGPRULJNAGQP-MCIONIFRSA-N 2 1 358.511 2.224 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262768851 672920546 /nfs/dbraw/zinc/92/05/46/672920546.db2.gz JPRHZMAZILQIBR-GFCCVEGCSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)c(F)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262768851 672920547 /nfs/dbraw/zinc/92/05/47/672920547.db2.gz JPRHZMAZILQIBR-GFCCVEGCSA-N 2 1 369.282 2.490 20 30 FEEDMP CCNC(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)=[NH+]CC ZINC000303368274 673017182 /nfs/dbraw/zinc/01/71/82/673017182.db2.gz IQPQMTOVQLDSSP-UHFFFAOYSA-N 2 1 351.926 2.427 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)c1 ZINC000303878063 673018148 /nfs/dbraw/zinc/01/81/48/673018148.db2.gz IYKNBJZJCTTZKH-AWEZNQCLSA-N 2 1 358.408 2.473 20 30 FEEDMP C[C@H](CNC(NCc1cccs1)=[NH+]C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000912506106 685388837 /nfs/dbraw/zinc/38/88/37/685388837.db2.gz JGVYWQYAANZWLW-MRXNPFEDSA-N 2 1 365.591 2.465 20 30 FEEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000852856750 682350694 /nfs/dbraw/zinc/35/06/94/682350694.db2.gz DNFDBNJBKLNNMK-UHFFFAOYSA-N 2 1 359.901 2.377 20 30 FEEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000852856750 682350699 /nfs/dbraw/zinc/35/06/99/682350699.db2.gz DNFDBNJBKLNNMK-UHFFFAOYSA-N 2 1 359.901 2.377 20 30 FEEDMP CC(C)[N@H+](C)Cc1nn(-c2nc3c(cc2C#N)CCC3)c2c1CC[NH2+]C2 ZINC001164679790 719638167 /nfs/dbraw/zinc/63/81/67/719638167.db2.gz NCFMJRIXCHMPQO-UHFFFAOYSA-N 2 1 350.470 2.114 20 30 FEEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc3c(cc2C#N)CCC3)c2c1CC[NH2+]C2 ZINC001164679790 719638171 /nfs/dbraw/zinc/63/81/71/719638171.db2.gz NCFMJRIXCHMPQO-UHFFFAOYSA-N 2 1 350.470 2.114 20 30 FEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1 ZINC000093133172 542911383 /nfs/dbraw/zinc/91/13/83/542911383.db2.gz GZBLVIURDMLAQO-OAQYLSRUSA-N 2 1 355.530 2.248 20 30 FEEDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)CCC#N ZINC000160017720 546001288 /nfs/dbraw/zinc/00/12/88/546001288.db2.gz OIINVBMOKYHQDE-QGZVFWFLSA-N 2 1 357.502 2.380 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000173160762 546275145 /nfs/dbraw/zinc/27/51/45/546275145.db2.gz ICQVTHDZRVXRCW-FQEVSTJZSA-N 2 1 357.498 2.044 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000173160762 546275149 /nfs/dbraw/zinc/27/51/49/546275149.db2.gz ICQVTHDZRVXRCW-FQEVSTJZSA-N 2 1 357.498 2.044 20 30 FEEDMP COc1ccccc1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000178585872 546815170 /nfs/dbraw/zinc/81/51/70/546815170.db2.gz RJSANKQZYLNBPH-UHFFFAOYSA-N 2 1 373.545 2.050 20 30 FEEDMP C[NH+]=C(NCC(C)(C)c1cccs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261814318 549757754 /nfs/dbraw/zinc/75/77/54/549757754.db2.gz SYKTZJBBSJSBGP-MRXNPFEDSA-N 2 1 364.559 2.255 20 30 FEEDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693267 /nfs/dbraw/zinc/69/32/67/552693267.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 2 1 358.511 2.465 20 30 FEEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693268 /nfs/dbraw/zinc/69/32/68/552693268.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 2 1 358.511 2.465 20 30 FEEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693269 /nfs/dbraw/zinc/69/32/69/552693269.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 2 1 358.511 2.465 20 30 FEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094845 552693270 /nfs/dbraw/zinc/69/32/70/552693270.db2.gz HFRQRKFMUAGDJL-LJQANCHMSA-N 2 1 358.511 2.465 20 30 FEEDMP COCC[N@@H+](C)CCOc1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1 ZINC000303398037 553745403 /nfs/dbraw/zinc/74/54/03/553745403.db2.gz JBRZFIQZEKGUGU-UHFFFAOYSA-N 2 1 362.518 2.190 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626589 553756677 /nfs/dbraw/zinc/75/66/77/553756677.db2.gz IDVSWESSAIDIGI-NHCUHLMSSA-N 2 1 365.477 2.410 20 30 FEEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000329478888 553954389 /nfs/dbraw/zinc/95/43/89/553954389.db2.gz QHNKNDLXUYBMDO-SFHVURJKSA-N 2 1 366.550 2.088 20 30 FEEDMP Cc1cc[nH+]c(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000330121712 554068276 /nfs/dbraw/zinc/06/82/76/554068276.db2.gz GZSPEGGOUKBDEA-UHFFFAOYSA-N 2 1 357.502 2.300 20 30 FEEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360588294 554880912 /nfs/dbraw/zinc/88/09/12/554880912.db2.gz MPYDGHBUYKVKIT-KRWDZBQOSA-N 2 1 370.497 2.320 20 30 FEEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000367485479 556063131 /nfs/dbraw/zinc/06/31/31/556063131.db2.gz YPYBNEFMIBQUMS-UIFIKXQLSA-N 2 1 354.498 2.468 20 30 FEEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000367485479 556063132 /nfs/dbraw/zinc/06/31/32/556063132.db2.gz YPYBNEFMIBQUMS-UIFIKXQLSA-N 2 1 354.498 2.468 20 30 FEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886884 556165568 /nfs/dbraw/zinc/16/55/68/556165568.db2.gz RIQUIVNFFRTFDU-HXUWFJFHSA-N 2 1 357.502 2.284 20 30 FEEDMP C#CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090856 557072333 /nfs/dbraw/zinc/07/23/33/557072333.db2.gz YRKSTNIIWZLDQM-UYAOXDASSA-N 2 1 354.498 2.219 20 30 FEEDMP C#CC[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090856 557072335 /nfs/dbraw/zinc/07/23/35/557072335.db2.gz YRKSTNIIWZLDQM-UYAOXDASSA-N 2 1 354.498 2.219 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000433335264 559877194 /nfs/dbraw/zinc/87/71/94/559877194.db2.gz KYUCSOVTQMUOBQ-INIZCTEOSA-N 2 1 350.470 2.433 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000469866537 560967443 /nfs/dbraw/zinc/96/74/43/560967443.db2.gz ZDOSTCSPVXRLPU-UYAOXDASSA-N 2 1 357.498 2.332 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284163 561023135 /nfs/dbraw/zinc/02/31/35/561023135.db2.gz KSFVPMXVDJSMIK-ROUUACIJSA-N 2 1 364.534 2.150 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284163 561023136 /nfs/dbraw/zinc/02/31/36/561023136.db2.gz KSFVPMXVDJSMIK-ROUUACIJSA-N 2 1 364.534 2.150 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845392 568000019 /nfs/dbraw/zinc/00/00/19/568000019.db2.gz JIXQUEFXCBDRRZ-QGZVFWFLSA-N 2 1 355.486 2.325 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000303778315 673017660 /nfs/dbraw/zinc/01/76/60/673017660.db2.gz JLUXNUYKNLBFRA-AWEZNQCLSA-N 2 1 366.893 2.042 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)c(F)c1 ZINC000303898638 673018547 /nfs/dbraw/zinc/01/85/47/673018547.db2.gz VOBGCXWSAXPIJC-GFCCVEGCSA-N 2 1 357.271 2.477 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C(F)(F)F ZINC000304751726 673020231 /nfs/dbraw/zinc/02/02/31/673020231.db2.gz JQCLKBPWRXAXEG-CYBMUJFWSA-N 2 1 358.408 2.473 20 30 FEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(Br)cc1C#N ZINC000596362884 673379505 /nfs/dbraw/zinc/37/95/05/673379505.db2.gz PSBWJYZGOAYQBP-LBPRGKRZSA-N 2 1 354.296 2.400 20 30 FEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(Br)cc1C#N ZINC000596362884 673379509 /nfs/dbraw/zinc/37/95/09/673379509.db2.gz PSBWJYZGOAYQBP-LBPRGKRZSA-N 2 1 354.296 2.400 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1snc(C)c1C#N ZINC000839100716 680737945 /nfs/dbraw/zinc/73/79/45/680737945.db2.gz DLLMMZGPVLKVLE-CQSZACIVSA-N 2 1 364.519 2.203 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC000997785045 680366511 /nfs/dbraw/zinc/36/65/11/680366511.db2.gz ICERYTGFAGCZDF-RDTXWAMCSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000928801658 683505943 /nfs/dbraw/zinc/50/59/43/683505943.db2.gz BFLKWIOFOCOHOC-HNNXBMFYSA-N 2 1 360.424 2.143 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000080645779 542598681 /nfs/dbraw/zinc/59/86/81/542598681.db2.gz MMNKJENDAWGVDQ-UHFFFAOYSA-N 2 1 364.534 2.152 20 30 FEEDMP C=CC[N@@H+](CCc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092505678 542867159 /nfs/dbraw/zinc/86/71/59/542867159.db2.gz UHXHOYBESYTAKZ-UHFFFAOYSA-N 2 1 351.498 2.459 20 30 FEEDMP C=CC[N@H+](CCc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092505678 542867163 /nfs/dbraw/zinc/86/71/63/542867163.db2.gz UHXHOYBESYTAKZ-UHFFFAOYSA-N 2 1 351.498 2.459 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079458611 325091735 /nfs/dbraw/zinc/09/17/35/325091735.db2.gz JZUDJTIKGUQEOC-LJQANCHMSA-N 2 1 369.513 2.116 20 30 FEEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177506391 546632892 /nfs/dbraw/zinc/63/28/92/546632892.db2.gz GKOXQIRTWJXSHA-KDURUIRLSA-N 2 1 363.546 2.398 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N(C)CCC#N ZINC000189948256 548314399 /nfs/dbraw/zinc/31/43/99/548314399.db2.gz NBRNFQIJMFRVKR-HTZLVSCSSA-N 2 1 356.514 2.495 20 30 FEEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266990715 550026397 /nfs/dbraw/zinc/02/63/97/550026397.db2.gz UQVXSGDESGMBNU-UHFFFAOYSA-N 2 1 371.451 2.137 20 30 FEEDMP C[N@@H+]1CCCN(CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266990715 550026398 /nfs/dbraw/zinc/02/63/98/550026398.db2.gz UQVXSGDESGMBNU-UHFFFAOYSA-N 2 1 371.451 2.137 20 30 FEEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266990715 550026399 /nfs/dbraw/zinc/02/63/99/550026399.db2.gz UQVXSGDESGMBNU-UHFFFAOYSA-N 2 1 371.451 2.137 20 30 FEEDMP N#Cc1ccc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000286239868 551864603 /nfs/dbraw/zinc/86/46/03/551864603.db2.gz TYERQOVMUPKABW-OAQYLSRUSA-N 2 1 356.514 2.354 20 30 FEEDMP CCOCCCNC(=[NH2+])NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000304759861 553747709 /nfs/dbraw/zinc/74/77/09/553747709.db2.gz RPIFKHIETMVNIQ-UHFFFAOYSA-N 2 1 367.563 2.248 20 30 FEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)C2 ZINC000329547536 553965909 /nfs/dbraw/zinc/96/59/09/553965909.db2.gz DSQJKFIWMKRLBO-KFKAGJAMSA-N 2 1 360.502 2.478 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000368417475 556302814 /nfs/dbraw/zinc/30/28/14/556302814.db2.gz SHMGIPAJOXIXEV-AHRSYUTCSA-N 2 1 370.497 2.366 20 30 FEEDMP C=CCN(C(=O)NCCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368925031 556450000 /nfs/dbraw/zinc/45/00/00/556450000.db2.gz PPYQCUZJPVHCPK-IBGZPJMESA-N 2 1 353.470 2.355 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375459707 558030958 /nfs/dbraw/zinc/03/09/58/558030958.db2.gz LMLANGCEKKXEGM-CGTJXYLNSA-N 2 1 358.486 2.059 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375459707 558030959 /nfs/dbraw/zinc/03/09/59/558030959.db2.gz LMLANGCEKKXEGM-CGTJXYLNSA-N 2 1 358.486 2.059 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497086 560231712 /nfs/dbraw/zinc/23/17/12/560231712.db2.gz KDMUZBQZBLIHBY-LJQANCHMSA-N 2 1 372.488 2.464 20 30 FEEDMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033203 560878643 /nfs/dbraw/zinc/87/86/43/560878643.db2.gz BKNWBBRXQYPNDZ-LPHOPBHVSA-N 2 1 357.502 2.114 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769201 560963981 /nfs/dbraw/zinc/96/39/81/560963981.db2.gz NSPROWLZRREBCG-DMUMMCEESA-N 2 1 366.550 2.156 20 30 FEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769201 560963982 /nfs/dbraw/zinc/96/39/82/560963982.db2.gz NSPROWLZRREBCG-DMUMMCEESA-N 2 1 366.550 2.156 20 30 FEEDMP C[NH+]=C(NCC1(SC)CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086764045 670684278 /nfs/dbraw/zinc/68/42/78/670684278.db2.gz XSPRGNPPTNUBME-MQVJKMGUSA-N 2 1 354.564 2.079 20 30 FEEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCSC1 ZINC000262421794 672915547 /nfs/dbraw/zinc/91/55/47/672915547.db2.gz BGFZRBZTSFQVGM-QGZVFWFLSA-N 2 1 350.488 2.012 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262441877 672916095 /nfs/dbraw/zinc/91/60/95/672916095.db2.gz UTEIRFRVUAHDSC-ZOBUZTSGSA-N 2 1 350.532 2.475 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ncc(Cl)cc1Cl ZINC000303872053 673017869 /nfs/dbraw/zinc/01/78/69/673017869.db2.gz BSRUGJCCBPYWDX-LBPRGKRZSA-N 2 1 359.305 2.189 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000303899141 673018631 /nfs/dbraw/zinc/01/86/31/673018631.db2.gz VZOKCUDALREWJH-MRXNPFEDSA-N 2 1 365.909 2.447 20 30 FEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596596071 673396531 /nfs/dbraw/zinc/39/65/31/673396531.db2.gz ZOBSIAWPBXFJDI-AWEZNQCLSA-N 2 1 365.909 2.283 20 30 FEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000596596071 673396534 /nfs/dbraw/zinc/39/65/34/673396534.db2.gz ZOBSIAWPBXFJDI-AWEZNQCLSA-N 2 1 365.909 2.283 20 30 FEEDMP C=CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)COC ZINC000617582620 676293297 /nfs/dbraw/zinc/29/32/97/676293297.db2.gz QOFKLPBTYKKDDS-QGZVFWFLSA-N 2 1 351.535 2.232 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000838621807 680706502 /nfs/dbraw/zinc/70/65/02/680706502.db2.gz DAPCCMQSGUQCAH-GOSISDBHSA-N 2 1 362.543 2.266 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000838623200 680706706 /nfs/dbraw/zinc/70/67/06/680706706.db2.gz USWLUXYVUGWSGN-UHFFFAOYSA-N 2 1 364.921 2.368 20 30 FEEDMP C=CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000771005788 681036342 /nfs/dbraw/zinc/03/63/42/681036342.db2.gz SFCVZLRDJNZIMF-OAHLLOKOSA-N 2 1 365.547 2.229 20 30 FEEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652701 681735673 /nfs/dbraw/zinc/73/56/73/681735673.db2.gz HVPUPNMQDAMCMM-MRXNPFEDSA-N 2 1 366.849 2.350 20 30 FEEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652701 681735675 /nfs/dbraw/zinc/73/56/75/681735675.db2.gz HVPUPNMQDAMCMM-MRXNPFEDSA-N 2 1 366.849 2.350 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000971568152 682362406 /nfs/dbraw/zinc/36/24/06/682362406.db2.gz WHZVYQOBCWBPGL-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC000971568152 682362411 /nfs/dbraw/zinc/36/24/11/682362411.db2.gz WHZVYQOBCWBPGL-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC000971568152 682362414 /nfs/dbraw/zinc/36/24/14/682362414.db2.gz WHZVYQOBCWBPGL-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000129864205 544129984 /nfs/dbraw/zinc/12/99/84/544129984.db2.gz UIDFPNKIGVIRDB-APWZRJJASA-N 2 1 369.513 2.257 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(O)c(Br)c1 ZINC000153462430 544779113 /nfs/dbraw/zinc/77/91/13/544779113.db2.gz JNKFYSKLZVKCFW-GFCCVEGCSA-N 2 1 355.280 2.043 20 30 FEEDMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000269393965 329515091 /nfs/dbraw/zinc/51/50/91/329515091.db2.gz XWCONTSBTRHVQV-OAQYLSRUSA-N 2 1 356.514 2.082 20 30 FEEDMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000157496700 545748746 /nfs/dbraw/zinc/74/87/46/545748746.db2.gz XYNYJIFEVFLRCU-HXUWFJFHSA-N 2 1 350.466 2.409 20 30 FEEDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000157496700 545748751 /nfs/dbraw/zinc/74/87/51/545748751.db2.gz XYNYJIFEVFLRCU-HXUWFJFHSA-N 2 1 350.466 2.409 20 30 FEEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180872802 547199061 /nfs/dbraw/zinc/19/90/61/547199061.db2.gz BAZMQDVFBLOPPZ-SXZOAGKDSA-N 2 1 365.437 2.358 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183684809 547701326 /nfs/dbraw/zinc/70/13/26/547701326.db2.gz MRBHKTNZVWZWDS-KGLIPLIRSA-N 2 1 355.442 2.232 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000247302786 549314593 /nfs/dbraw/zinc/31/45/93/549314593.db2.gz VCKNWDFDYSHDAV-PKOBYXMFSA-N 2 1 366.550 2.073 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Br)cc1 ZINC000262587959 549830223 /nfs/dbraw/zinc/83/02/23/549830223.db2.gz TXTHHKXUDKXYNB-AWEZNQCLSA-N 2 1 353.308 2.408 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266453392 550020661 /nfs/dbraw/zinc/02/06/61/550020661.db2.gz OKSWCXBGRWVMJO-NRFANRHFSA-N 2 1 371.525 2.434 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266453392 550020663 /nfs/dbraw/zinc/02/06/63/550020663.db2.gz OKSWCXBGRWVMJO-NRFANRHFSA-N 2 1 371.525 2.434 20 30 FEEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)C1 ZINC000267467618 550032270 /nfs/dbraw/zinc/03/22/70/550032270.db2.gz WWOKGIGQPJULSC-SFHVURJKSA-N 2 1 365.481 2.311 20 30 FEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329985922 554044510 /nfs/dbraw/zinc/04/45/10/554044510.db2.gz RKQYHBCCAHEMHL-LJQANCHMSA-N 2 1 372.513 2.466 20 30 FEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329985922 554044512 /nfs/dbraw/zinc/04/45/12/554044512.db2.gz RKQYHBCCAHEMHL-LJQANCHMSA-N 2 1 372.513 2.466 20 30 FEEDMP Cc1cc[nH+]c(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000330134237 554071444 /nfs/dbraw/zinc/07/14/44/554071444.db2.gz MHHSHLJFMCJCHV-AYHJJNSGSA-N 2 1 357.502 2.441 20 30 FEEDMP Cc1cc[nH+]c(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000330134237 554071449 /nfs/dbraw/zinc/07/14/49/554071449.db2.gz MHHSHLJFMCJCHV-AYHJJNSGSA-N 2 1 357.502 2.441 20 30 FEEDMP CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363322542 555078246 /nfs/dbraw/zinc/07/82/46/555078246.db2.gz IPFWDDAWEKJRIC-HXUWFJFHSA-N 2 1 367.497 2.096 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000515832549 562023034 /nfs/dbraw/zinc/02/30/34/562023034.db2.gz ZSWKROPDTAWKAA-LJQANCHMSA-N 2 1 361.486 2.015 20 30 FEEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822955 558426791 /nfs/dbraw/zinc/42/67/91/558426791.db2.gz DVPVNQKWFGEJEI-IRXDYDNUSA-N 2 1 351.454 2.431 20 30 FEEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822954 558426867 /nfs/dbraw/zinc/42/68/67/558426867.db2.gz DVPVNQKWFGEJEI-IAGOWNOFSA-N 2 1 351.454 2.431 20 30 FEEDMP CN(C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420645135 559494976 /nfs/dbraw/zinc/49/49/76/559494976.db2.gz ZWQMRLBMNLEGMG-ROUUACIJSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@@H]1CCC[NH+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420645135 559494977 /nfs/dbraw/zinc/49/49/77/559494977.db2.gz ZWQMRLBMNLEGMG-ROUUACIJSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@@H]1CCC[NH+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420645135 559494978 /nfs/dbraw/zinc/49/49/78/559494978.db2.gz ZWQMRLBMNLEGMG-ROUUACIJSA-N 2 1 356.518 2.014 20 30 FEEDMP C(#CC[N@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429028236 559789136 /nfs/dbraw/zinc/78/91/36/559789136.db2.gz MAUFHYXMWGEYMN-FGZHOGPDSA-N 2 1 360.542 2.487 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284161 561023131 /nfs/dbraw/zinc/02/31/31/561023131.db2.gz KSFVPMXVDJSMIK-QZTJIDSGSA-N 2 1 364.534 2.150 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284161 561023132 /nfs/dbraw/zinc/02/31/32/561023132.db2.gz KSFVPMXVDJSMIK-QZTJIDSGSA-N 2 1 364.534 2.150 20 30 FEEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000568520827 568045906 /nfs/dbraw/zinc/04/59/06/568045906.db2.gz AQLZQHSNFQOXOS-IBGZPJMESA-N 2 1 360.421 2.496 20 30 FEEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160712647 672292952 /nfs/dbraw/zinc/29/29/52/672292952.db2.gz AMPSXIROTNIHRK-GFCCVEGCSA-N 2 1 360.380 2.423 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261960929 672906087 /nfs/dbraw/zinc/90/60/87/672906087.db2.gz KCOQBOPEPCMKFS-AZUAARDMSA-N 2 1 350.551 2.432 20 30 FEEDMP C[NH+]=C(NCc1csc(Br)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262691904 672919116 /nfs/dbraw/zinc/91/91/16/672919116.db2.gz ADMRHZYCJDBYTG-LLVKDONJSA-N 2 1 357.321 2.412 20 30 FEEDMP C[NH+]=C(NCc1csc(Br)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262691904 672919126 /nfs/dbraw/zinc/91/91/26/672919126.db2.gz ADMRHZYCJDBYTG-LLVKDONJSA-N 2 1 357.321 2.412 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378943 680257926 /nfs/dbraw/zinc/25/79/26/680257926.db2.gz FZRHVTYNFGDLNR-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378943 680257934 /nfs/dbraw/zinc/25/79/34/680257934.db2.gz FZRHVTYNFGDLNR-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023378943 680257937 /nfs/dbraw/zinc/25/79/37/680257937.db2.gz FZRHVTYNFGDLNR-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023378943 680257941 /nfs/dbraw/zinc/25/79/41/680257941.db2.gz FZRHVTYNFGDLNR-QLFBSQMISA-N 2 1 358.324 2.063 20 30 FEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)c1ccccc1C#N ZINC000912302302 685349389 /nfs/dbraw/zinc/34/93/89/685349389.db2.gz AROPAIOAWRHWTJ-AWEZNQCLSA-N 2 1 352.429 2.038 20 30 FEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)c1ccccc1C#N ZINC000912302302 685349397 /nfs/dbraw/zinc/34/93/97/685349397.db2.gz AROPAIOAWRHWTJ-AWEZNQCLSA-N 2 1 352.429 2.038 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000961856879 682103238 /nfs/dbraw/zinc/10/32/38/682103238.db2.gz PUPCORPMYHIJCR-JOCCRWCTSA-N 2 1 360.527 2.334 20 30 FEEDMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(CC#N)n(C)c1=S ZINC000872744126 685011791 /nfs/dbraw/zinc/01/17/91/685011791.db2.gz OWBNOGPWIYLLRS-UHFFFAOYSA-N 2 1 350.536 2.274 20 30 FEEDMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(CC#N)n(C)c1=S ZINC000872744126 685011793 /nfs/dbraw/zinc/01/17/93/685011793.db2.gz OWBNOGPWIYLLRS-UHFFFAOYSA-N 2 1 350.536 2.274 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089595257 542765359 /nfs/dbraw/zinc/76/53/59/542765359.db2.gz FPTQRJIJZYGLKU-GDBMZVCRSA-N 2 1 356.474 2.229 20 30 FEEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000193610900 328385580 /nfs/dbraw/zinc/38/55/80/328385580.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000193610900 328385582 /nfs/dbraw/zinc/38/55/82/328385582.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000193610900 328385584 /nfs/dbraw/zinc/38/55/84/328385584.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000193610900 328385586 /nfs/dbraw/zinc/38/55/86/328385586.db2.gz PWIBUWHOJZANNF-OKILXGFUSA-N 2 1 358.511 2.321 20 30 FEEDMP Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(-c2ccc(C#N)cc2)n1 ZINC000180191166 547065555 /nfs/dbraw/zinc/06/55/55/547065555.db2.gz HGJGIAJLSDRPHP-FQEVSTJZSA-N 2 1 367.497 2.285 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261965016 549774599 /nfs/dbraw/zinc/77/45/99/549774599.db2.gz LETLMJQWLWXMMB-AEFFLSMTSA-N 2 1 373.545 2.090 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000264936433 550004333 /nfs/dbraw/zinc/00/43/33/550004333.db2.gz DFARIURIUQBRNO-LJQANCHMSA-N 2 1 353.470 2.010 20 30 FEEDMP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000267446782 550031715 /nfs/dbraw/zinc/03/17/15/550031715.db2.gz QHDKJYRPZYUASP-WCQYABFASA-N 2 1 358.317 2.205 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000304783765 553747533 /nfs/dbraw/zinc/74/75/33/553747533.db2.gz HFJBWMABPMINIV-UHFFFAOYSA-N 2 1 359.518 2.372 20 30 FEEDMP C[N@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821727 /nfs/dbraw/zinc/82/17/27/553821727.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 2 1 361.490 2.022 20 30 FEEDMP C[N@@H+]1CCCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821728 /nfs/dbraw/zinc/82/17/28/553821728.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 2 1 361.490 2.022 20 30 FEEDMP C[N@H+]1CCCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821730 /nfs/dbraw/zinc/82/17/30/553821730.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 2 1 361.490 2.022 20 30 FEEDMP CN(C)c1[nH+]cc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1C ZINC000329373985 553934409 /nfs/dbraw/zinc/93/44/09/553934409.db2.gz KWPWSTVFQLGLMQ-CQSZACIVSA-N 2 1 351.520 2.160 20 30 FEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@@H]2C1 ZINC000329537681 553964033 /nfs/dbraw/zinc/96/40/33/553964033.db2.gz MGPJJVRQCDUNDX-BZUAXINKSA-N 2 1 359.518 2.435 20 30 FEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000329758191 554001061 /nfs/dbraw/zinc/00/10/61/554001061.db2.gz ZVLMWEYXEZFJDL-IAGOWNOFSA-N 2 1 372.513 2.404 20 30 FEEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329815601 554011189 /nfs/dbraw/zinc/01/11/89/554011189.db2.gz VIIJLVDIGVBVHA-AEFFLSMTSA-N 2 1 364.534 2.008 20 30 FEEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000329972585 554041469 /nfs/dbraw/zinc/04/14/69/554041469.db2.gz YFNSVOZHWSTZCN-XYJFISCASA-N 2 1 357.502 2.308 20 30 FEEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000329972585 554041470 /nfs/dbraw/zinc/04/14/70/554041470.db2.gz YFNSVOZHWSTZCN-XYJFISCASA-N 2 1 357.502 2.308 20 30 FEEDMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nc(C)n1 ZINC000330199624 554083844 /nfs/dbraw/zinc/08/38/44/554083844.db2.gz VREHNNFISZFDOM-RHSMWYFYSA-N 2 1 360.506 2.049 20 30 FEEDMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000330199624 554083849 /nfs/dbraw/zinc/08/38/49/554083849.db2.gz VREHNNFISZFDOM-RHSMWYFYSA-N 2 1 360.506 2.049 20 30 FEEDMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000513546007 561942373 /nfs/dbraw/zinc/94/23/73/561942373.db2.gz VBAJDCRTJVWQAM-FQEVSTJZSA-N 2 1 368.456 2.076 20 30 FEEDMP C(#CC[N@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000367060606 556000685 /nfs/dbraw/zinc/00/06/85/556000685.db2.gz CSSRRAVWRWAWQS-SZPZYZBQSA-N 2 1 360.542 2.487 20 30 FEEDMP C(#CC[N@@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000367060606 556000687 /nfs/dbraw/zinc/00/06/87/556000687.db2.gz CSSRRAVWRWAWQS-SZPZYZBQSA-N 2 1 360.542 2.487 20 30 FEEDMP C(#CC[N@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000367060606 556000689 /nfs/dbraw/zinc/00/06/89/556000689.db2.gz CSSRRAVWRWAWQS-SZPZYZBQSA-N 2 1 360.542 2.487 20 30 FEEDMP C(#CC[N@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000367060607 556000693 /nfs/dbraw/zinc/00/06/93/556000693.db2.gz CSSRRAVWRWAWQS-VXKWHMMOSA-N 2 1 360.542 2.487 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=N)N([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000371439155 557187035 /nfs/dbraw/zinc/18/70/35/557187035.db2.gz SJBMKFACVKIOPE-LSDHHAIUSA-N 2 1 365.481 2.273 20 30 FEEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378296481 558523073 /nfs/dbraw/zinc/52/30/73/558523073.db2.gz RVUQPXPBKJDTMA-FQEVSTJZSA-N 2 1 356.514 2.427 20 30 FEEDMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418686855 559411169 /nfs/dbraw/zinc/41/11/69/559411169.db2.gz CSQXAESKWBUVQV-QGZVFWFLSA-N 2 1 357.502 2.293 20 30 FEEDMP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1Br ZINC000424178282 559656764 /nfs/dbraw/zinc/65/67/64/559656764.db2.gz WKSLKTLZVDGBGS-CQSZACIVSA-N 2 1 353.264 2.470 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231684 /nfs/dbraw/zinc/23/16/84/560231684.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 1 354.498 2.324 20 30 FEEDMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231685 /nfs/dbraw/zinc/23/16/85/560231685.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 1 354.498 2.324 20 30 FEEDMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231686 /nfs/dbraw/zinc/23/16/86/560231686.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 1 354.498 2.324 20 30 FEEDMP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605149 560959389 /nfs/dbraw/zinc/95/93/89/560959389.db2.gz PRKUPYYMXUTGSA-PKOBYXMFSA-N 2 1 354.498 2.391 20 30 FEEDMP C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1ccnc1 ZINC000528426420 562328695 /nfs/dbraw/zinc/32/86/95/562328695.db2.gz SZDYIQITPPDXQT-VQIMIIECSA-N 2 1 362.433 2.066 20 30 FEEDMP C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1ccnc1 ZINC000528426420 562328696 /nfs/dbraw/zinc/32/86/96/562328696.db2.gz SZDYIQITPPDXQT-VQIMIIECSA-N 2 1 362.433 2.066 20 30 FEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557804 567991409 /nfs/dbraw/zinc/99/14/09/567991409.db2.gz JGANRLKZLFIOJJ-NQIIRXRSSA-N 2 1 357.498 2.312 20 30 FEEDMP C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083125405 670655487 /nfs/dbraw/zinc/65/54/87/670655487.db2.gz WQBUFHUGXYBRQW-CQSZACIVSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083125405 670655491 /nfs/dbraw/zinc/65/54/91/670655491.db2.gz WQBUFHUGXYBRQW-CQSZACIVSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000578496206 671669275 /nfs/dbraw/zinc/66/92/75/671669275.db2.gz UBTLIFZMVWDPRO-UHFFFAOYSA-N 2 1 356.817 2.006 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000592071181 672747093 /nfs/dbraw/zinc/74/70/93/672747093.db2.gz JBBUQNPEJVIJNB-LNLFQRSKSA-N 2 1 351.535 2.277 20 30 FEEDMP C[NH+]=C(NCc1nc(C)no1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262355291 672913942 /nfs/dbraw/zinc/91/39/42/672913942.db2.gz HXTZPHMHYVRHDF-XJKSGUPXSA-N 2 1 362.503 2.188 20 30 FEEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262788263 672920941 /nfs/dbraw/zinc/92/09/41/672920941.db2.gz NEYSNGSKHJEUMV-OQVRHKMJSA-N 2 1 350.551 2.498 20 30 FEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262788359 672920968 /nfs/dbraw/zinc/92/09/68/672920968.db2.gz NKEKDMAJVZCEPI-CYJAXWMASA-N 2 1 368.591 2.182 20 30 FEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCSCC1)c1cccc(OC)c1 ZINC000303783600 673017622 /nfs/dbraw/zinc/01/76/22/673017622.db2.gz OKAUVDZMWSHLAJ-QGZVFWFLSA-N 2 1 350.532 2.442 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000303906361 673019267 /nfs/dbraw/zinc/01/92/67/673019267.db2.gz ZXJGRDKBFHWBPL-IRXDYDNUSA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303906361 673019271 /nfs/dbraw/zinc/01/92/71/673019271.db2.gz ZXJGRDKBFHWBPL-IRXDYDNUSA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303906361 673019276 /nfs/dbraw/zinc/01/92/76/673019276.db2.gz ZXJGRDKBFHWBPL-IRXDYDNUSA-N 3 1 363.575 2.349 20 30 FEEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819335272 675282396 /nfs/dbraw/zinc/28/23/96/675282396.db2.gz URKQVSCLTUPSCK-UHFFFAOYSA-N 2 1 352.276 2.322 20 30 FEEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819335272 675282397 /nfs/dbraw/zinc/28/23/97/675282397.db2.gz URKQVSCLTUPSCK-UHFFFAOYSA-N 2 1 352.276 2.322 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001026496208 680344846 /nfs/dbraw/zinc/34/48/46/680344846.db2.gz QSWJEXBLYPBIDW-SEVFCGSRSA-N 2 1 360.527 2.477 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001034213919 680430976 /nfs/dbraw/zinc/43/09/76/680430976.db2.gz DSXRTZWXZSXPBN-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001034213919 680430977 /nfs/dbraw/zinc/43/09/77/680430977.db2.gz DSXRTZWXZSXPBN-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001034213919 680430978 /nfs/dbraw/zinc/43/09/78/680430978.db2.gz DSXRTZWXZSXPBN-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001034213919 680430979 /nfs/dbraw/zinc/43/09/79/680430979.db2.gz DSXRTZWXZSXPBN-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)cc1 ZINC000912499251 685386738 /nfs/dbraw/zinc/38/67/38/685386738.db2.gz OGJNETPQXSTHEJ-UHFFFAOYSA-N 2 1 350.482 2.382 20 30 FEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551792 682358840 /nfs/dbraw/zinc/35/88/40/682358840.db2.gz LYVDXLGCFAUWDH-KSZLIROESA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551792 682358845 /nfs/dbraw/zinc/35/88/45/682358845.db2.gz LYVDXLGCFAUWDH-KSZLIROESA-N 2 1 369.937 2.019 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000971568151 682361943 /nfs/dbraw/zinc/36/19/43/682361943.db2.gz WHZVYQOBCWBPGL-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC000971568151 682361948 /nfs/dbraw/zinc/36/19/48/682361948.db2.gz WHZVYQOBCWBPGL-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC000971568151 682361953 /nfs/dbraw/zinc/36/19/53/682361953.db2.gz WHZVYQOBCWBPGL-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000796280867 683148147 /nfs/dbraw/zinc/14/81/47/683148147.db2.gz SSWGJUNGOLGQJF-UHFFFAOYSA-N 2 1 356.499 2.230 20 30 FEEDMP CN1CCN(C(=O)c2ccc(CNCc3csc(C#N)c3)cc2)CC1 ZINC000921539880 683496794 /nfs/dbraw/zinc/49/67/94/683496794.db2.gz QQUHPVZMRKCEJF-UHFFFAOYSA-N 2 1 354.479 2.297 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000876926211 686295908 /nfs/dbraw/zinc/29/59/08/686295908.db2.gz MHBLRDOZHRAYFJ-HNNXBMFYSA-N 2 1 365.909 2.053 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080572486 542595342 /nfs/dbraw/zinc/59/53/42/542595342.db2.gz YRNKDDGTBAJJJL-WOJBJXKFSA-N 2 1 354.498 2.323 20 30 FEEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C#N ZINC000089677610 542768582 /nfs/dbraw/zinc/76/85/82/542768582.db2.gz LNGUPAJVDXQHEX-SFHVURJKSA-N 2 1 366.469 2.036 20 30 FEEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1C#N ZINC000089677610 542768586 /nfs/dbraw/zinc/76/85/86/542768586.db2.gz LNGUPAJVDXQHEX-SFHVURJKSA-N 2 1 366.469 2.036 20 30 FEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000118399214 326090524 /nfs/dbraw/zinc/09/05/24/326090524.db2.gz JPANMOKPHUSOEB-QGZVFWFLSA-N 2 1 354.498 2.495 20 30 FEEDMP COc1ccccc1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000170912495 546182381 /nfs/dbraw/zinc/18/23/81/546182381.db2.gz NGFDDCDDQYDIAT-UHFFFAOYSA-N 2 1 350.426 2.189 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186339741 548121783 /nfs/dbraw/zinc/12/17/83/548121783.db2.gz VHEXHODZQATVDC-OAQYLSRUSA-N 2 1 353.510 2.455 20 30 FEEDMP C#CCOc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000188053859 548270414 /nfs/dbraw/zinc/27/04/14/548270414.db2.gz VDPPDNLHZMTQQK-UHFFFAOYSA-N 2 1 358.486 2.188 20 30 FEEDMP C#CCOc1ccccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000188053859 548270418 /nfs/dbraw/zinc/27/04/18/548270418.db2.gz VDPPDNLHZMTQQK-UHFFFAOYSA-N 2 1 358.486 2.188 20 30 FEEDMP CCN(CCC#N)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189955527 548315620 /nfs/dbraw/zinc/31/56/20/548315620.db2.gz AWMMNZZDUBSOII-QZTJIDSGSA-N 2 1 356.514 2.495 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246522797 549151933 /nfs/dbraw/zinc/15/19/33/549151933.db2.gz IWOAARHBKFMFDJ-QFUCXCTJSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246522797 549151934 /nfs/dbraw/zinc/15/19/34/549151934.db2.gz IWOAARHBKFMFDJ-QFUCXCTJSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246522797 549151935 /nfs/dbraw/zinc/15/19/35/549151935.db2.gz IWOAARHBKFMFDJ-QFUCXCTJSA-N 2 1 355.482 2.247 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000264089067 549978121 /nfs/dbraw/zinc/97/81/21/549978121.db2.gz KLUYHMIFHQSWIZ-QGZVFWFLSA-N 2 1 360.506 2.105 20 30 FEEDMP CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264121774 549981419 /nfs/dbraw/zinc/98/14/19/549981419.db2.gz VGUBMXZQEPVJDZ-YJBOKZPZSA-N 2 1 359.518 2.104 20 30 FEEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)C1 ZINC000267393861 550030479 /nfs/dbraw/zinc/03/04/79/550030479.db2.gz DNNHIMCCWPWMTM-GOSISDBHSA-N 2 1 371.529 2.121 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274796777 550555024 /nfs/dbraw/zinc/55/50/24/550555024.db2.gz DKPZWCWDUYHVKD-WSTZPKSXSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274796777 550555025 /nfs/dbraw/zinc/55/50/25/550555025.db2.gz DKPZWCWDUYHVKD-WSTZPKSXSA-N 2 1 356.514 2.495 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311941171 553755492 /nfs/dbraw/zinc/75/54/92/553755492.db2.gz HXESVNMWCPVQAC-WOJBJXKFSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311941171 553755496 /nfs/dbraw/zinc/75/54/96/553755496.db2.gz HXESVNMWCPVQAC-WOJBJXKFSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311941171 553755499 /nfs/dbraw/zinc/75/54/99/553755499.db2.gz HXESVNMWCPVQAC-WOJBJXKFSA-N 2 1 354.498 2.202 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000364147208 555258700 /nfs/dbraw/zinc/25/87/00/555258700.db2.gz TXMSEDGKILSLHI-QWHCGFSZSA-N 2 1 373.432 2.371 20 30 FEEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175383 555263374 /nfs/dbraw/zinc/26/33/74/555263374.db2.gz INCFXRJUZQRBHW-INIZCTEOSA-N 2 1 358.511 2.201 20 30 FEEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175383 555263376 /nfs/dbraw/zinc/26/33/76/555263376.db2.gz INCFXRJUZQRBHW-INIZCTEOSA-N 2 1 358.511 2.201 20 30 FEEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175384 555263386 /nfs/dbraw/zinc/26/33/86/555263386.db2.gz INCFXRJUZQRBHW-MRXNPFEDSA-N 2 1 358.511 2.201 20 30 FEEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175384 555263389 /nfs/dbraw/zinc/26/33/89/555263389.db2.gz INCFXRJUZQRBHW-MRXNPFEDSA-N 2 1 358.511 2.201 20 30 FEEDMP Cc1ccc(N2CCC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2)[nH+]c1 ZINC000366059825 555739776 /nfs/dbraw/zinc/73/97/76/555739776.db2.gz XCGATYKVBXXCCB-SFHVURJKSA-N 2 1 357.502 2.300 20 30 FEEDMP C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147557 556793388 /nfs/dbraw/zinc/79/33/88/556793388.db2.gz DNTHEZAFAVRWQC-WIYYLYMNSA-N 2 1 356.514 2.285 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370711137 556946704 /nfs/dbraw/zinc/94/67/04/556946704.db2.gz WBNLIHNDGOMMPY-DBXWQHBBSA-N 2 1 356.514 2.435 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370711137 556946705 /nfs/dbraw/zinc/94/67/05/556946705.db2.gz WBNLIHNDGOMMPY-DBXWQHBBSA-N 2 1 356.514 2.435 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000370942577 557023694 /nfs/dbraw/zinc/02/36/94/557023694.db2.gz QRZKFWFTDSDJTI-BEFAXECRSA-N 2 1 374.554 2.123 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)CC1 ZINC000377819791 558426607 /nfs/dbraw/zinc/42/66/07/558426607.db2.gz ZLODWUBNBHMARW-ACRUOGEOSA-N 2 1 351.494 2.093 20 30 FEEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000525886713 562258545 /nfs/dbraw/zinc/25/85/45/562258545.db2.gz UPXXDCBVYSCOPL-UHFFFAOYSA-N 2 1 354.498 2.393 20 30 FEEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415051202 559202619 /nfs/dbraw/zinc/20/26/19/559202619.db2.gz GSVGXRKSKQEHJP-ZDUSSCGKSA-N 2 1 373.291 2.164 20 30 FEEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1OCC ZINC000415051202 559202620 /nfs/dbraw/zinc/20/26/20/559202620.db2.gz GSVGXRKSKQEHJP-ZDUSSCGKSA-N 2 1 373.291 2.164 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000429241472 559793462 /nfs/dbraw/zinc/79/34/62/559793462.db2.gz MFBRJKXARZYRTM-UHFFFAOYSA-N 2 1 353.470 2.346 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000429241472 559793463 /nfs/dbraw/zinc/79/34/63/559793463.db2.gz MFBRJKXARZYRTM-UHFFFAOYSA-N 2 1 353.470 2.346 20 30 FEEDMP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453929 560687356 /nfs/dbraw/zinc/68/73/56/560687356.db2.gz DHAGMKOXWNQRAL-SJLPKXTDSA-N 2 1 360.889 2.266 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265759 561022379 /nfs/dbraw/zinc/02/23/79/561022379.db2.gz YYRCVCVDAZOFSA-APWZRJJASA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265759 561022380 /nfs/dbraw/zinc/02/23/80/561022380.db2.gz YYRCVCVDAZOFSA-APWZRJJASA-N 2 1 358.486 2.318 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592071184 672746886 /nfs/dbraw/zinc/74/68/86/672746886.db2.gz JBBUQNPEJVIJNB-ZIFCJYIRSA-N 2 1 351.535 2.277 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592071184 672746890 /nfs/dbraw/zinc/74/68/90/672746890.db2.gz JBBUQNPEJVIJNB-ZIFCJYIRSA-N 2 1 351.535 2.277 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592071180 672747037 /nfs/dbraw/zinc/74/70/37/672747037.db2.gz JBBUQNPEJVIJNB-LMMKCTJWSA-N 2 1 351.535 2.277 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1Br ZINC000262002065 672907546 /nfs/dbraw/zinc/90/75/46/672907546.db2.gz QAUZZRYTEPNASY-CYBMUJFWSA-N 2 1 357.271 2.477 20 30 FEEDMP C[NH+]=C(NCCc1ccc(Br)s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262814545 672921301 /nfs/dbraw/zinc/92/13/01/672921301.db2.gz RPXJRVRCMQLUDA-LLVKDONJSA-N 2 1 371.348 2.455 20 30 FEEDMP C[NH+]=C(NCCc1ccc(Br)s1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262814545 672921305 /nfs/dbraw/zinc/92/13/05/672921305.db2.gz RPXJRVRCMQLUDA-LLVKDONJSA-N 2 1 371.348 2.455 20 30 FEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661118440 678437275 /nfs/dbraw/zinc/43/72/75/678437275.db2.gz DVNIZHUBITUDIP-GUDVDZBRSA-N 2 1 351.535 2.184 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC2(C)C)CC[N@@H+]1C ZINC000974604056 679962790 /nfs/dbraw/zinc/96/27/90/679962790.db2.gz DLPGZRYRNCIZJS-KBRIMQKVSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC2(C)C)CC[N@H+]1C ZINC000974604056 679962794 /nfs/dbraw/zinc/96/27/94/679962794.db2.gz DLPGZRYRNCIZJS-KBRIMQKVSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC2(C)C)CC[NH+]1C ZINC000974604056 679962798 /nfs/dbraw/zinc/96/27/98/679962798.db2.gz DLPGZRYRNCIZJS-KBRIMQKVSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC2(C)C)CC[NH+]1C ZINC000974604056 679962801 /nfs/dbraw/zinc/96/28/01/679962801.db2.gz DLPGZRYRNCIZJS-KBRIMQKVSA-N 2 1 360.527 2.287 20 30 FEEDMP C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000963829743 682148087 /nfs/dbraw/zinc/14/80/87/682148087.db2.gz DSHPTAFWHQKZJJ-KBMGIXFMSA-N 2 1 370.335 2.252 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC000969691827 682272746 /nfs/dbraw/zinc/27/27/46/682272746.db2.gz XXRDUHDLMUDGBU-JEBQAFNWSA-N 2 1 360.527 2.287 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000969691827 682272747 /nfs/dbraw/zinc/27/27/47/682272747.db2.gz XXRDUHDLMUDGBU-JEBQAFNWSA-N 2 1 360.527 2.287 20 30 FEEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2csc(C#N)c2)cc[nH+]1 ZINC000922034381 683643320 /nfs/dbraw/zinc/64/33/20/683643320.db2.gz UVOTYNJLBJDRCS-KBPBESRZSA-N 2 1 360.462 2.182 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC#Cc1ccccc1 ZINC000073571514 541968424 /nfs/dbraw/zinc/96/84/24/541968424.db2.gz ZJKUIFCEDZZZEL-FQEVSTJZSA-N 2 1 356.514 2.096 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000106290644 543221800 /nfs/dbraw/zinc/22/18/00/543221800.db2.gz XWGSFFUCLVSZHT-OAQYLSRUSA-N 2 1 370.541 2.132 20 30 FEEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156294103 545615135 /nfs/dbraw/zinc/61/51/35/545615135.db2.gz MPBVAVVYLMMVGS-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156294103 545615139 /nfs/dbraw/zinc/61/51/39/545615139.db2.gz MPBVAVVYLMMVGS-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000157388700 545736089 /nfs/dbraw/zinc/73/60/89/545736089.db2.gz AZDJMVPGIQFFCF-KRWDZBQOSA-N 2 1 362.518 2.476 20 30 FEEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262467608 549822356 /nfs/dbraw/zinc/82/23/56/549822356.db2.gz TXVKRZZZLZUAAM-BURFUSLBSA-N 2 1 360.502 2.395 20 30 FEEDMP Cc1cc(C)cc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000264101237 549979180 /nfs/dbraw/zinc/97/91/80/549979180.db2.gz NYXVFTANHDPNIO-UHFFFAOYSA-N 2 1 352.486 2.377 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000264113970 549980489 /nfs/dbraw/zinc/98/04/89/549980489.db2.gz PMEOVPVWKZAMIH-KRWDZBQOSA-N 2 1 369.469 2.421 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264713201 550000382 /nfs/dbraw/zinc/00/03/82/550000382.db2.gz WHNSZSBEYMCCMY-LJQANCHMSA-N 2 1 372.513 2.006 20 30 FEEDMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000272968072 550478700 /nfs/dbraw/zinc/47/87/00/550478700.db2.gz ODLJTCKZKIZEKS-KRWDZBQOSA-N 2 1 369.513 2.282 20 30 FEEDMP C[N@H+]1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC000287575487 552021001 /nfs/dbraw/zinc/02/10/01/552021001.db2.gz QSROGDSZDQBKTP-UHFFFAOYSA-N 2 1 355.530 2.143 20 30 FEEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289369044 552308923 /nfs/dbraw/zinc/30/89/23/552308923.db2.gz IDSFLMCLWVMYCI-IBGZPJMESA-N 2 1 373.545 2.137 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626595 553756454 /nfs/dbraw/zinc/75/64/54/553756454.db2.gz IDVSWESSAIDIGI-SFTDATJTSA-N 2 1 365.477 2.410 20 30 FEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)[C@@H]2C1 ZINC000329279622 553916506 /nfs/dbraw/zinc/91/65/06/553916506.db2.gz LTKDYSAFKHUAEH-RTBURBONSA-N 2 1 353.470 2.371 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000329758190 554001194 /nfs/dbraw/zinc/00/11/94/554001194.db2.gz ZVLMWEYXEZFJDL-CALCHBBNSA-N 2 1 372.513 2.404 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000329758190 554001196 /nfs/dbraw/zinc/00/11/96/554001196.db2.gz ZVLMWEYXEZFJDL-CALCHBBNSA-N 2 1 372.513 2.404 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000329959219 554039357 /nfs/dbraw/zinc/03/93/57/554039357.db2.gz QMKDHWJGLHBBRT-MSOLQXFVSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000329959219 554039358 /nfs/dbraw/zinc/03/93/58/554039358.db2.gz QMKDHWJGLHBBRT-MSOLQXFVSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000329959219 554039360 /nfs/dbraw/zinc/03/93/60/554039360.db2.gz QMKDHWJGLHBBRT-MSOLQXFVSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000329959219 554039361 /nfs/dbraw/zinc/03/93/61/554039361.db2.gz QMKDHWJGLHBBRT-MSOLQXFVSA-N 2 1 358.486 2.421 20 30 FEEDMP CCC[NH+]1CCC(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000330184908 554080795 /nfs/dbraw/zinc/08/07/95/554080795.db2.gz IUMDBVLIITYNGW-UHFFFAOYSA-N 2 1 374.533 2.440 20 30 FEEDMP C(#CC[N@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000367060605 556000913 /nfs/dbraw/zinc/00/09/13/556000913.db2.gz CSSRRAVWRWAWQS-FGZHOGPDSA-N 2 1 360.542 2.487 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000368417477 556302897 /nfs/dbraw/zinc/30/28/97/556302897.db2.gz SHMGIPAJOXIXEV-NSISKUIASA-N 2 1 370.497 2.366 20 30 FEEDMP C#CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090853 557072094 /nfs/dbraw/zinc/07/20/94/557072094.db2.gz YRKSTNIIWZLDQM-AZUAARDMSA-N 2 1 354.498 2.219 20 30 FEEDMP C#CC[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090853 557072097 /nfs/dbraw/zinc/07/20/97/557072097.db2.gz YRKSTNIIWZLDQM-AZUAARDMSA-N 2 1 354.498 2.219 20 30 FEEDMP C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373219731 557652351 /nfs/dbraw/zinc/65/23/51/557652351.db2.gz VOTRJQCQUXSZEG-FQEVSTJZSA-N 2 1 356.514 2.427 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000376223999 558144070 /nfs/dbraw/zinc/14/40/70/558144070.db2.gz DKMHCZSEIRRKJD-LJQANCHMSA-N 2 1 371.529 2.243 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000418612976 559407845 /nfs/dbraw/zinc/40/78/45/559407845.db2.gz FIRIMJZCRLURNG-FQEVSTJZSA-N 2 1 369.513 2.293 20 30 FEEDMP C(#CC[N@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000429028240 559789208 /nfs/dbraw/zinc/78/92/08/559789208.db2.gz MAUFHYXMWGEYMN-VXKWHMMOSA-N 2 1 360.542 2.487 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000469866535 560967426 /nfs/dbraw/zinc/96/74/26/560967426.db2.gz ZDOSTCSPVXRLPU-QUCCMNQESA-N 2 1 357.498 2.332 20 30 FEEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179070455 672398668 /nfs/dbraw/zinc/39/86/68/672398668.db2.gz FQIFRWYZLXCRLU-AWEZNQCLSA-N 2 1 370.950 2.174 20 30 FEEDMP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccccc1Cl ZINC000304754030 673020172 /nfs/dbraw/zinc/02/01/72/673020172.db2.gz YQNKOSDKZGPGNU-OAHLLOKOSA-N 2 1 368.909 2.124 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028550626 680373810 /nfs/dbraw/zinc/37/38/10/680373810.db2.gz FFYCKPGUVRBDLL-SOUVJXGZSA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028550626 680373812 /nfs/dbraw/zinc/37/38/12/680373812.db2.gz FFYCKPGUVRBDLL-SOUVJXGZSA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028550626 680373817 /nfs/dbraw/zinc/37/38/17/680373817.db2.gz FFYCKPGUVRBDLL-SOUVJXGZSA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028550626 680373821 /nfs/dbraw/zinc/37/38/21/680373821.db2.gz FFYCKPGUVRBDLL-SOUVJXGZSA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647766 680436527 /nfs/dbraw/zinc/43/65/27/680436527.db2.gz OUQKHGMQZPYYNG-KBUPBQIOSA-N 2 1 358.324 2.252 20 30 FEEDMP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000877625214 686424981 /nfs/dbraw/zinc/42/49/81/686424981.db2.gz WXTPQNACZROAIW-GOSISDBHSA-N 2 1 356.857 2.463 20 30 FEEDMP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000877625214 686424984 /nfs/dbraw/zinc/42/49/84/686424984.db2.gz WXTPQNACZROAIW-GOSISDBHSA-N 2 1 356.857 2.463 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072694630 541852606 /nfs/dbraw/zinc/85/26/06/541852606.db2.gz QWJZACYNBMDBOS-UHFFFAOYSA-N 2 1 358.486 2.320 20 30 FEEDMP N#CCC[C@H](C#N)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120298438 543677871 /nfs/dbraw/zinc/67/78/71/543677871.db2.gz PRMCIARGNFCJMY-GOSISDBHSA-N 2 1 359.518 2.134 20 30 FEEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000187678904 328039384 /nfs/dbraw/zinc/03/93/84/328039384.db2.gz NXOYRQOVKIHPEC-KRWDZBQOSA-N 2 1 354.498 2.495 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928115 545584392 /nfs/dbraw/zinc/58/43/92/545584392.db2.gz NRJRRZONLOXIJR-UEXGIBASSA-N 2 1 356.514 2.082 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928115 545584394 /nfs/dbraw/zinc/58/43/94/545584394.db2.gz NRJRRZONLOXIJR-UEXGIBASSA-N 2 1 356.514 2.082 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000247302774 549314490 /nfs/dbraw/zinc/31/44/90/549314490.db2.gz VCKNWDFDYSHDAV-HKUYNNGSSA-N 2 1 366.550 2.073 20 30 FEEDMP COc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1OCCCC#N ZINC000263887804 549951626 /nfs/dbraw/zinc/95/16/26/549951626.db2.gz KBPKMOKDVLGWQU-UHFFFAOYSA-N 2 1 361.486 2.314 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(F)cc2)n1 ZINC000264330161 549994497 /nfs/dbraw/zinc/99/44/97/549994497.db2.gz ZYORGYQSHUEVPF-KRWDZBQOSA-N 2 1 359.449 2.412 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272793761 550471027 /nfs/dbraw/zinc/47/10/27/550471027.db2.gz ABMUAAUJZAWETO-VAMGGRTRSA-N 2 1 362.539 2.478 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272793761 550471029 /nfs/dbraw/zinc/47/10/29/550471029.db2.gz ABMUAAUJZAWETO-VAMGGRTRSA-N 2 1 362.539 2.478 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000276243928 550577626 /nfs/dbraw/zinc/57/76/26/550577626.db2.gz OPYNXHFSKHAKFG-QYZOEREBSA-N 2 1 351.535 2.302 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000276243928 550577627 /nfs/dbraw/zinc/57/76/27/550577627.db2.gz OPYNXHFSKHAKFG-QYZOEREBSA-N 2 1 351.535 2.302 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)CC1 ZINC000494963406 561480032 /nfs/dbraw/zinc/48/00/32/561480032.db2.gz IHCBGUUMTHWLRD-UHFFFAOYSA-N 2 1 350.429 2.210 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048490 551173724 /nfs/dbraw/zinc/17/37/24/551173724.db2.gz LWOKYWQXINSTFN-UZLBHIALSA-N 2 1 357.502 2.453 20 30 FEEDMP C[N@H+]1CCCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821822 /nfs/dbraw/zinc/82/18/22/553821822.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 2 1 361.490 2.022 20 30 FEEDMP C[N@@H+]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821823 /nfs/dbraw/zinc/82/18/23/553821823.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 2 1 361.490 2.022 20 30 FEEDMP C[N@H+]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821824 /nfs/dbraw/zinc/82/18/24/553821824.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 2 1 361.490 2.022 20 30 FEEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000329734923 553997229 /nfs/dbraw/zinc/99/72/29/553997229.db2.gz RRYCDIBSNODLFW-QGZVFWFLSA-N 2 1 364.534 2.150 20 30 FEEDMP C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3cscn3)CC2)CC[N@H+]1C ZINC000329799745 554007855 /nfs/dbraw/zinc/00/78/55/554007855.db2.gz HSRRNLKMXYGQII-HUUCEWRRSA-N 2 1 351.520 2.048 20 30 FEEDMP CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363322541 555078215 /nfs/dbraw/zinc/07/82/15/555078215.db2.gz IPFWDDAWEKJRIC-FQEVSTJZSA-N 2 1 367.497 2.096 20 30 FEEDMP C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365503083 555592728 /nfs/dbraw/zinc/59/27/28/555592728.db2.gz DIFJBUNZOVWSJJ-WOJBJXKFSA-N 2 1 363.546 2.280 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000370197008 556808269 /nfs/dbraw/zinc/80/82/69/556808269.db2.gz HOMTUZOSTPOFSS-OAQYLSRUSA-N 2 1 353.510 2.155 20 30 FEEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1 ZINC000374298322 557861053 /nfs/dbraw/zinc/86/10/53/557861053.db2.gz VSGCWGIOGMAKOC-LJQANCHMSA-N 2 1 366.509 2.371 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282560 561022925 /nfs/dbraw/zinc/02/29/25/561022925.db2.gz FTSARYSNAMXOCB-FUHWJXTLSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282560 561022926 /nfs/dbraw/zinc/02/29/26/561022926.db2.gz FTSARYSNAMXOCB-FUHWJXTLSA-N 2 1 358.486 2.318 20 30 FEEDMP C[NH+]=C(NCc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083093820 670654207 /nfs/dbraw/zinc/65/42/07/670654207.db2.gz QFTQAPFDZUPCRY-CYBMUJFWSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]=C(NCc1cc(F)ccc1Br)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083093820 670654209 /nfs/dbraw/zinc/65/42/09/670654209.db2.gz QFTQAPFDZUPCRY-CYBMUJFWSA-N 2 1 369.282 2.490 20 30 FEEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000176967025 672378271 /nfs/dbraw/zinc/37/82/71/672378271.db2.gz LBTOUNOHXOYWSX-ZDUSSCGKSA-N 2 1 356.392 2.474 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)Nc1cccc(Cl)c1C ZINC000303987294 673019638 /nfs/dbraw/zinc/01/96/38/673019638.db2.gz VHFSLPOJCZKBNM-AWEZNQCLSA-N 2 1 365.909 2.366 20 30 FEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661118437 678437312 /nfs/dbraw/zinc/43/73/12/678437312.db2.gz DVNIZHUBITUDIP-CEXWTWQISA-N 2 1 351.535 2.184 20 30 FEEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135156 680462060 /nfs/dbraw/zinc/46/20/60/680462060.db2.gz DWEDQNVYRRLPNT-BPQIPLTHSA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135156 680462061 /nfs/dbraw/zinc/46/20/61/680462061.db2.gz DWEDQNVYRRLPNT-BPQIPLTHSA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135156 680462063 /nfs/dbraw/zinc/46/20/63/680462063.db2.gz DWEDQNVYRRLPNT-BPQIPLTHSA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135156 680462064 /nfs/dbraw/zinc/46/20/64/680462064.db2.gz DWEDQNVYRRLPNT-BPQIPLTHSA-N 2 1 369.937 2.019 20 30 FEEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000767378075 680909599 /nfs/dbraw/zinc/90/95/99/680909599.db2.gz MDZARAXVLOXNOT-MRXNPFEDSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@H+](Cc2ccccc2)C1 ZINC000767378075 680909600 /nfs/dbraw/zinc/90/96/00/680909600.db2.gz MDZARAXVLOXNOT-MRXNPFEDSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001052393811 681076737 /nfs/dbraw/zinc/07/67/37/681076737.db2.gz RDWCMBQQDUEVHG-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC001052393811 681076741 /nfs/dbraw/zinc/07/67/41/681076741.db2.gz RDWCMBQQDUEVHG-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC001052393811 681076743 /nfs/dbraw/zinc/07/67/43/681076743.db2.gz RDWCMBQQDUEVHG-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000845601531 681140556 /nfs/dbraw/zinc/14/05/56/681140556.db2.gz QLSVQZJCLZZKTL-ZWKOTPCHSA-N 2 1 352.523 2.473 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080572482 542595245 /nfs/dbraw/zinc/59/52/45/542595245.db2.gz YRNKDDGTBAJJJL-PMACEKPBSA-N 2 1 354.498 2.323 20 30 FEEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000377942533 330254316 /nfs/dbraw/zinc/25/43/16/330254316.db2.gz JGNVYLDLEIXPCC-UHFFFAOYSA-N 2 1 354.498 2.484 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000261982898 549777120 /nfs/dbraw/zinc/77/71/20/549777120.db2.gz JKRAPBBEKGGXIT-QGZVFWFLSA-N 2 1 361.486 2.080 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCC2)c1 ZINC000264112133 549980542 /nfs/dbraw/zinc/98/05/42/549980542.db2.gz PEBGBXNVOGOGIK-SFHVURJKSA-N 2 1 357.502 2.314 20 30 FEEDMP CN(C)C(=[NH+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)N(C)C ZINC000264275583 549993807 /nfs/dbraw/zinc/99/38/07/549993807.db2.gz MTFRGIQNRVRUJS-UHFFFAOYSA-N 2 1 362.518 2.155 20 30 FEEDMP CN(C(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC1 ZINC000273327819 550494764 /nfs/dbraw/zinc/49/47/64/550494764.db2.gz INPXCEWXSWKALZ-UHFFFAOYSA-N 2 1 360.502 2.085 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000277402005 550666062 /nfs/dbraw/zinc/66/60/62/550666062.db2.gz FOVNMEJUCCKAER-FQEVSTJZSA-N 2 1 371.550 2.065 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277402005 550666064 /nfs/dbraw/zinc/66/60/64/550666064.db2.gz FOVNMEJUCCKAER-FQEVSTJZSA-N 2 1 371.550 2.065 20 30 FEEDMP O=C(C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329020898 553865931 /nfs/dbraw/zinc/86/59/31/553865931.db2.gz HTMRXYDQHXXZSK-CQSZACIVSA-N 2 1 359.474 2.320 20 30 FEEDMP O=C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329020898 553865934 /nfs/dbraw/zinc/86/59/34/553865934.db2.gz HTMRXYDQHXXZSK-CQSZACIVSA-N 2 1 359.474 2.320 20 30 FEEDMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000329781432 554004976 /nfs/dbraw/zinc/00/49/76/554004976.db2.gz NHCWJBCNCLOQHZ-PNYFIKQUSA-N 2 1 374.529 2.123 20 30 FEEDMP CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000330324180 554105371 /nfs/dbraw/zinc/10/53/71/554105371.db2.gz IGEYYWCDNQHDNG-FHWLQOOXSA-N 2 1 359.518 2.405 20 30 FEEDMP CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000330324180 554105373 /nfs/dbraw/zinc/10/53/73/554105373.db2.gz IGEYYWCDNQHDNG-FHWLQOOXSA-N 2 1 359.518 2.405 20 30 FEEDMP CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000330324180 554105375 /nfs/dbraw/zinc/10/53/75/554105375.db2.gz IGEYYWCDNQHDNG-FHWLQOOXSA-N 2 1 359.518 2.405 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CC[N@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000333047618 554564009 /nfs/dbraw/zinc/56/40/09/554564009.db2.gz KSALMUADTRWUDU-AHCXZYCDSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000333047618 554564011 /nfs/dbraw/zinc/56/40/11/554564011.db2.gz KSALMUADTRWUDU-AHCXZYCDSA-N 2 1 356.518 2.742 20 30 FEEDMP N#CCCn1cc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719979 554983759 /nfs/dbraw/zinc/98/37/59/554983759.db2.gz QSEXEWYMBLTIPS-UXHICEINSA-N 2 1 365.481 2.417 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719979 554983760 /nfs/dbraw/zinc/98/37/60/554983760.db2.gz QSEXEWYMBLTIPS-UXHICEINSA-N 2 1 365.481 2.417 20 30 FEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000363853017 555199564 /nfs/dbraw/zinc/19/95/64/555199564.db2.gz PFQZUFUXZFRROS-FQEVSTJZSA-N 2 1 356.514 2.427 20 30 FEEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000364330444 555292379 /nfs/dbraw/zinc/29/23/79/555292379.db2.gz VOWTXMDHLXGNJF-UHFFFAOYSA-N 2 1 370.541 2.328 20 30 FEEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000364330444 555292380 /nfs/dbraw/zinc/29/23/80/555292380.db2.gz VOWTXMDHLXGNJF-UHFFFAOYSA-N 2 1 370.541 2.328 20 30 FEEDMP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000372671969 557534233 /nfs/dbraw/zinc/53/42/33/557534233.db2.gz FTOYBWKXHLVVQP-SFTDATJTSA-N 2 1 350.466 2.361 20 30 FEEDMP C(#CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000375473796 558033612 /nfs/dbraw/zinc/03/36/12/558033612.db2.gz OMWDKPVUBJINMF-ROUUACIJSA-N 2 1 352.486 2.195 20 30 FEEDMP C(#CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000375473796 558033614 /nfs/dbraw/zinc/03/36/14/558033614.db2.gz OMWDKPVUBJINMF-ROUUACIJSA-N 2 1 352.486 2.195 20 30 FEEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377766672 558415380 /nfs/dbraw/zinc/41/53/80/558415380.db2.gz LEKQGMLWXYUITK-UXHICEINSA-N 2 1 354.498 2.202 20 30 FEEDMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440817184 560018908 /nfs/dbraw/zinc/01/89/08/560018908.db2.gz PBLSLGFZTUTCDZ-OAQYLSRUSA-N 2 1 351.450 2.293 20 30 FEEDMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440817184 560018909 /nfs/dbraw/zinc/01/89/09/560018909.db2.gz PBLSLGFZTUTCDZ-OAQYLSRUSA-N 2 1 351.450 2.293 20 30 FEEDMP C[NH+]=C(NCc1cc(F)ccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083093821 670654244 /nfs/dbraw/zinc/65/42/44/670654244.db2.gz QFTQAPFDZUPCRY-ZDUSSCGKSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]=C(NCc1cc(F)ccc1Br)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083093821 670654246 /nfs/dbraw/zinc/65/42/46/670654246.db2.gz QFTQAPFDZUPCRY-ZDUSSCGKSA-N 2 1 369.282 2.490 20 30 FEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCSCC3)CC2)CC1 ZINC000574461820 671243382 /nfs/dbraw/zinc/24/33/82/671243382.db2.gz AWJKDOAXEBPISU-UHFFFAOYSA-N 2 1 364.559 2.088 20 30 FEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261930808 672905486 /nfs/dbraw/zinc/90/54/86/672905486.db2.gz BHXNOUGMELSVOF-FUHIMQAGSA-N 2 1 350.551 2.431 20 30 FEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1cc(Cl)cn1C ZINC000261950230 672905847 /nfs/dbraw/zinc/90/58/47/672905847.db2.gz HEWHVWBILFYJFZ-INIZCTEOSA-N 2 1 357.955 2.123 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N1CCC(O)CC1 ZINC000262355634 672913840 /nfs/dbraw/zinc/91/38/40/672913840.db2.gz FUOZMBQOZYQJEM-WMLDXEAASA-N 2 1 350.532 2.163 20 30 FEEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999207203 680398928 /nfs/dbraw/zinc/39/89/28/680398928.db2.gz KQIOOLYIWPYVIW-QLFBSQMISA-N 2 1 358.324 2.206 20 30 FEEDMP C=C[C@H](C)ONC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000845628795 681141970 /nfs/dbraw/zinc/14/19/70/681141970.db2.gz FOUKFYBVGKPHAM-INIZCTEOSA-N 2 1 352.523 2.330 20 30 FEEDMP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2Cl)CC1 ZINC000848414894 681536626 /nfs/dbraw/zinc/53/66/26/681536626.db2.gz FOMNURDBAAHHAZ-MRXNPFEDSA-N 2 1 363.893 2.442 20 30 FEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000895666969 689751703 /nfs/dbraw/zinc/75/17/03/689751703.db2.gz USQQFYZIFSVIRB-AWEZNQCLSA-N 2 1 351.520 2.033 20 30 FEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000895666969 689751706 /nfs/dbraw/zinc/75/17/06/689751706.db2.gz USQQFYZIFSVIRB-AWEZNQCLSA-N 2 1 351.520 2.033 20 30 FEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081613817 542668455 /nfs/dbraw/zinc/66/84/55/542668455.db2.gz QURVZBMYMAIAER-WOJBJXKFSA-N 2 1 354.498 2.323 20 30 FEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1 ZINC000093133173 542911289 /nfs/dbraw/zinc/91/12/89/542911289.db2.gz GZBLVIURDMLAQO-NRFANRHFSA-N 2 1 355.530 2.248 20 30 FEEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000152296674 544635291 /nfs/dbraw/zinc/63/52/91/544635291.db2.gz ACWRVIFLPSRTPF-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000152296674 544635296 /nfs/dbraw/zinc/63/52/96/544635296.db2.gz ACWRVIFLPSRTPF-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928347 545584610 /nfs/dbraw/zinc/58/46/10/545584610.db2.gz NRJRRZONLOXIJR-OPYAIIAOSA-N 2 1 356.514 2.082 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000171737695 546223442 /nfs/dbraw/zinc/22/34/42/546223442.db2.gz BGUGOCZGJQCVAS-UHFFFAOYSA-N 2 1 372.513 2.333 20 30 FEEDMP C=CC[NH+]1CCC(NCc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000236661534 548771431 /nfs/dbraw/zinc/77/14/31/548771431.db2.gz DVPGZDLEWDCLIB-UHFFFAOYSA-N 2 1 357.498 2.428 20 30 FEEDMP C[NH+]=C(NCc1c(C)noc1C)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000261957503 549773418 /nfs/dbraw/zinc/77/34/18/549773418.db2.gz OVYAUCGGIOZPHM-UHFFFAOYSA-N 2 1 355.486 2.056 20 30 FEEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261965017 549774272 /nfs/dbraw/zinc/77/42/72/549774272.db2.gz LETLMJQWLWXMMB-FUHWJXTLSA-N 2 1 373.545 2.090 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000264104408 549979602 /nfs/dbraw/zinc/97/96/02/549979602.db2.gz PBZZJZVZPBXMOZ-SFHVURJKSA-N 2 1 374.529 2.132 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000277326508 550656875 /nfs/dbraw/zinc/65/68/75/550656875.db2.gz VJGKSHIKEHXGMF-SFHVURJKSA-N 2 1 356.470 2.469 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000277326508 550656876 /nfs/dbraw/zinc/65/68/76/550656876.db2.gz VJGKSHIKEHXGMF-SFHVURJKSA-N 2 1 356.470 2.469 20 30 FEEDMP CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048485 551173623 /nfs/dbraw/zinc/17/36/23/551173623.db2.gz LWOKYWQXINSTFN-OXJNMPFZSA-N 2 1 357.502 2.453 20 30 FEEDMP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1=O ZINC000329200695 553901135 /nfs/dbraw/zinc/90/11/35/553901135.db2.gz WJFBPCDLNGUUES-ROUUACIJSA-N 2 1 362.518 2.045 20 30 FEEDMP Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC[N@@H+](C)CC3)CC2)oc1C ZINC000329454681 553950207 /nfs/dbraw/zinc/95/02/07/553950207.db2.gz NZIHKJYVFBITCF-UHFFFAOYSA-N 2 1 363.506 2.055 20 30 FEEDMP Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC[N@H+](C)CC3)CC2)oc1C ZINC000329454681 553950209 /nfs/dbraw/zinc/95/02/09/553950209.db2.gz NZIHKJYVFBITCF-UHFFFAOYSA-N 2 1 363.506 2.055 20 30 FEEDMP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329517978 553961036 /nfs/dbraw/zinc/96/10/36/553961036.db2.gz NJAAOGSYZMOUQY-SQNIBIBYSA-N 2 1 359.518 2.279 20 30 FEEDMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329517978 553961037 /nfs/dbraw/zinc/96/10/37/553961037.db2.gz NJAAOGSYZMOUQY-SQNIBIBYSA-N 2 1 359.518 2.279 20 30 FEEDMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329517978 553961040 /nfs/dbraw/zinc/96/10/40/553961040.db2.gz NJAAOGSYZMOUQY-SQNIBIBYSA-N 2 1 359.518 2.279 20 30 FEEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329992967 554045705 /nfs/dbraw/zinc/04/57/05/554045705.db2.gz YBAOEFLFHAPODG-IRXDYDNUSA-N 2 1 372.513 2.464 20 30 FEEDMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nc(C)n1 ZINC000330199625 554083738 /nfs/dbraw/zinc/08/37/38/554083738.db2.gz VREHNNFISZFDOM-WMLDXEAASA-N 2 1 360.506 2.049 20 30 FEEDMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000330199625 554083742 /nfs/dbraw/zinc/08/37/42/554083742.db2.gz VREHNNFISZFDOM-WMLDXEAASA-N 2 1 360.506 2.049 20 30 FEEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452844 555109193 /nfs/dbraw/zinc/10/91/93/555109193.db2.gz MSSNFAIWBYQDCP-UHFFFAOYSA-N 2 1 370.497 2.462 20 30 FEEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccccc1 ZINC000367483400 556062847 /nfs/dbraw/zinc/06/28/47/556062847.db2.gz MCDHDTGIQWQHHB-TZIWHRDSSA-N 2 1 367.497 2.315 20 30 FEEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccccc1 ZINC000367483400 556062849 /nfs/dbraw/zinc/06/28/49/556062849.db2.gz MCDHDTGIQWQHHB-TZIWHRDSSA-N 2 1 367.497 2.315 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000368050183 556204699 /nfs/dbraw/zinc/20/46/99/556204699.db2.gz DEHNLCVKKYLXGG-UYAOXDASSA-N 2 1 356.514 2.437 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000368692501 556386495 /nfs/dbraw/zinc/38/64/95/556386495.db2.gz NRYWHVXCPREEND-SFHVURJKSA-N 2 1 351.454 2.223 20 30 FEEDMP C=CCN(C(=O)NCCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368925032 556449802 /nfs/dbraw/zinc/44/98/02/556449802.db2.gz PPYQCUZJPVHCPK-LJQANCHMSA-N 2 1 353.470 2.355 20 30 FEEDMP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778987 557930058 /nfs/dbraw/zinc/93/00/58/557930058.db2.gz KBPOVMDUFNXWCE-HXUWFJFHSA-N 2 1 355.486 2.038 20 30 FEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C(C)C ZINC000417061772 559346341 /nfs/dbraw/zinc/34/63/41/559346341.db2.gz LGORUGZVHYRSFZ-WOJBJXKFSA-N 2 1 371.529 2.436 20 30 FEEDMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Br ZINC000424178280 559656757 /nfs/dbraw/zinc/65/67/57/559656757.db2.gz WKSLKTLZVDGBGS-AWEZNQCLSA-N 2 1 353.264 2.470 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[NH+](C)[C@@H]3C)n2)CCC[N@H+]1C ZINC000436354609 559940495 /nfs/dbraw/zinc/94/04/95/559940495.db2.gz CBPGUBDJAMBLQO-AHCXZYCDSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@H+](C)[C@@H]3C)n2)CCC[NH+]1C ZINC000436354609 559940496 /nfs/dbraw/zinc/94/04/96/559940496.db2.gz CBPGUBDJAMBLQO-AHCXZYCDSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@@H+](C)[C@@H]3C)n2)CCC[NH+]1C ZINC000436354609 559940497 /nfs/dbraw/zinc/94/04/97/559940497.db2.gz CBPGUBDJAMBLQO-AHCXZYCDSA-N 2 1 356.518 2.742 20 30 FEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000442717988 560055117 /nfs/dbraw/zinc/05/51/17/560055117.db2.gz PMPRJTGVCITJKM-AEFFLSMTSA-N 2 1 356.470 2.129 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000472289841 561023422 /nfs/dbraw/zinc/02/34/22/561023422.db2.gz AERGOEQRXCHIES-GOSISDBHSA-N 2 1 364.534 2.104 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000472289841 561023423 /nfs/dbraw/zinc/02/34/23/561023423.db2.gz AERGOEQRXCHIES-GOSISDBHSA-N 2 1 364.534 2.104 20 30 FEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000574313280 671225768 /nfs/dbraw/zinc/22/57/68/671225768.db2.gz SCZMZOSNSSJPGO-INIZCTEOSA-N 2 1 369.303 2.429 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1OC ZINC000303989629 673019495 /nfs/dbraw/zinc/01/94/95/673019495.db2.gz XSMLCKGLAHPNOU-CQSZACIVSA-N 2 1 369.307 2.346 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001029742523 680390861 /nfs/dbraw/zinc/39/08/61/680390861.db2.gz VTTDGKAAFWDYOR-IIDMSEBBSA-N 2 1 360.527 2.240 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001029742523 680390865 /nfs/dbraw/zinc/39/08/65/680390865.db2.gz VTTDGKAAFWDYOR-IIDMSEBBSA-N 2 1 360.527 2.240 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001029742523 680390871 /nfs/dbraw/zinc/39/08/71/680390871.db2.gz VTTDGKAAFWDYOR-IIDMSEBBSA-N 2 1 360.527 2.240 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876781418 686267513 /nfs/dbraw/zinc/26/75/13/686267513.db2.gz LAAWVJDSRCWVSK-OKZBNKHCSA-N 2 1 365.905 2.252 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876781418 686267519 /nfs/dbraw/zinc/26/75/19/686267519.db2.gz LAAWVJDSRCWVSK-OKZBNKHCSA-N 2 1 365.905 2.252 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000106265726 543221412 /nfs/dbraw/zinc/22/14/12/543221412.db2.gz JBHYVQNDBQPFCJ-UHFFFAOYSA-N 2 1 362.543 2.446 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000106265726 543221416 /nfs/dbraw/zinc/22/14/16/543221416.db2.gz JBHYVQNDBQPFCJ-UHFFFAOYSA-N 2 1 362.543 2.446 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134876380 544324338 /nfs/dbraw/zinc/32/43/38/544324338.db2.gz IWOAARHBKFMFDJ-SLYNCCJLSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134876380 544324340 /nfs/dbraw/zinc/32/43/40/544324340.db2.gz IWOAARHBKFMFDJ-SLYNCCJLSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134876380 544324341 /nfs/dbraw/zinc/32/43/41/544324341.db2.gz IWOAARHBKFMFDJ-SLYNCCJLSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000171671611 327153991 /nfs/dbraw/zinc/15/39/91/327153991.db2.gz AGZXUHRPLNKYFJ-FQEVSTJZSA-N 2 1 352.482 2.471 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000175386995 546309285 /nfs/dbraw/zinc/30/92/85/546309285.db2.gz YSRXGEAEUHUCSB-HXUWFJFHSA-N 2 1 369.513 2.260 20 30 FEEDMP C=CCN(CCOC)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000191121748 548340415 /nfs/dbraw/zinc/34/04/15/548340415.db2.gz KLLUXZLTCCCYID-UHFFFAOYSA-N 2 1 363.527 2.308 20 30 FEEDMP C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000261950789 549773698 /nfs/dbraw/zinc/77/36/98/549773698.db2.gz NYNCDFHPBUXHTD-XHDPSFHLSA-N 2 1 359.301 2.144 20 30 FEEDMP C[C@@H](NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000267446784 550031584 /nfs/dbraw/zinc/03/15/84/550031584.db2.gz QHDKJYRPZYUASP-YPMHNXCESA-N 2 1 358.317 2.205 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000273323175 550494427 /nfs/dbraw/zinc/49/44/27/550494427.db2.gz GTTBKPXBYFIJQO-MRXNPFEDSA-N 2 1 374.464 2.197 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000274838556 550558506 /nfs/dbraw/zinc/55/85/06/550558506.db2.gz NWUDVWGYZKWGMH-OZOXKJRCSA-N 2 1 354.498 2.295 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000274838556 550558507 /nfs/dbraw/zinc/55/85/07/550558507.db2.gz NWUDVWGYZKWGMH-OZOXKJRCSA-N 2 1 354.498 2.295 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283890873 551445029 /nfs/dbraw/zinc/44/50/29/551445029.db2.gz HLBXYUSWFHGQGJ-SFHVURJKSA-N 3 1 373.545 2.048 20 30 FEEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289369048 552308730 /nfs/dbraw/zinc/30/87/30/552308730.db2.gz IDSFLMCLWVMYCI-LJQANCHMSA-N 2 1 373.545 2.137 20 30 FEEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502505919 561620025 /nfs/dbraw/zinc/62/00/25/561620025.db2.gz HUGVKFRMLXGIDH-UHFFFAOYSA-N 2 1 352.482 2.248 20 30 FEEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502505919 561620026 /nfs/dbraw/zinc/62/00/26/561620026.db2.gz HUGVKFRMLXGIDH-UHFFFAOYSA-N 2 1 352.482 2.248 20 30 FEEDMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618208 554975953 /nfs/dbraw/zinc/97/59/53/554975953.db2.gz WYQOMWDITWQBCJ-UYAOXDASSA-N 2 1 369.509 2.494 20 30 FEEDMP C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703290 554981807 /nfs/dbraw/zinc/98/18/07/554981807.db2.gz PYRIJDXNMAHCTJ-NQIIRXRSSA-N 2 1 356.514 2.285 20 30 FEEDMP C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703288 554981957 /nfs/dbraw/zinc/98/19/57/554981957.db2.gz PYRIJDXNMAHCTJ-GHTZIAJQSA-N 2 1 356.514 2.285 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)CC1 ZINC000363816380 555192310 /nfs/dbraw/zinc/19/23/10/555192310.db2.gz HKYPTDUWZOZGSG-GOSISDBHSA-N 2 1 354.498 2.210 20 30 FEEDMP C=CCOCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367867053 556159194 /nfs/dbraw/zinc/15/91/94/556159194.db2.gz AEUOKRAJKVIIGM-UHFFFAOYSA-N 2 1 366.550 2.027 20 30 FEEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368417937 556303218 /nfs/dbraw/zinc/30/32/18/556303218.db2.gz VFYAHFORLTUCHT-YTQUADARSA-N 2 1 373.497 2.425 20 30 FEEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1 ZINC000374284491 557858028 /nfs/dbraw/zinc/85/80/28/557858028.db2.gz AAZMRCIFUQLBLB-IBGZPJMESA-N 2 1 366.509 2.371 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000418707339 559411824 /nfs/dbraw/zinc/41/18/24/559411824.db2.gz BNWJLNYFHVJBBS-VQTJNVASSA-N 2 1 369.513 2.293 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000441250366 560027254 /nfs/dbraw/zinc/02/72/54/560027254.db2.gz QIQXFDWTIHSMKZ-CEXWTWQISA-N 2 1 356.470 2.070 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000449508296 560232131 /nfs/dbraw/zinc/23/21/31/560232131.db2.gz UYFJMFSAUPIJOW-QGZVFWFLSA-N 2 1 360.527 2.386 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265762 561022365 /nfs/dbraw/zinc/02/23/65/561022365.db2.gz YYRCVCVDAZOFSA-LPHOPBHVSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265762 561022366 /nfs/dbraw/zinc/02/23/66/561022366.db2.gz YYRCVCVDAZOFSA-LPHOPBHVSA-N 2 1 358.486 2.318 20 30 FEEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262456650 672916519 /nfs/dbraw/zinc/91/65/19/672916519.db2.gz HVZSTACPBAFTJB-GFCCVEGCSA-N 2 1 353.348 2.201 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1Cl ZINC000303986172 673019785 /nfs/dbraw/zinc/01/97/85/673019785.db2.gz UIISPIWXPANIFS-UHFFFAOYSA-N 2 1 353.898 2.103 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000303986172 673019786 /nfs/dbraw/zinc/01/97/86/673019786.db2.gz UIISPIWXPANIFS-UHFFFAOYSA-N 2 1 353.898 2.103 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000303986172 673019787 /nfs/dbraw/zinc/01/97/87/673019787.db2.gz UIISPIWXPANIFS-UHFFFAOYSA-N 2 1 353.898 2.103 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000840756413 680841178 /nfs/dbraw/zinc/84/11/78/680841178.db2.gz AQRLMJSBPKBSRM-UHFFFAOYSA-N 2 1 358.555 2.070 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001014475087 680038478 /nfs/dbraw/zinc/03/84/78/680038478.db2.gz KQVYRQIRVUYVQH-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001014475087 680038484 /nfs/dbraw/zinc/03/84/84/680038484.db2.gz KQVYRQIRVUYVQH-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001014475087 680038488 /nfs/dbraw/zinc/03/84/88/680038488.db2.gz KQVYRQIRVUYVQH-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001014475087 680038493 /nfs/dbraw/zinc/03/84/93/680038493.db2.gz KQVYRQIRVUYVQH-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998046863 680373406 /nfs/dbraw/zinc/37/34/06/680373406.db2.gz PFDGTFFQCUGVKT-CEXWTWQISA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998046863 680373408 /nfs/dbraw/zinc/37/34/08/680373408.db2.gz PFDGTFFQCUGVKT-CEXWTWQISA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998046863 680373413 /nfs/dbraw/zinc/37/34/13/680373413.db2.gz PFDGTFFQCUGVKT-CEXWTWQISA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998046863 680373417 /nfs/dbraw/zinc/37/34/17/680373417.db2.gz PFDGTFFQCUGVKT-CEXWTWQISA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551029471 674121040 /nfs/dbraw/zinc/12/10/40/674121040.db2.gz FSNFYWQOULKNKG-LJQANCHMSA-N 2 1 363.527 2.342 20 30 FEEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)n2c1 ZINC000136598647 326653667 /nfs/dbraw/zinc/65/36/67/326653667.db2.gz RIHMODCAWMDXAM-MOPGFXCFSA-N 2 1 353.470 2.063 20 30 FEEDMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000268170399 329393094 /nfs/dbraw/zinc/39/30/94/329393094.db2.gz QMKZAXZEYAZGLK-JXFKEZNVSA-N 2 1 369.513 2.114 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158868442 545901607 /nfs/dbraw/zinc/90/16/07/545901607.db2.gz FLSJFAHDOGXALV-IRXDYDNUSA-N 2 1 364.534 2.363 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](CCC)C2)CC1 ZINC000161763053 546134134 /nfs/dbraw/zinc/13/41/34/546134134.db2.gz TWRJRKGKRLEQAU-IBGZPJMESA-N 2 1 366.550 2.169 20 30 FEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)C(C)C ZINC000264918127 550003679 /nfs/dbraw/zinc/00/36/79/550003679.db2.gz PCITYZCRTKXJDV-LJQANCHMSA-N 2 1 351.535 2.304 20 30 FEEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271077424 550337959 /nfs/dbraw/zinc/33/79/59/550337959.db2.gz OZRUZWBNFYLTKV-UHFFFAOYSA-N 2 1 354.498 2.144 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(CCOCc2ccccc2)CC1 ZINC000274493242 550540315 /nfs/dbraw/zinc/54/03/15/550540315.db2.gz IWQVAXXCSDKZIZ-UHFFFAOYSA-N 2 1 374.529 2.000 20 30 FEEDMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286277406 551868836 /nfs/dbraw/zinc/86/88/36/551868836.db2.gz VOTPSVQRRMGJSS-UHFFFAOYSA-N 2 1 355.530 2.144 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000364711912 555382452 /nfs/dbraw/zinc/38/24/52/555382452.db2.gz CPUNHXJFXWCHGC-ICSRJNTNSA-N 2 1 371.529 2.414 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695703 556942546 /nfs/dbraw/zinc/94/25/46/556942546.db2.gz CKRJLLVLAFXEOZ-DENIHFKCSA-N 2 1 369.557 2.494 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000370942580 557023868 /nfs/dbraw/zinc/02/38/68/557023868.db2.gz QRZKFWFTDSDJTI-KXBFYZLASA-N 2 1 374.554 2.123 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000374431858 557883225 /nfs/dbraw/zinc/88/32/25/557883225.db2.gz ZASBXFDSJYZPDE-NZSAHSFTSA-N 2 1 356.470 2.070 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834610 557938026 /nfs/dbraw/zinc/93/80/26/557938026.db2.gz AYVXNIWKBZVQDD-QGZVFWFLSA-N 2 1 357.502 2.238 20 30 FEEDMP C=CCc1cc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1O ZINC000378357232 558537747 /nfs/dbraw/zinc/53/77/47/558537747.db2.gz VIDZGUNZZZCOFR-IBGZPJMESA-N 2 1 359.514 2.341 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#N)n1C ZINC000450058126 560249344 /nfs/dbraw/zinc/24/93/44/560249344.db2.gz HBHNVZCCEKDRKQ-UHFFFAOYSA-N 2 1 371.529 2.165 20 30 FEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000451678540 560321538 /nfs/dbraw/zinc/32/15/38/560321538.db2.gz INTZVQLNQNOASI-RLLQIKCJSA-N 2 1 357.498 2.215 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265763 561022386 /nfs/dbraw/zinc/02/23/86/561022386.db2.gz YYRCVCVDAZOFSA-QFBILLFUSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000472265763 561022387 /nfs/dbraw/zinc/02/23/87/561022387.db2.gz YYRCVCVDAZOFSA-QFBILLFUSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284155 561023148 /nfs/dbraw/zinc/02/31/48/561023148.db2.gz KSFVPMXVDJSMIK-MSOLQXFVSA-N 2 1 364.534 2.150 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284155 561023149 /nfs/dbraw/zinc/02/31/49/561023149.db2.gz KSFVPMXVDJSMIK-MSOLQXFVSA-N 2 1 364.534 2.150 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000601968586 567889941 /nfs/dbraw/zinc/88/99/41/567889941.db2.gz OVGPMKKISSOSBZ-HMXCVIKNSA-N 2 1 371.525 2.415 20 30 FEEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000328660175 673064418 /nfs/dbraw/zinc/06/44/18/673064418.db2.gz UXQRFJMVQAPTTC-YYIAUSFCSA-N 2 1 352.523 2.005 20 30 FEEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000328660175 673064420 /nfs/dbraw/zinc/06/44/20/673064420.db2.gz UXQRFJMVQAPTTC-YYIAUSFCSA-N 2 1 352.523 2.005 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000328660175 673064424 /nfs/dbraw/zinc/06/44/24/673064424.db2.gz UXQRFJMVQAPTTC-YYIAUSFCSA-N 2 1 352.523 2.005 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000328660175 673064427 /nfs/dbraw/zinc/06/44/27/673064427.db2.gz UXQRFJMVQAPTTC-YYIAUSFCSA-N 2 1 352.523 2.005 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734365415 673461201 /nfs/dbraw/zinc/46/12/01/673461201.db2.gz ZPFJEEQRYWDHOG-MRXNPFEDSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001024447066 680290125 /nfs/dbraw/zinc/29/01/25/680290125.db2.gz PVQSYNJPSLPWNQ-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001024447066 680290127 /nfs/dbraw/zinc/29/01/27/680290127.db2.gz PVQSYNJPSLPWNQ-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001024447066 680290130 /nfs/dbraw/zinc/29/01/30/680290130.db2.gz PVQSYNJPSLPWNQ-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001024447066 680290134 /nfs/dbraw/zinc/29/01/34/680290134.db2.gz PVQSYNJPSLPWNQ-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999207246 680398985 /nfs/dbraw/zinc/39/89/85/680398985.db2.gz KQIOOLYIWPYVIW-SOUVJXGZSA-N 2 1 358.324 2.206 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001034213921 680431139 /nfs/dbraw/zinc/43/11/39/680431139.db2.gz DSXRTZWXZSXPBN-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001034213921 680431141 /nfs/dbraw/zinc/43/11/41/680431141.db2.gz DSXRTZWXZSXPBN-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001034213921 680431142 /nfs/dbraw/zinc/43/11/42/680431142.db2.gz DSXRTZWXZSXPBN-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001034213921 680431145 /nfs/dbraw/zinc/43/11/45/680431145.db2.gz DSXRTZWXZSXPBN-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000836489384 680476127 /nfs/dbraw/zinc/47/61/27/680476127.db2.gz YWLIBFXLSBIUMH-FUHWJXTLSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000836489384 680476128 /nfs/dbraw/zinc/47/61/28/680476128.db2.gz YWLIBFXLSBIUMH-FUHWJXTLSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000836489384 680476133 /nfs/dbraw/zinc/47/61/33/680476133.db2.gz YWLIBFXLSBIUMH-FUHWJXTLSA-N 2 1 362.543 2.385 20 30 FEEDMP Cc1ncsc1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1 ZINC000923336380 684265108 /nfs/dbraw/zinc/26/51/08/684265108.db2.gz KKJSKWKKWMIRIR-FUHWJXTLSA-N 2 1 356.495 2.468 20 30 FEEDMP Cc1ncsc1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1 ZINC000923336380 684265110 /nfs/dbraw/zinc/26/51/10/684265110.db2.gz KKJSKWKKWMIRIR-FUHWJXTLSA-N 2 1 356.495 2.468 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075007500 542144987 /nfs/dbraw/zinc/14/49/87/542144987.db2.gz RKHSJNBHOVLMLI-FXAWDEMLSA-N 2 1 366.550 2.252 20 30 FEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000153916672 544839739 /nfs/dbraw/zinc/83/97/39/544839739.db2.gz RZXDXFGYYRDNGD-RTBURBONSA-N 2 1 356.514 2.427 20 30 FEEDMP CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000263985472 549964134 /nfs/dbraw/zinc/96/41/34/549964134.db2.gz SVVVVRDIXJWJHG-SFHVURJKSA-N 2 1 362.518 2.109 20 30 FEEDMP C=C(C)CNC(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000264283300 549993640 /nfs/dbraw/zinc/99/36/40/549993640.db2.gz OFGOYOGFYYSETM-UHFFFAOYSA-N 2 1 360.502 2.157 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272793754 550471277 /nfs/dbraw/zinc/47/12/77/550471277.db2.gz ABMUAAUJZAWETO-HSALFYBXSA-N 2 1 362.539 2.478 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272793754 550471279 /nfs/dbraw/zinc/47/12/79/550471279.db2.gz ABMUAAUJZAWETO-HSALFYBXSA-N 2 1 362.539 2.478 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000290786198 552537696 /nfs/dbraw/zinc/53/76/96/552537696.db2.gz SKTFTNLWWQQIIZ-UHFFFAOYSA-N 2 1 357.502 2.440 20 30 FEEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701384 552750656 /nfs/dbraw/zinc/75/06/56/552750656.db2.gz CKJZGIGHSBJULD-HXUWFJFHSA-N 2 1 350.470 2.386 20 30 FEEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701384 552750658 /nfs/dbraw/zinc/75/06/58/552750658.db2.gz CKJZGIGHSBJULD-HXUWFJFHSA-N 2 1 350.470 2.386 20 30 FEEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701384 552750660 /nfs/dbraw/zinc/75/06/60/552750660.db2.gz CKJZGIGHSBJULD-HXUWFJFHSA-N 2 1 350.470 2.386 20 30 FEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701384 552750662 /nfs/dbraw/zinc/75/06/62/552750662.db2.gz CKJZGIGHSBJULD-HXUWFJFHSA-N 2 1 350.470 2.386 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000296863015 553222038 /nfs/dbraw/zinc/22/20/38/553222038.db2.gz KQEAJIJUWKWDGJ-QGZVFWFLSA-N 2 1 373.888 2.417 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000505756242 561679371 /nfs/dbraw/zinc/67/93/71/561679371.db2.gz ZIBJKMQRUPCEGL-HKUYNNGSSA-N 2 1 372.513 2.200 20 30 FEEDMP CN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000329284063 553918023 /nfs/dbraw/zinc/91/80/23/553918023.db2.gz FXWQDLPNOKGULD-SFHVURJKSA-N 2 1 371.529 2.171 20 30 FEEDMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000329714564 553994363 /nfs/dbraw/zinc/99/43/63/553994363.db2.gz TVJVNTMESDXKKK-UHFFFAOYSA-N 2 1 364.534 2.150 20 30 FEEDMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330230339 554089231 /nfs/dbraw/zinc/08/92/31/554089231.db2.gz QLWMONLNGJPSDD-OTWHNJEPSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2C#N)CC[NH+]1C ZINC000333047623 554564530 /nfs/dbraw/zinc/56/45/30/554564530.db2.gz KSALMUADTRWUDU-JOCBIADPSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000333047623 554564531 /nfs/dbraw/zinc/56/45/31/554564531.db2.gz KSALMUADTRWUDU-JOCBIADPSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000333047623 554564532 /nfs/dbraw/zinc/56/45/32/554564532.db2.gz KSALMUADTRWUDU-JOCBIADPSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000374602554 557905444 /nfs/dbraw/zinc/90/54/44/557905444.db2.gz IFJHEHSFRJMBJY-SFHVURJKSA-N 2 1 356.514 2.427 20 30 FEEDMP C[C@@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741885 558075710 /nfs/dbraw/zinc/07/57/10/558075710.db2.gz FXQRKRBSVKKFSD-RXVVDRJESA-N 2 1 354.498 2.345 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741889 558075727 /nfs/dbraw/zinc/07/57/27/558075727.db2.gz FXQRKRBSVKKFSD-WIYYLYMNSA-N 2 1 354.498 2.345 20 30 FEEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469850054 560966698 /nfs/dbraw/zinc/96/66/98/560966698.db2.gz GMQNBVVQIODGPG-ICSRJNTNSA-N 2 1 357.498 2.332 20 30 FEEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)sc2C1 ZINC000609144215 675912084 /nfs/dbraw/zinc/91/20/84/675912084.db2.gz BMJGPRULJNAGQP-RDBSUJKOSA-N 2 1 358.511 2.224 20 30 FEEDMP C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262005152 672907558 /nfs/dbraw/zinc/90/75/58/672907558.db2.gz VJYZEACOPUVVNT-MLGOLLRUSA-N 2 1 360.893 2.135 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(C#N)s3)CC2(C)C)CC[N@@H+]1C ZINC000974604059 679962741 /nfs/dbraw/zinc/96/27/41/679962741.db2.gz DLPGZRYRNCIZJS-XYPHTWIQSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(C#N)s3)CC2(C)C)CC[N@H+]1C ZINC000974604059 679962746 /nfs/dbraw/zinc/96/27/46/679962746.db2.gz DLPGZRYRNCIZJS-XYPHTWIQSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC2(C)C)CC[NH+]1C ZINC000974604059 679962753 /nfs/dbraw/zinc/96/27/53/679962753.db2.gz DLPGZRYRNCIZJS-XYPHTWIQSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC2(C)C)CC[NH+]1C ZINC000974604059 679962760 /nfs/dbraw/zinc/96/27/60/679962760.db2.gz DLPGZRYRNCIZJS-XYPHTWIQSA-N 2 1 360.527 2.287 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000983714312 680323313 /nfs/dbraw/zinc/32/33/13/680323313.db2.gz PUPCORPMYHIJCR-DFEHZGFQSA-N 2 1 360.527 2.334 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001052393812 681076915 /nfs/dbraw/zinc/07/69/15/681076915.db2.gz RDWCMBQQDUEVHG-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC001052393812 681076916 /nfs/dbraw/zinc/07/69/16/681076916.db2.gz RDWCMBQQDUEVHG-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC001052393812 681076917 /nfs/dbraw/zinc/07/69/17/681076917.db2.gz RDWCMBQQDUEVHG-RVKKMQEKSA-N 2 1 360.527 2.431 20 30 FEEDMP C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2 ZINC000949098732 681617454 /nfs/dbraw/zinc/61/74/54/681617454.db2.gz BJPSQVFHJVFOGE-DLBZAZTESA-N 2 1 369.937 2.163 20 30 FEEDMP C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCO2 ZINC000949098732 681617458 /nfs/dbraw/zinc/61/74/58/681617458.db2.gz BJPSQVFHJVFOGE-DLBZAZTESA-N 2 1 369.937 2.163 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000960641891 682055037 /nfs/dbraw/zinc/05/50/37/682055037.db2.gz NRBBFKNLDSIMSE-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000960641891 682055044 /nfs/dbraw/zinc/05/50/44/682055044.db2.gz NRBBFKNLDSIMSE-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000960641891 682055051 /nfs/dbraw/zinc/05/50/51/682055051.db2.gz NRBBFKNLDSIMSE-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921705703 683550987 /nfs/dbraw/zinc/55/09/87/683550987.db2.gz VYVLVMXGRRUBBY-ZDUSSCGKSA-N 2 1 351.292 2.046 20 30 FEEDMP C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000903100185 690844007 /nfs/dbraw/zinc/84/40/07/690844007.db2.gz JJOGTZNYWDEUDQ-HNNXBMFYSA-N 2 1 366.531 2.117 20 30 FEEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000073961825 542019562 /nfs/dbraw/zinc/01/95/62/542019562.db2.gz IWDVMZURDHNHLG-MRXNPFEDSA-N 2 1 368.510 2.335 20 30 FEEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000073961825 542019566 /nfs/dbraw/zinc/01/95/66/542019566.db2.gz IWDVMZURDHNHLG-MRXNPFEDSA-N 2 1 368.510 2.335 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(O)c(Br)c1 ZINC000153462554 544778765 /nfs/dbraw/zinc/77/87/65/544778765.db2.gz JNKFYSKLZVKCFW-LBPRGKRZSA-N 2 1 355.280 2.043 20 30 FEEDMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122084800 326383565 /nfs/dbraw/zinc/38/35/65/326383565.db2.gz VYUBDMWLTAPDDH-FQEVSTJZSA-N 2 1 372.513 2.155 20 30 FEEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122084800 326383566 /nfs/dbraw/zinc/38/35/66/326383566.db2.gz VYUBDMWLTAPDDH-FQEVSTJZSA-N 2 1 372.513 2.155 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000261982897 549777438 /nfs/dbraw/zinc/77/74/38/549777438.db2.gz JKRAPBBEKGGXIT-KRWDZBQOSA-N 2 1 361.486 2.080 20 30 FEEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000264085084 549977348 /nfs/dbraw/zinc/97/73/48/549977348.db2.gz IZBMIAYSUZDJFD-CYBMUJFWSA-N 2 1 373.423 2.195 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000264089062 549978132 /nfs/dbraw/zinc/97/81/32/549978132.db2.gz KLUYHMIFHQSWIZ-KRWDZBQOSA-N 2 1 360.506 2.105 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000494104299 561462618 /nfs/dbraw/zinc/46/26/18/561462618.db2.gz BYTIGAYQXHHJER-HXUWFJFHSA-N 2 1 356.514 2.205 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000494104299 561462619 /nfs/dbraw/zinc/46/26/19/561462619.db2.gz BYTIGAYQXHHJER-HXUWFJFHSA-N 2 1 356.514 2.205 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000277236117 550646470 /nfs/dbraw/zinc/64/64/70/550646470.db2.gz PDMDJEOXIAJKQN-UHFFFAOYSA-N 2 1 353.470 2.346 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000277236117 550646472 /nfs/dbraw/zinc/64/64/72/550646472.db2.gz PDMDJEOXIAJKQN-UHFFFAOYSA-N 2 1 353.470 2.346 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000292147863 552698403 /nfs/dbraw/zinc/69/84/03/552698403.db2.gz NEANFMYYSNLOKG-WIYYLYMNSA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147863 552698405 /nfs/dbraw/zinc/69/84/05/552698405.db2.gz NEANFMYYSNLOKG-WIYYLYMNSA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147863 552698406 /nfs/dbraw/zinc/69/84/06/552698406.db2.gz NEANFMYYSNLOKG-WIYYLYMNSA-N 2 1 360.498 2.191 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504316257 561656181 /nfs/dbraw/zinc/65/61/81/561656181.db2.gz GBUZVCRBLDHNFP-UXHICEINSA-N 2 1 369.513 2.258 20 30 FEEDMP C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@H+](C)C3)ccc2C#N)C1 ZINC000302892230 553740707 /nfs/dbraw/zinc/74/07/07/553740707.db2.gz PZJDSSPYWHCBAI-DLBZAZTESA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@@H](CNc2ccc(C#N)c(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000302892230 553740708 /nfs/dbraw/zinc/74/07/08/553740708.db2.gz PZJDSSPYWHCBAI-DLBZAZTESA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@@H](CNc2ccc(C#N)c(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000302892230 553740709 /nfs/dbraw/zinc/74/07/09/553740709.db2.gz PZJDSSPYWHCBAI-DLBZAZTESA-N 2 1 356.518 2.461 20 30 FEEDMP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1 ZINC000330177803 554079138 /nfs/dbraw/zinc/07/91/38/554079138.db2.gz DEXLJGDWIVLEBX-QRWLVFNGSA-N 2 1 359.518 2.437 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000334005191 554667524 /nfs/dbraw/zinc/66/75/24/554667524.db2.gz NHEJUQJMLKVATD-IAGOWNOFSA-N 2 1 366.550 2.214 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)CCC#N ZINC000513130218 561926398 /nfs/dbraw/zinc/92/63/98/561926398.db2.gz RPUFCDXIRWQWFP-KRWDZBQOSA-N 2 1 351.539 2.374 20 30 FEEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000368050180 556204855 /nfs/dbraw/zinc/20/48/55/556204855.db2.gz DEHNLCVKKYLXGG-AZUAARDMSA-N 2 1 356.514 2.437 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000370942579 557023787 /nfs/dbraw/zinc/02/37/87/557023787.db2.gz QRZKFWFTDSDJTI-HNAYVOBHSA-N 2 1 374.554 2.123 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205438 557106927 /nfs/dbraw/zinc/10/69/27/557106927.db2.gz RVNHAJILOCGSDT-VQTJNVASSA-N 2 1 357.498 2.496 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205438 557106931 /nfs/dbraw/zinc/10/69/31/557106931.db2.gz RVNHAJILOCGSDT-VQTJNVASSA-N 2 1 357.498 2.496 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374417495 557881343 /nfs/dbraw/zinc/88/13/43/557881343.db2.gz AVLAVWBTOHKZKS-ZIFCJYIRSA-N 2 1 359.470 2.129 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374417495 557881344 /nfs/dbraw/zinc/88/13/44/557881344.db2.gz AVLAVWBTOHKZKS-ZIFCJYIRSA-N 2 1 359.470 2.129 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3C#N)C2)CC1 ZINC000449497095 560231729 /nfs/dbraw/zinc/23/17/29/560231729.db2.gz KEAOZNHGBYENCZ-IBGZPJMESA-N 2 1 354.498 2.324 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000466815173 560896528 /nfs/dbraw/zinc/89/65/28/560896528.db2.gz LKCJJOMWUFXCPL-FQEVSTJZSA-N 2 1 371.529 2.158 20 30 FEEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469867386 560967392 /nfs/dbraw/zinc/96/73/92/560967392.db2.gz VQCYFDUDDPJNDL-MJGOQNOKSA-N 2 1 357.498 2.332 20 30 FEEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C[NH+]1CCOCC1 ZINC000160723590 672293226 /nfs/dbraw/zinc/29/32/26/672293226.db2.gz YKJWXPJRQOGEOX-GFCCVEGCSA-N 2 1 360.380 2.280 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1F ZINC000262006416 672907296 /nfs/dbraw/zinc/90/72/96/672907296.db2.gz RQOFFUIDNXGYET-ZDUSSCGKSA-N 2 1 357.271 2.477 20 30 FEEDMP Cc1cc(Cl)ccc1OCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303905723 673019337 /nfs/dbraw/zinc/01/93/37/673019337.db2.gz ZNENOWBDOCUXRZ-UHFFFAOYSA-N 2 1 368.909 2.044 20 30 FEEDMP C=CCCOCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674308684 679481976 /nfs/dbraw/zinc/48/19/76/679481976.db2.gz RFZVOMZIOFZVCN-UHFFFAOYSA-N 2 1 351.535 2.234 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995826256 680304862 /nfs/dbraw/zinc/30/48/62/680304862.db2.gz PIATWPWBXHVOCU-XYPHTWIQSA-N 2 1 360.527 2.287 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000836489389 680476219 /nfs/dbraw/zinc/47/62/19/680476219.db2.gz YWLIBFXLSBIUMH-WMZOPIPTSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000836489389 680476222 /nfs/dbraw/zinc/47/62/22/680476222.db2.gz YWLIBFXLSBIUMH-WMZOPIPTSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000836489389 680476226 /nfs/dbraw/zinc/47/62/26/680476226.db2.gz YWLIBFXLSBIUMH-WMZOPIPTSA-N 2 1 362.543 2.385 20 30 FEEDMP C=C[C@@H](C)ONC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000845628796 681142016 /nfs/dbraw/zinc/14/20/16/681142016.db2.gz FOUKFYBVGKPHAM-MRXNPFEDSA-N 2 1 352.523 2.330 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876781416 686267171 /nfs/dbraw/zinc/26/71/71/686267171.db2.gz LAAWVJDSRCWVSK-BZSNNMDCSA-N 2 1 365.905 2.252 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876781416 686267175 /nfs/dbraw/zinc/26/71/75/686267175.db2.gz LAAWVJDSRCWVSK-BZSNNMDCSA-N 2 1 365.905 2.252 20 30 FEEDMP C=CC[C@@H](C(=O)OC)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000878174254 686535279 /nfs/dbraw/zinc/53/52/79/686535279.db2.gz MSCVIINHOSFNMV-IBGZPJMESA-N 2 1 351.535 2.232 20 30 FEEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@]1(C)CCCCO1 ZINC000902792792 690807836 /nfs/dbraw/zinc/80/78/36/690807836.db2.gz DIWCARWLFJGNGB-HBFSDRIKSA-N 2 1 351.535 2.457 20 30 FEEDMP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000090064905 542781699 /nfs/dbraw/zinc/78/16/99/542781699.db2.gz DLEDRHBOJNQJKS-CHWSQXEVSA-N 2 1 372.391 2.374 20 30 FEEDMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000090064905 542781702 /nfs/dbraw/zinc/78/17/02/542781702.db2.gz DLEDRHBOJNQJKS-CHWSQXEVSA-N 2 1 372.391 2.374 20 30 FEEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821447 542888956 /nfs/dbraw/zinc/88/89/56/542888956.db2.gz KGLGFDKXBNWENX-KRWDZBQOSA-N 2 1 357.502 2.380 20 30 FEEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)n2c1 ZINC000136598732 326653635 /nfs/dbraw/zinc/65/36/35/326653635.db2.gz RIHMODCAWMDXAM-RTBURBONSA-N 2 1 353.470 2.063 20 30 FEEDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000157496568 545747824 /nfs/dbraw/zinc/74/78/24/545747824.db2.gz XYNYJIFEVFLRCU-FQEVSTJZSA-N 2 1 350.466 2.409 20 30 FEEDMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000157496568 545747830 /nfs/dbraw/zinc/74/78/30/545747830.db2.gz XYNYJIFEVFLRCU-FQEVSTJZSA-N 2 1 350.466 2.409 20 30 FEEDMP C[NH+]=C(NCC(C)(C)c1cccs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261814316 549757928 /nfs/dbraw/zinc/75/79/28/549757928.db2.gz SYKTZJBBSJSBGP-INIZCTEOSA-N 2 1 364.559 2.255 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000276243925 550577651 /nfs/dbraw/zinc/57/76/51/550577651.db2.gz OPYNXHFSKHAKFG-GBESFXJTSA-N 2 1 351.535 2.302 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000276243925 550577652 /nfs/dbraw/zinc/57/76/52/550577652.db2.gz OPYNXHFSKHAKFG-GBESFXJTSA-N 2 1 351.535 2.302 20 30 FEEDMP Cn1ccnc1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000329063958 553873904 /nfs/dbraw/zinc/87/39/04/553873904.db2.gz VNYPKIMNIAXRCD-BRWVUGGUSA-N 2 1 361.490 2.018 20 30 FEEDMP CN1CCO[C@H](C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858653 554020288 /nfs/dbraw/zinc/02/02/88/554020288.db2.gz OEIISPCUCMAKIG-RDJZCZTQSA-N 2 1 360.458 2.352 20 30 FEEDMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000330331455 554106232 /nfs/dbraw/zinc/10/62/32/554106232.db2.gz OAYCKGHVTMVGEU-QRFRQXIXSA-N 2 1 371.529 2.405 20 30 FEEDMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330331455 554106234 /nfs/dbraw/zinc/10/62/34/554106234.db2.gz OAYCKGHVTMVGEU-QRFRQXIXSA-N 2 1 371.529 2.405 20 30 FEEDMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330331455 554106236 /nfs/dbraw/zinc/10/62/36/554106236.db2.gz OAYCKGHVTMVGEU-QRFRQXIXSA-N 2 1 371.529 2.405 20 30 FEEDMP N#Cc1ccc(N2CCC([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC2)cc1 ZINC000333854417 554649713 /nfs/dbraw/zinc/64/97/13/554649713.db2.gz QOTPYKGZDFPVPE-UHFFFAOYSA-N 2 1 367.541 2.333 20 30 FEEDMP C=CCCO[C@@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371094162 557073384 /nfs/dbraw/zinc/07/33/84/557073384.db2.gz OEQPZDADSYLRDV-KRWDZBQOSA-N 2 1 351.535 2.280 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299072 557136273 /nfs/dbraw/zinc/13/62/73/557136273.db2.gz CKGFFJXJLUFBBT-PMPSAXMXSA-N 2 1 362.499 2.132 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299072 557136269 /nfs/dbraw/zinc/13/62/69/557136269.db2.gz CKGFFJXJLUFBBT-PMPSAXMXSA-N 2 1 362.499 2.132 20 30 FEEDMP C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517651104 562094665 /nfs/dbraw/zinc/09/46/65/562094665.db2.gz VZQMALYITWYZQA-OAHLLOKOSA-N 2 1 365.437 2.111 20 30 FEEDMP C=CCNC(=O)CN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411124127 558841109 /nfs/dbraw/zinc/84/11/09/558841109.db2.gz GMIPYFSDOYNISD-UHFFFAOYSA-N 2 1 370.541 2.092 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000418612977 559407913 /nfs/dbraw/zinc/40/79/13/559407913.db2.gz FIRIMJZCRLURNG-HXUWFJFHSA-N 2 1 369.513 2.293 20 30 FEEDMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033185 560878744 /nfs/dbraw/zinc/87/87/44/560878744.db2.gz BKNWBBRXQYPNDZ-APWZRJJASA-N 2 1 357.502 2.114 20 30 FEEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261814468 672903697 /nfs/dbraw/zinc/90/36/97/672903697.db2.gz SZXHPGSEYZMEPJ-MRXNPFEDSA-N 2 1 360.893 2.289 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(Br)c1 ZINC000303895142 673018660 /nfs/dbraw/zinc/01/86/60/673018660.db2.gz SZMVGSZNBDVOTQ-CQSZACIVSA-N 2 1 369.307 2.217 20 30 FEEDMP N#Cc1c(NC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)sc2c1CCCCC2 ZINC000603867340 675801664 /nfs/dbraw/zinc/80/16/64/675801664.db2.gz MYBUEYCRNWPIHC-ZIAGYGMSSA-N 2 1 358.511 2.368 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001014473715 680037470 /nfs/dbraw/zinc/03/74/70/680037470.db2.gz DVDOAGNICTUBID-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001014473715 680037475 /nfs/dbraw/zinc/03/74/75/680037475.db2.gz DVDOAGNICTUBID-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001014473715 680037476 /nfs/dbraw/zinc/03/74/76/680037476.db2.gz DVDOAGNICTUBID-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001014473715 680037481 /nfs/dbraw/zinc/03/74/81/680037481.db2.gz DVDOAGNICTUBID-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP Cc1ncsc1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1 ZINC000923336379 684265206 /nfs/dbraw/zinc/26/52/06/684265206.db2.gz KKJSKWKKWMIRIR-AEFFLSMTSA-N 2 1 356.495 2.468 20 30 FEEDMP Cc1ncsc1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1 ZINC000923336379 684265213 /nfs/dbraw/zinc/26/52/13/684265213.db2.gz KKJSKWKKWMIRIR-AEFFLSMTSA-N 2 1 356.495 2.468 20 30 FEEDMP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000877625216 686424906 /nfs/dbraw/zinc/42/49/06/686424906.db2.gz WXTPQNACZROAIW-SFHVURJKSA-N 2 1 356.857 2.463 20 30 FEEDMP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000877625216 686424908 /nfs/dbraw/zinc/42/49/08/686424908.db2.gz WXTPQNACZROAIW-SFHVURJKSA-N 2 1 356.857 2.463 20 30 FEEDMP C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000903100186 690843948 /nfs/dbraw/zinc/84/39/48/690843948.db2.gz JJOGTZNYWDEUDQ-OAHLLOKOSA-N 2 1 366.531 2.117 20 30 FEEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000104191939 543126251 /nfs/dbraw/zinc/12/62/51/543126251.db2.gz UXELJROMSVOOTE-GOSISDBHSA-N 2 1 359.518 2.479 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000128974682 544083653 /nfs/dbraw/zinc/08/36/53/544083653.db2.gz NPPCTRIKIZLQTI-MJGOQNOKSA-N 2 1 372.513 2.200 20 30 FEEDMP CCC[NH+]1CCC(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000112358047 325775098 /nfs/dbraw/zinc/77/50/98/325775098.db2.gz KEYZNZPQPJRTDL-UHFFFAOYSA-N 2 1 356.514 2.429 20 30 FEEDMP C[NH+]1CCC(CNC(=O)c2ccccc2OCC#N)(N2CCCCC2)CC1 ZINC000172752999 546266859 /nfs/dbraw/zinc/26/68/59/546266859.db2.gz GEVALSBUHQSXHZ-UHFFFAOYSA-N 2 1 370.497 2.269 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000187020446 548242921 /nfs/dbraw/zinc/24/29/21/548242921.db2.gz PMTPLFHHRGRTDD-MSOLQXFVSA-N 2 1 364.534 2.056 20 30 FEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000187020446 548242926 /nfs/dbraw/zinc/24/29/26/548242926.db2.gz PMTPLFHHRGRTDD-MSOLQXFVSA-N 2 1 364.534 2.056 20 30 FEEDMP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000269393963 550190133 /nfs/dbraw/zinc/19/01/33/550190133.db2.gz XWCONTSBTRHVQV-NRFANRHFSA-N 2 1 356.514 2.082 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300386 550435751 /nfs/dbraw/zinc/43/57/51/550435751.db2.gz POOYRJOBGWFPSW-WIYYLYMNSA-N 2 1 353.510 2.358 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856980 550560035 /nfs/dbraw/zinc/56/00/35/550560035.db2.gz SNZBKDXBQBEGQK-UYAOXDASSA-N 2 1 367.497 2.143 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856980 550560036 /nfs/dbraw/zinc/56/00/36/550560036.db2.gz SNZBKDXBQBEGQK-UYAOXDASSA-N 2 1 367.497 2.143 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000297196041 553262117 /nfs/dbraw/zinc/26/21/17/553262117.db2.gz CLMAAFYYJNIHTF-UHFFFAOYSA-N 2 1 356.514 2.248 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000304764030 553747457 /nfs/dbraw/zinc/74/74/57/553747457.db2.gz XLBSTZYYCNFYIL-AWEZNQCLSA-N 2 1 362.865 2.279 20 30 FEEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1C ZINC000329606083 553975708 /nfs/dbraw/zinc/97/57/08/553975708.db2.gz ZQDYPSMDSSWAKG-ZACQAIPSSA-N 2 1 352.523 2.149 20 30 FEEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000329697385 553991410 /nfs/dbraw/zinc/99/14/10/553991410.db2.gz YHDZVHRAKCTWSL-ZWKOTPCHSA-N 2 1 367.534 2.191 20 30 FEEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000329697385 553991413 /nfs/dbraw/zinc/99/14/13/553991413.db2.gz YHDZVHRAKCTWSL-ZWKOTPCHSA-N 2 1 367.534 2.191 20 30 FEEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000329697385 553991414 /nfs/dbraw/zinc/99/14/14/553991414.db2.gz YHDZVHRAKCTWSL-ZWKOTPCHSA-N 2 1 367.534 2.191 20 30 FEEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236022 555060864 /nfs/dbraw/zinc/06/08/64/555060864.db2.gz IYQMEYVEJXOKOI-MNEFBYGVSA-N 2 1 353.470 2.185 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236022 555060866 /nfs/dbraw/zinc/06/08/66/555060866.db2.gz IYQMEYVEJXOKOI-MNEFBYGVSA-N 2 1 353.470 2.185 20 30 FEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365886977 555693140 /nfs/dbraw/zinc/69/31/40/555693140.db2.gz SFIDMLDUHLTVQI-GOSISDBHSA-N 2 1 351.454 2.223 20 30 FEEDMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418686854 559411242 /nfs/dbraw/zinc/41/12/42/559411242.db2.gz CSQXAESKWBUVQV-KRWDZBQOSA-N 2 1 357.502 2.293 20 30 FEEDMP N#Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000541314546 562608870 /nfs/dbraw/zinc/60/88/70/562608870.db2.gz GZMWPQQBXOJFIM-UHFFFAOYSA-N 2 1 352.482 2.266 20 30 FEEDMP N#Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000541314546 562608871 /nfs/dbraw/zinc/60/88/71/562608871.db2.gz GZMWPQQBXOJFIM-UHFFFAOYSA-N 2 1 352.482 2.266 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303884119 673018381 /nfs/dbraw/zinc/01/83/81/673018381.db2.gz MQYKJJJNRPBBTR-KRWDZBQOSA-N 3 1 363.575 2.349 20 30 FEEDMP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccccc1Cl ZINC000304754029 673020209 /nfs/dbraw/zinc/02/02/09/673020209.db2.gz YQNKOSDKZGPGNU-HNNXBMFYSA-N 2 1 368.909 2.124 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734365414 673461227 /nfs/dbraw/zinc/46/12/27/673461227.db2.gz ZPFJEEQRYWDHOG-INIZCTEOSA-N 2 1 361.559 2.300 20 30 FEEDMP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000614621898 676184046 /nfs/dbraw/zinc/18/40/46/676184046.db2.gz VAMPATLWQJCUHL-QGZVFWFLSA-N 2 1 360.889 2.452 20 30 FEEDMP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000614621898 676184047 /nfs/dbraw/zinc/18/40/47/676184047.db2.gz VAMPATLWQJCUHL-QGZVFWFLSA-N 2 1 360.889 2.452 20 30 FEEDMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921705702 683550886 /nfs/dbraw/zinc/55/08/86/683550886.db2.gz VYVLVMXGRRUBBY-CYBMUJFWSA-N 2 1 351.292 2.046 20 30 FEEDMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000068598734 541613022 /nfs/dbraw/zinc/61/30/22/541613022.db2.gz VKJPONMQUZLJJS-KRWDZBQOSA-N 2 1 357.502 2.116 20 30 FEEDMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[N@@H+](C)C1CC1 ZINC000105267615 543167472 /nfs/dbraw/zinc/16/74/72/543167472.db2.gz ZIKVDFLVVJWCGT-INIZCTEOSA-N 2 1 357.502 2.114 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000128974452 544083598 /nfs/dbraw/zinc/08/35/98/544083598.db2.gz NPPCTRIKIZLQTI-IEBWSBKVSA-N 2 1 372.513 2.200 20 30 FEEDMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000129864871 544130226 /nfs/dbraw/zinc/13/02/26/544130226.db2.gz UIDFPNKIGVIRDB-QFBILLFUSA-N 2 1 369.513 2.257 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000153984438 544848246 /nfs/dbraw/zinc/84/82/46/544848246.db2.gz MWOBQWSSMGTIJY-KDURUIRLSA-N 2 1 356.514 2.427 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000153984438 544848250 /nfs/dbraw/zinc/84/82/50/544848250.db2.gz MWOBQWSSMGTIJY-KDURUIRLSA-N 2 1 356.514 2.427 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000264936432 550004277 /nfs/dbraw/zinc/00/42/77/550004277.db2.gz DFARIURIUQBRNO-IBGZPJMESA-N 2 1 353.470 2.010 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267272714 550029705 /nfs/dbraw/zinc/02/97/05/550029705.db2.gz ARIQPXWYALIDMC-GHTZIAJQSA-N 2 1 353.510 2.358 20 30 FEEDMP C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314703 550493940 /nfs/dbraw/zinc/49/39/40/550493940.db2.gz VGUOPGHVZMPHJC-LPHOPBHVSA-N 2 1 354.498 2.417 20 30 FEEDMP C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273314703 550493942 /nfs/dbraw/zinc/49/39/42/550493942.db2.gz VGUOPGHVZMPHJC-LPHOPBHVSA-N 2 1 354.498 2.417 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000280897714 551043572 /nfs/dbraw/zinc/04/35/72/551043572.db2.gz BKOSMFLUKCNVII-TZIWHRDSSA-N 2 1 351.494 2.475 20 30 FEEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000304757422 553747723 /nfs/dbraw/zinc/74/77/23/553747723.db2.gz OVPITPQJGBGKJG-PKOBYXMFSA-N 2 1 362.518 2.409 20 30 FEEDMP COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000328664761 553804215 /nfs/dbraw/zinc/80/42/15/553804215.db2.gz YUIPNNZKEHDPHM-ICSRJNTNSA-N 2 1 373.497 2.386 20 30 FEEDMP COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000328664761 553804218 /nfs/dbraw/zinc/80/42/18/553804218.db2.gz YUIPNNZKEHDPHM-ICSRJNTNSA-N 2 1 373.497 2.386 20 30 FEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4ccnc4)c3)[C@@H]2C1 ZINC000329303444 553921351 /nfs/dbraw/zinc/92/13/51/553921351.db2.gz XHLYROKZVJXDGM-RTBURBONSA-N 2 1 353.470 2.371 20 30 FEEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000332523689 554462336 /nfs/dbraw/zinc/46/23/36/554462336.db2.gz LRTZWDRHLHFDHY-UHFFFAOYSA-N 2 1 354.498 2.129 20 30 FEEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049617 562274691 /nfs/dbraw/zinc/27/46/91/562274691.db2.gz GCTCEYZGDRJNKR-IAGOWNOFSA-N 2 1 354.498 2.295 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984626 559517569 /nfs/dbraw/zinc/51/75/69/559517569.db2.gz UAFVGDOUVHAFQJ-IBGZPJMESA-N 2 1 362.562 2.068 20 30 FEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917229 560899123 /nfs/dbraw/zinc/89/91/23/560899123.db2.gz APZXKZLHPIASCY-FXAWDEMLSA-N 2 1 364.534 2.006 20 30 FEEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469867385 560967296 /nfs/dbraw/zinc/96/72/96/560967296.db2.gz VQCYFDUDDPJNDL-IEBWSBKVSA-N 2 1 357.498 2.332 20 30 FEEDMP C=CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000533423691 562508192 /nfs/dbraw/zinc/50/81/92/562508192.db2.gz SHGREOJDWRZMGQ-SFHVURJKSA-N 2 1 371.525 2.422 20 30 FEEDMP CC(C)[NH2+]CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000570382925 568481814 /nfs/dbraw/zinc/48/18/14/568481814.db2.gz VFIQOGCJDNRBFP-UHFFFAOYSA-N 2 1 357.502 2.164 20 30 FEEDMP C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083093934 670654216 /nfs/dbraw/zinc/65/42/16/670654216.db2.gz QWKDLCVKYHNWET-CYBMUJFWSA-N 2 1 364.877 2.013 20 30 FEEDMP C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083093934 670654219 /nfs/dbraw/zinc/65/42/19/670654219.db2.gz QWKDLCVKYHNWET-CYBMUJFWSA-N 2 1 364.877 2.013 20 30 FEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262804117 672921485 /nfs/dbraw/zinc/92/14/85/672921485.db2.gz RPMNAULUDSXZMI-RBUKOAKNSA-N 2 1 368.591 2.282 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1 ZINC000304771925 673020947 /nfs/dbraw/zinc/02/09/47/673020947.db2.gz AKCSPMPHDIQFRQ-HNNXBMFYSA-N 2 1 363.472 2.039 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000999210704 680399147 /nfs/dbraw/zinc/39/91/47/680399147.db2.gz UUWFXVXJGYOXPM-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001033095756 680418107 /nfs/dbraw/zinc/41/81/07/680418107.db2.gz DSRMMEBCMQREER-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001033095756 680418113 /nfs/dbraw/zinc/41/81/13/680418113.db2.gz DSRMMEBCMQREER-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001033095756 680418119 /nfs/dbraw/zinc/41/81/19/680418119.db2.gz DSRMMEBCMQREER-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001033095756 680418123 /nfs/dbraw/zinc/41/81/23/680418123.db2.gz DSRMMEBCMQREER-JCGIZDLHSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001045044687 680620139 /nfs/dbraw/zinc/62/01/39/680620139.db2.gz QZGCFQQLCJKMJL-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000079303682 542511988 /nfs/dbraw/zinc/51/19/88/542511988.db2.gz LHHKGTVHQRNXOF-SJORKVTESA-N 2 1 372.513 2.408 20 30 FEEDMP CCCCNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000104193188 543126122 /nfs/dbraw/zinc/12/61/22/543126122.db2.gz XHSXTUHRZQGILS-UHFFFAOYSA-N 2 1 362.518 2.381 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000126209913 543923681 /nfs/dbraw/zinc/92/36/81/543923681.db2.gz HHBRWAREZHZIBE-UHFFFAOYSA-N 2 1 359.518 2.425 20 30 FEEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237896 327314860 /nfs/dbraw/zinc/31/48/60/327314860.db2.gz OQERPIGYSYGBQK-KRWDZBQOSA-N 2 1 370.497 2.462 20 30 FEEDMP C[NH+]1CCC(CNC(=O)c2cccc(CC#N)c2)(N2CCCCC2)CC1 ZINC000172750821 546266968 /nfs/dbraw/zinc/26/69/68/546266968.db2.gz MKDVTWWGTVBXHH-UHFFFAOYSA-N 2 1 354.498 2.433 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccs2)CC1 ZINC000262003436 549778806 /nfs/dbraw/zinc/77/88/06/549778806.db2.gz UYIFXZIASCKPQC-INIZCTEOSA-N 2 1 361.559 2.320 20 30 FEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270535831 550281153 /nfs/dbraw/zinc/28/11/53/550281153.db2.gz AIZXXADZBLAEEY-GHJWDPDVSA-N 2 1 356.873 2.411 20 30 FEEDMP C=CCOc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000289913071 552398665 /nfs/dbraw/zinc/39/86/65/552398665.db2.gz VDHZWIPNRWOCQC-UHFFFAOYSA-N 2 1 357.498 2.237 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000296948880 553233507 /nfs/dbraw/zinc/23/35/07/553233507.db2.gz QBMNVKQALSDCMU-FQEVSTJZSA-N 2 1 356.514 2.105 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000296948880 553233508 /nfs/dbraw/zinc/23/35/08/553233508.db2.gz QBMNVKQALSDCMU-FQEVSTJZSA-N 2 1 356.514 2.105 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000296948880 553233509 /nfs/dbraw/zinc/23/35/09/553233509.db2.gz QBMNVKQALSDCMU-FQEVSTJZSA-N 2 1 356.514 2.105 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000329959220 554038936 /nfs/dbraw/zinc/03/89/36/554038936.db2.gz QMKDHWJGLHBBRT-QZTJIDSGSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000329959220 554038940 /nfs/dbraw/zinc/03/89/40/554038940.db2.gz QMKDHWJGLHBBRT-QZTJIDSGSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000329959220 554038944 /nfs/dbraw/zinc/03/89/44/554038944.db2.gz QMKDHWJGLHBBRT-QZTJIDSGSA-N 2 1 358.486 2.421 20 30 FEEDMP CN(Cc1ccccc1NC(=O)[C@H]1CCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000329959220 554038948 /nfs/dbraw/zinc/03/89/48/554038948.db2.gz QMKDHWJGLHBBRT-QZTJIDSGSA-N 2 1 358.486 2.421 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)CC1 ZINC000363625329 555149555 /nfs/dbraw/zinc/14/95/55/555149555.db2.gz AEYIMCUUULRNSW-UHFFFAOYSA-N 2 1 357.473 2.205 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)CC1 ZINC000363625329 555149557 /nfs/dbraw/zinc/14/95/57/555149557.db2.gz AEYIMCUUULRNSW-UHFFFAOYSA-N 2 1 357.473 2.205 20 30 FEEDMP Cc1ccc(N2CCC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2)[nH+]c1 ZINC000366059824 555739551 /nfs/dbraw/zinc/73/95/51/555739551.db2.gz XCGATYKVBXXCCB-GOSISDBHSA-N 2 1 357.502 2.300 20 30 FEEDMP C[N@@H+]1CCN(CC[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000369480653 556608552 /nfs/dbraw/zinc/60/85/52/556608552.db2.gz QZDGLDSSEYJYDA-NRFANRHFSA-N 2 1 374.492 2.284 20 30 FEEDMP C[N@H+]1CCN(CC[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000369480653 556608554 /nfs/dbraw/zinc/60/85/54/556608554.db2.gz QZDGLDSSEYJYDA-NRFANRHFSA-N 2 1 374.492 2.284 20 30 FEEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000517559281 562092443 /nfs/dbraw/zinc/09/24/43/562092443.db2.gz UMNZYDPBCSAHMF-UHFFFAOYSA-N 2 1 372.513 2.401 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000519292816 562128740 /nfs/dbraw/zinc/12/87/40/562128740.db2.gz JCNAQJXFZHVFRX-SFHVURJKSA-N 2 1 360.502 2.248 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891359 558094615 /nfs/dbraw/zinc/09/46/15/558094615.db2.gz QMESIMOJQCCGDE-IBGZPJMESA-N 2 1 372.513 2.046 20 30 FEEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766673 558415644 /nfs/dbraw/zinc/41/56/44/558415644.db2.gz LEKQGMLWXYUITK-VQTJNVASSA-N 2 1 354.498 2.202 20 30 FEEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378296485 558523201 /nfs/dbraw/zinc/52/32/01/558523201.db2.gz RVUQPXPBKJDTMA-HXUWFJFHSA-N 2 1 356.514 2.427 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000418707340 559411796 /nfs/dbraw/zinc/41/17/96/559411796.db2.gz BNWJLNYFHVJBBS-WOJBJXKFSA-N 2 1 369.513 2.293 20 30 FEEDMP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000437986890 559972591 /nfs/dbraw/zinc/97/25/91/559972591.db2.gz NSQZRUYYKONAFN-OTWHNJEPSA-N 2 1 366.550 2.025 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769204 560964208 /nfs/dbraw/zinc/96/42/08/560964208.db2.gz NSPROWLZRREBCG-FTEYMNFISA-N 2 1 366.550 2.156 20 30 FEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769204 560964209 /nfs/dbraw/zinc/96/42/09/560964209.db2.gz NSPROWLZRREBCG-FTEYMNFISA-N 2 1 366.550 2.156 20 30 FEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528371110 562325486 /nfs/dbraw/zinc/32/54/86/562325486.db2.gz IXPFJQLJWXVTPC-UHFFFAOYSA-N 2 1 367.493 2.338 20 30 FEEDMP C[NH+]=C(NCc1ccc(Cl)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179077542 672398556 /nfs/dbraw/zinc/39/85/56/672398556.db2.gz MEXFNLGJWAATBP-ZDUSSCGKSA-N 2 1 356.923 2.131 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001027417402 680356435 /nfs/dbraw/zinc/35/64/35/680356435.db2.gz XPJIHWTVWLKORL-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001027417402 680356436 /nfs/dbraw/zinc/35/64/36/680356436.db2.gz XPJIHWTVWLKORL-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001027417402 680356439 /nfs/dbraw/zinc/35/64/39/680356439.db2.gz XPJIHWTVWLKORL-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[NH+]1CCN(CCCC[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921528394 683493499 /nfs/dbraw/zinc/49/34/99/683493499.db2.gz UHOLWFUXMHVICL-UHFFFAOYSA-N 2 1 365.319 2.438 20 30 FEEDMP CC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053954732 540560559 /nfs/dbraw/zinc/56/05/59/540560559.db2.gz XSHQBMIBRFCFIB-UHFFFAOYSA-N 2 1 357.502 2.117 20 30 FEEDMP C#CCOc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000093142751 542913029 /nfs/dbraw/zinc/91/30/29/542913029.db2.gz SYVIQBWVGSJUGT-UHFFFAOYSA-N 2 1 369.509 2.075 20 30 FEEDMP C#CCOc1ccccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093142820 542913301 /nfs/dbraw/zinc/91/33/01/542913301.db2.gz NHYOGRVOKJRSGM-UHFFFAOYSA-N 2 1 369.509 2.075 20 30 FEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950910 327297179 /nfs/dbraw/zinc/29/71/79/327297179.db2.gz GAKRGYKYTLLLBA-KRWDZBQOSA-N 2 1 370.497 2.462 20 30 FEEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156294233 545615213 /nfs/dbraw/zinc/61/52/13/545615213.db2.gz MPBVAVVYLMMVGS-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156294233 545615214 /nfs/dbraw/zinc/61/52/14/545615214.db2.gz MPBVAVVYLMMVGS-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000175387021 546309646 /nfs/dbraw/zinc/30/96/46/546309646.db2.gz YSRXGEAEUHUCSB-FQEVSTJZSA-N 2 1 369.513 2.260 20 30 FEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000245964709 549029513 /nfs/dbraw/zinc/02/95/13/549029513.db2.gz DKICVMALNOAQIW-LLGFUMIMSA-N 2 1 357.498 2.413 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000263244091 549888427 /nfs/dbraw/zinc/88/84/27/549888427.db2.gz MDVFZMCBQHKTMS-AWEZNQCLSA-N 2 1 366.893 2.390 20 30 FEEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000263722380 549926014 /nfs/dbraw/zinc/92/60/14/549926014.db2.gz WLVOAKHWUCGDDE-HXUWFJFHSA-N 2 1 371.529 2.069 20 30 FEEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000263722380 549926018 /nfs/dbraw/zinc/92/60/18/549926018.db2.gz WLVOAKHWUCGDDE-HXUWFJFHSA-N 2 1 371.529 2.069 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000264564879 549997877 /nfs/dbraw/zinc/99/78/77/549997877.db2.gz RFEJNPKVPNCIEM-NRFANRHFSA-N 2 1 368.525 2.240 20 30 FEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270535828 550281070 /nfs/dbraw/zinc/28/10/70/550281070.db2.gz AIZXXADZBLAEEY-DETPVDSQSA-N 2 1 356.873 2.411 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000292147857 552698471 /nfs/dbraw/zinc/69/84/71/552698471.db2.gz NEANFMYYSNLOKG-GHTZIAJQSA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147857 552698473 /nfs/dbraw/zinc/69/84/73/552698473.db2.gz NEANFMYYSNLOKG-GHTZIAJQSA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147857 552698474 /nfs/dbraw/zinc/69/84/74/552698474.db2.gz NEANFMYYSNLOKG-GHTZIAJQSA-N 2 1 360.498 2.191 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000505755125 561679378 /nfs/dbraw/zinc/67/93/78/561679378.db2.gz PZXSBUJPYUXHJM-HXUWFJFHSA-N 2 1 356.514 2.365 20 30 FEEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC1 ZINC000328699090 553809345 /nfs/dbraw/zinc/80/93/45/553809345.db2.gz VJXZUCPCLZHNIG-UHFFFAOYSA-N 2 1 372.513 2.019 20 30 FEEDMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1C ZINC000329020548 553866035 /nfs/dbraw/zinc/86/60/35/553866035.db2.gz HSGSNNPLYUDULY-DKKFBQAASA-N 2 1 366.550 2.083 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000364147206 555258863 /nfs/dbraw/zinc/25/88/63/555258863.db2.gz TXMSEDGKILSLHI-CHWSQXEVSA-N 2 1 373.432 2.371 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000365746077 555658078 /nfs/dbraw/zinc/65/80/78/555658078.db2.gz HVMLIRBOLWADCY-FCHUYYIVSA-N 2 1 365.521 2.312 20 30 FEEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000367485478 556063091 /nfs/dbraw/zinc/06/30/91/556063091.db2.gz YPYBNEFMIBQUMS-DUXKGJEZSA-N 2 1 354.498 2.468 20 30 FEEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000367485478 556063093 /nfs/dbraw/zinc/06/30/93/556063093.db2.gz YPYBNEFMIBQUMS-DUXKGJEZSA-N 2 1 354.498 2.468 20 30 FEEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3cccc(C#N)c3)CC2)CC1 ZINC000420977045 559516667 /nfs/dbraw/zinc/51/66/67/559516667.db2.gz HOQQPHGLCNEDKH-UHFFFAOYSA-N 2 1 356.514 2.429 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205354 559975550 /nfs/dbraw/zinc/97/55/50/559975550.db2.gz AONVMDNYVDATFL-KRWDZBQOSA-N 2 1 373.501 2.447 20 30 FEEDMP C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083125407 670655841 /nfs/dbraw/zinc/65/58/41/670655841.db2.gz WQBUFHUGXYBRQW-AWEZNQCLSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]=C(NCc1cc(F)cc(Br)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083125407 670655844 /nfs/dbraw/zinc/65/58/44/670655844.db2.gz WQBUFHUGXYBRQW-AWEZNQCLSA-N 2 1 369.282 2.490 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000104173911 670790372 /nfs/dbraw/zinc/79/03/72/670790372.db2.gz HAMRUMDETFXOQQ-GOSISDBHSA-N 2 1 361.559 2.128 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@H](C)O1 ZINC000303899836 673018516 /nfs/dbraw/zinc/01/85/16/673018516.db2.gz RTUCMSRUTBUDDU-IYBDPMFKSA-N 2 1 362.543 2.159 20 30 FEEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303979229 673019603 /nfs/dbraw/zinc/01/96/03/673019603.db2.gz MXUCMFWXFQRBGJ-ZDUSSCGKSA-N 2 1 360.380 2.423 20 30 FEEDMP C=CCC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCCC1 ZINC000625937775 676679007 /nfs/dbraw/zinc/67/90/07/676679007.db2.gz SZYVEMHZWCLDNP-SFHVURJKSA-N 2 1 351.535 2.328 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)cc1 ZINC000123055474 543740321 /nfs/dbraw/zinc/74/03/21/543740321.db2.gz ZEXQOSXGNKGGOM-NRFANRHFSA-N 2 1 366.509 2.467 20 30 FEEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000152296761 544635385 /nfs/dbraw/zinc/63/53/85/544635385.db2.gz ACWRVIFLPSRTPF-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000152296761 544635390 /nfs/dbraw/zinc/63/53/90/544635390.db2.gz ACWRVIFLPSRTPF-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000173510737 546283084 /nfs/dbraw/zinc/28/30/84/546283084.db2.gz QHVMFCVQGHWGGU-LJQANCHMSA-N 2 1 353.510 2.455 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCOCC1 ZINC000264098706 549978933 /nfs/dbraw/zinc/97/89/33/549978933.db2.gz NJIAKZQJHPLHGM-SFHVURJKSA-N 2 1 362.493 2.263 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000264491246 549996758 /nfs/dbraw/zinc/99/67/58/549996758.db2.gz WLYXKZYFWGVBAW-QGZVFWFLSA-N 2 1 355.482 2.364 20 30 FEEDMP Cc1ccc([C@H]2OCCC[C@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267454519 550031838 /nfs/dbraw/zinc/03/18/38/550031838.db2.gz SLBAJFUGLDUFEI-VQTJNVASSA-N 2 1 374.529 2.089 20 30 FEEDMP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562262 550458132 /nfs/dbraw/zinc/45/81/32/550458132.db2.gz GUMVMTXFDOQYMW-HTXRYDERSA-N 2 1 368.481 2.013 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000296350219 553145786 /nfs/dbraw/zinc/14/57/86/553145786.db2.gz NTEPYVWOYSLAHM-UHFFFAOYSA-N 2 1 357.502 2.216 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000297514481 553302712 /nfs/dbraw/zinc/30/27/12/553302712.db2.gz PLCXCXGOVASATM-HXUWFJFHSA-N 2 1 371.529 2.033 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[NH+]1CC ZINC000297514481 553302713 /nfs/dbraw/zinc/30/27/13/553302713.db2.gz PLCXCXGOVASATM-HXUWFJFHSA-N 2 1 371.529 2.033 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[NH+]1CC ZINC000297514481 553302714 /nfs/dbraw/zinc/30/27/14/553302714.db2.gz PLCXCXGOVASATM-HXUWFJFHSA-N 2 1 371.529 2.033 20 30 FEEDMP C=CCCOCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363450256 555108538 /nfs/dbraw/zinc/10/85/38/555108538.db2.gz PRJCUZCIFDMFQA-UHFFFAOYSA-N 2 1 366.550 2.075 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472061 558033291 /nfs/dbraw/zinc/03/32/91/558033291.db2.gz NAJNLXNPHJUIJC-GTYQWKCWSA-N 2 1 360.542 2.480 20 30 FEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)C(C)C ZINC000417061771 559346320 /nfs/dbraw/zinc/34/63/20/559346320.db2.gz LGORUGZVHYRSFZ-VQTJNVASSA-N 2 1 371.529 2.436 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000418707337 559411761 /nfs/dbraw/zinc/41/17/61/559411761.db2.gz BNWJLNYFHVJBBS-PMACEKPBSA-N 2 1 369.513 2.293 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917239 560899176 /nfs/dbraw/zinc/89/91/76/560899176.db2.gz APZXKZLHPIASCY-XLIONFOSSA-N 2 1 364.534 2.006 20 30 FEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502652 562332966 /nfs/dbraw/zinc/33/29/66/562332966.db2.gz JZSHEZPMCWWQLS-IRXDYDNUSA-N 2 1 356.470 2.190 20 30 FEEDMP C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1 ZINC000814845201 674883733 /nfs/dbraw/zinc/88/37/33/674883733.db2.gz HNAWAPTUJBWMBZ-MRXNPFEDSA-N 2 1 361.559 2.443 20 30 FEEDMP C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1 ZINC000814845201 674883736 /nfs/dbraw/zinc/88/37/36/674883736.db2.gz HNAWAPTUJBWMBZ-MRXNPFEDSA-N 2 1 361.559 2.443 20 30 FEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000580553181 671817560 /nfs/dbraw/zinc/81/75/60/671817560.db2.gz VSLJBBPLFYQLDO-INIZCTEOSA-N 2 1 369.303 2.429 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158085005 672265834 /nfs/dbraw/zinc/26/58/34/672265834.db2.gz KCOQBOPEPCMKFS-ICSRJNTNSA-N 2 1 350.551 2.432 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CCC(O)CC1 ZINC000262355636 672913906 /nfs/dbraw/zinc/91/39/06/672913906.db2.gz FUOZMBQOZYQJEM-YOEHRIQHSA-N 2 1 350.532 2.163 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000303906364 673019219 /nfs/dbraw/zinc/01/92/19/673019219.db2.gz ZXJGRDKBFHWBPL-SJORKVTESA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303906364 673019225 /nfs/dbraw/zinc/01/92/25/673019225.db2.gz ZXJGRDKBFHWBPL-SJORKVTESA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303906364 673019231 /nfs/dbraw/zinc/01/92/31/673019231.db2.gz ZXJGRDKBFHWBPL-SJORKVTESA-N 3 1 363.575 2.349 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305713455 673021851 /nfs/dbraw/zinc/02/18/51/673021851.db2.gz KZASGCNYDMEAIU-UHFFFAOYSA-N 2 1 368.884 2.137 20 30 FEEDMP C=C(Br)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632552 680060131 /nfs/dbraw/zinc/06/01/31/680060131.db2.gz RHRYURLGBQTBOY-RBSFLKMASA-N 2 1 370.335 2.206 20 30 FEEDMP C=C(Br)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016632552 680060130 /nfs/dbraw/zinc/06/01/30/680060130.db2.gz RHRYURLGBQTBOY-RBSFLKMASA-N 2 1 370.335 2.206 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001026855357 680351794 /nfs/dbraw/zinc/35/17/94/680351794.db2.gz FHRTYXTXIIKJLI-JCGIZDLHSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027893041 680363475 /nfs/dbraw/zinc/36/34/75/680363475.db2.gz KWKOETAWXQULEM-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001027893041 680363478 /nfs/dbraw/zinc/36/34/78/680363478.db2.gz KWKOETAWXQULEM-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027893041 680363480 /nfs/dbraw/zinc/36/34/80/680363480.db2.gz KWKOETAWXQULEM-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027893041 680363484 /nfs/dbraw/zinc/36/34/84/680363484.db2.gz KWKOETAWXQULEM-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001005407124 680574535 /nfs/dbraw/zinc/57/45/35/680574535.db2.gz MFPRUUISPNIHEU-RDTXWAMCSA-N 2 1 360.527 2.383 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000876719814 686252807 /nfs/dbraw/zinc/25/28/07/686252807.db2.gz WEMOIUDNWXEEGZ-RVKKMQEKSA-N 2 1 365.905 2.382 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000057152821 540773630 /nfs/dbraw/zinc/77/36/30/540773630.db2.gz XRNKEQMWBPMKMA-UHFFFAOYSA-N 2 1 369.509 2.075 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000153980023 544849147 /nfs/dbraw/zinc/84/91/47/544849147.db2.gz SLGBRUKDWIZDSR-AWEZNQCLSA-N 2 1 365.481 2.130 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000153980023 544849152 /nfs/dbraw/zinc/84/91/52/544849152.db2.gz SLGBRUKDWIZDSR-AWEZNQCLSA-N 2 1 365.481 2.130 20 30 FEEDMP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000171671615 327154002 /nfs/dbraw/zinc/15/40/02/327154002.db2.gz AGZXUHRPLNKYFJ-HXUWFJFHSA-N 2 1 352.482 2.471 20 30 FEEDMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000268170401 329393075 /nfs/dbraw/zinc/39/30/75/329393075.db2.gz QMKZAXZEYAZGLK-OXJNMPFZSA-N 2 1 369.513 2.114 20 30 FEEDMP Cc1[nH+]ccn1CCCCN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000367208170 330230109 /nfs/dbraw/zinc/23/01/09/330230109.db2.gz HWOOSKKKJNPYMW-UHFFFAOYSA-N 2 1 351.454 2.188 20 30 FEEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155928224 545584762 /nfs/dbraw/zinc/58/47/62/545584762.db2.gz NRJRRZONLOXIJR-WFXMLNOXSA-N 2 1 356.514 2.082 20 30 FEEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160704574 546065316 /nfs/dbraw/zinc/06/53/16/546065316.db2.gz OVZZVIQICPVGKL-UHFFFAOYSA-N 2 1 373.423 2.339 20 30 FEEDMP C[N@@H+]1CCCN(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160704574 546065319 /nfs/dbraw/zinc/06/53/19/546065319.db2.gz OVZZVIQICPVGKL-UHFFFAOYSA-N 2 1 373.423 2.339 20 30 FEEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160704574 546065323 /nfs/dbraw/zinc/06/53/23/546065323.db2.gz OVZZVIQICPVGKL-UHFFFAOYSA-N 2 1 373.423 2.339 20 30 FEEDMP CN1CC[N@@H+](CCCNC(=[NH2+])Nc2ccccn2)[C@H](c2ccccc2)C1 ZINC000170913743 546182361 /nfs/dbraw/zinc/18/23/61/546182361.db2.gz BCIWIUBWMARZIH-SFHVURJKSA-N 2 1 352.486 2.187 20 30 FEEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])Nc2ccccn2)[C@H](c2ccccc2)C1 ZINC000170913743 546182362 /nfs/dbraw/zinc/18/23/62/546182362.db2.gz BCIWIUBWMARZIH-SFHVURJKSA-N 2 1 352.486 2.187 20 30 FEEDMP C[N@H+]1CCN(CCCNC(=[NH2+])Nc2ccccn2)[C@H](c2ccccc2)C1 ZINC000170913743 546182366 /nfs/dbraw/zinc/18/23/66/546182366.db2.gz BCIWIUBWMARZIH-SFHVURJKSA-N 2 1 352.486 2.187 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000170913754 546182548 /nfs/dbraw/zinc/18/25/48/546182548.db2.gz UWOFSUPLOHZMRY-UHFFFAOYSA-N 2 1 352.486 2.016 20 30 FEEDMP N#CCCn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(-c2ccccc2)n1 ZINC000172043860 546235231 /nfs/dbraw/zinc/23/52/31/546235231.db2.gz XBHRTKXQQKNEHN-UHFFFAOYSA-N 2 1 367.497 2.400 20 30 FEEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C#N ZINC000180997389 547227308 /nfs/dbraw/zinc/22/73/08/547227308.db2.gz FDLATKATPKXRKH-FQEVSTJZSA-N 2 1 351.450 2.423 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264344630 549994435 /nfs/dbraw/zinc/99/44/35/549994435.db2.gz WBFMFLWSKOWUFB-FQEVSTJZSA-N 2 1 353.510 2.012 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300383 550435625 /nfs/dbraw/zinc/43/56/25/550435625.db2.gz POOYRJOBGWFPSW-RXVVDRJESA-N 2 1 353.510 2.358 20 30 FEEDMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)Nc1cc(F)ccc1F ZINC000288727085 552201692 /nfs/dbraw/zinc/20/16/92/552201692.db2.gz MVJCWIZHXMYQIU-UHFFFAOYSA-N 2 1 374.439 2.299 20 30 FEEDMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1OCCCC#N ZINC000289467646 552326134 /nfs/dbraw/zinc/32/61/34/552326134.db2.gz PCJJLSKTQYADGL-UHFFFAOYSA-N 2 1 374.529 2.447 20 30 FEEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701378 552750797 /nfs/dbraw/zinc/75/07/97/552750797.db2.gz CKJZGIGHSBJULD-FQEVSTJZSA-N 2 1 350.470 2.386 20 30 FEEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701378 552750799 /nfs/dbraw/zinc/75/07/99/552750799.db2.gz CKJZGIGHSBJULD-FQEVSTJZSA-N 2 1 350.470 2.386 20 30 FEEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701378 552750801 /nfs/dbraw/zinc/75/08/01/552750801.db2.gz CKJZGIGHSBJULD-FQEVSTJZSA-N 2 1 350.470 2.386 20 30 FEEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000292701378 552750803 /nfs/dbraw/zinc/75/08/03/552750803.db2.gz CKJZGIGHSBJULD-FQEVSTJZSA-N 2 1 350.470 2.386 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#N)[nH]1 ZINC000501921021 561607963 /nfs/dbraw/zinc/60/79/63/561607963.db2.gz MARYVKCYOGWHKQ-UHFFFAOYSA-N 2 1 357.502 2.155 20 30 FEEDMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000328729332 553813693 /nfs/dbraw/zinc/81/36/93/553813693.db2.gz WBNMXKDOHLCRFM-SFHVURJKSA-N 2 1 359.518 2.282 20 30 FEEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000329396343 553938307 /nfs/dbraw/zinc/93/83/07/553938307.db2.gz VZRJPSVQVKKLAT-LNLFQRSKSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000329396343 553938314 /nfs/dbraw/zinc/93/83/14/553938314.db2.gz VZRJPSVQVKKLAT-LNLFQRSKSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000329396343 553938318 /nfs/dbraw/zinc/93/83/18/553938318.db2.gz VZRJPSVQVKKLAT-LNLFQRSKSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000329778133 554004036 /nfs/dbraw/zinc/00/40/36/554004036.db2.gz PTFTVKOQKZYWHZ-VUCRHFMTSA-N 2 1 366.550 2.393 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000329778133 554004039 /nfs/dbraw/zinc/00/40/39/554004039.db2.gz PTFTVKOQKZYWHZ-VUCRHFMTSA-N 2 1 366.550 2.393 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329992965 554045787 /nfs/dbraw/zinc/04/57/87/554045787.db2.gz YBAOEFLFHAPODG-CALCHBBNSA-N 2 1 372.513 2.464 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000329992965 554045789 /nfs/dbraw/zinc/04/57/89/554045789.db2.gz YBAOEFLFHAPODG-CALCHBBNSA-N 2 1 372.513 2.464 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519235132 562127733 /nfs/dbraw/zinc/12/77/33/562127733.db2.gz YLIQVPNHVPVVII-YZGWKJHDSA-N 2 1 366.509 2.391 20 30 FEEDMP C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000374602552 557905493 /nfs/dbraw/zinc/90/54/93/557905493.db2.gz IFJHEHSFRJMBJY-GOSISDBHSA-N 2 1 356.514 2.427 20 30 FEEDMP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000521995354 562188497 /nfs/dbraw/zinc/18/84/97/562188497.db2.gz DUEHCIICLAVISC-VQTJNVASSA-N 2 1 358.530 2.083 20 30 FEEDMP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000521995354 562188498 /nfs/dbraw/zinc/18/84/98/562188498.db2.gz DUEHCIICLAVISC-VQTJNVASSA-N 2 1 358.530 2.083 20 30 FEEDMP CN(C[C@H]1CCC[NH+]1C)c1nc(N(C)C[C@@H]2CCC[N@H+]2C)ccc1C#N ZINC000420645137 559495068 /nfs/dbraw/zinc/49/50/68/559495068.db2.gz ZWQMRLBMNLEGMG-ZWKOTPCHSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@H]1CCC[N@@H+]1C)c1nc(N(C)C[C@@H]2CCC[NH+]2C)ccc1C#N ZINC000420645137 559495069 /nfs/dbraw/zinc/49/50/69/559495069.db2.gz ZWQMRLBMNLEGMG-ZWKOTPCHSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@H]1CCC[N@H+]1C)c1nc(N(C)C[C@@H]2CCC[NH+]2C)ccc1C#N ZINC000420645137 559495070 /nfs/dbraw/zinc/49/50/70/559495070.db2.gz ZWQMRLBMNLEGMG-ZWKOTPCHSA-N 2 1 356.518 2.014 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305657 /nfs/dbraw/zinc/30/56/57/560305657.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305658 /nfs/dbraw/zinc/30/56/58/560305658.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414496 560305659 /nfs/dbraw/zinc/30/56/59/560305659.db2.gz DDBXFMYWJUSBKQ-VFPNFYTQSA-N 2 1 360.542 2.241 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541691 560313253 /nfs/dbraw/zinc/31/32/53/560313253.db2.gz ZWQKAHBKUOWABO-IBGZPJMESA-N 2 1 372.488 2.464 20 30 FEEDMP CC(C)CN1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955800 670792670 /nfs/dbraw/zinc/79/26/70/670792670.db2.gz HWQMXJXFDBQOTF-SFHVURJKSA-N 2 1 363.527 2.290 20 30 FEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1cc(Cl)cn1C ZINC000261950231 672905966 /nfs/dbraw/zinc/90/59/66/672905966.db2.gz HEWHVWBILFYJFZ-MRXNPFEDSA-N 2 1 357.955 2.123 20 30 FEEDMP C[C@@H]1C[N@H+](C)CC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000752157890 680225813 /nfs/dbraw/zinc/22/58/13/680225813.db2.gz FGNZOLGOWWUQSX-OAHLLOKOSA-N 2 1 359.543 2.053 20 30 FEEDMP C[C@@H]1C[N@@H+](C)CC1=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000752157890 680225816 /nfs/dbraw/zinc/22/58/16/680225816.db2.gz FGNZOLGOWWUQSX-OAHLLOKOSA-N 2 1 359.543 2.053 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001027417401 680356319 /nfs/dbraw/zinc/35/63/19/680356319.db2.gz XPJIHWTVWLKORL-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001027417401 680356323 /nfs/dbraw/zinc/35/63/23/680356323.db2.gz XPJIHWTVWLKORL-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001027417401 680356328 /nfs/dbraw/zinc/35/63/28/680356328.db2.gz XPJIHWTVWLKORL-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001028552568 680375677 /nfs/dbraw/zinc/37/56/77/680375677.db2.gz QHSGVMKXNASANO-JCGIZDLHSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001028552568 680375682 /nfs/dbraw/zinc/37/56/82/680375682.db2.gz QHSGVMKXNASANO-JCGIZDLHSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001028552568 680375686 /nfs/dbraw/zinc/37/56/86/680375686.db2.gz QHSGVMKXNASANO-JCGIZDLHSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC000999210681 680399268 /nfs/dbraw/zinc/39/92/68/680399268.db2.gz UUWFXVXJGYOXPM-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC(C)(C)[NH+]=C(NCc1cccs1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000912506510 685388550 /nfs/dbraw/zinc/38/85/50/685388550.db2.gz OBZRIQAEANHVMA-HUUCEWRRSA-N 2 1 350.532 2.445 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924989935 684513671 /nfs/dbraw/zinc/51/36/71/684513671.db2.gz VYHSBJIOXYVRLY-QGZVFWFLSA-N 2 1 353.507 2.252 20 30 FEEDMP CC(C)[N@H+](C)Cc1nn(-c2ncc(CC#N)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680175 719648253 /nfs/dbraw/zinc/64/82/53/719648253.db2.gz RGJGAIJABMQDAT-UHFFFAOYSA-N 2 1 358.877 2.473 20 30 FEEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(CC#N)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680175 719648259 /nfs/dbraw/zinc/64/82/59/719648259.db2.gz RGJGAIJABMQDAT-UHFFFAOYSA-N 2 1 358.877 2.473 20 30 FEEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000066568415 541337409 /nfs/dbraw/zinc/33/74/09/541337409.db2.gz VOCWLIWUZWSREE-UHFFFAOYSA-N 2 1 354.498 2.324 20 30 FEEDMP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000102068854 543059296 /nfs/dbraw/zinc/05/92/96/543059296.db2.gz JMRDZQNVBXVNAN-UHFFFAOYSA-N 2 1 369.513 2.260 20 30 FEEDMP CC[N@H+](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000089676158 325326864 /nfs/dbraw/zinc/32/68/64/325326864.db2.gz YKEAYSZPLPEGCW-QGZVFWFLSA-N 2 1 354.458 2.065 20 30 FEEDMP CC[N@@H+](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000089676158 325326866 /nfs/dbraw/zinc/32/68/66/325326866.db2.gz YKEAYSZPLPEGCW-QGZVFWFLSA-N 2 1 354.458 2.065 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C#N)c1 ZINC000173790576 327284244 /nfs/dbraw/zinc/28/42/44/327284244.db2.gz OERHERBQRVHZOC-LJQANCHMSA-N 2 1 357.502 2.116 20 30 FEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000160679705 546062379 /nfs/dbraw/zinc/06/23/79/546062379.db2.gz CFZNFUJFZFFXHU-ZDUSSCGKSA-N 2 1 373.423 2.195 20 30 FEEDMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000170908275 546181506 /nfs/dbraw/zinc/18/15/06/546181506.db2.gz QISNYPSMAMJDAY-UHFFFAOYSA-N 2 1 368.481 2.132 20 30 FEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571814 547515387 /nfs/dbraw/zinc/51/53/87/547515387.db2.gz APIWIKDRJDTLOB-WRURNZQNSA-N 2 1 362.562 2.042 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc2cc(Cl)ccc2s1 ZINC000264087960 549977975 /nfs/dbraw/zinc/97/79/75/549977975.db2.gz KBDILAQJBHMPFD-UHFFFAOYSA-N 2 1 367.906 2.076 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000264153341 549985605 /nfs/dbraw/zinc/98/56/05/549985605.db2.gz ZWUGRYDQOBQKQZ-IBGZPJMESA-N 2 1 371.529 2.201 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000264319456 549993983 /nfs/dbraw/zinc/99/39/83/549993983.db2.gz AJIZTWSJOKZSHE-UHFFFAOYSA-N 2 1 368.485 2.415 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300380 550435743 /nfs/dbraw/zinc/43/57/43/550435743.db2.gz POOYRJOBGWFPSW-NQIIRXRSSA-N 2 1 353.510 2.358 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856977 550559804 /nfs/dbraw/zinc/55/98/04/550559804.db2.gz SNZBKDXBQBEGQK-QUCCMNQESA-N 2 1 367.497 2.143 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856977 550559805 /nfs/dbraw/zinc/55/98/05/550559805.db2.gz SNZBKDXBQBEGQK-QUCCMNQESA-N 2 1 367.497 2.143 20 30 FEEDMP COc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCCCC#N ZINC000282210549 551196003 /nfs/dbraw/zinc/19/60/03/551196003.db2.gz DJERFSYMIKWWFC-UHFFFAOYSA-N 2 1 374.529 2.493 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000292147861 552698436 /nfs/dbraw/zinc/69/84/36/552698436.db2.gz NEANFMYYSNLOKG-RXVVDRJESA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147861 552698437 /nfs/dbraw/zinc/69/84/37/552698437.db2.gz NEANFMYYSNLOKG-RXVVDRJESA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147861 552698438 /nfs/dbraw/zinc/69/84/38/552698438.db2.gz NEANFMYYSNLOKG-RXVVDRJESA-N 2 1 360.498 2.191 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000296422192 553157103 /nfs/dbraw/zinc/15/71/03/553157103.db2.gz SESSVAIUBVQIQR-UHFFFAOYSA-N 2 1 362.543 2.214 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298732908 553465419 /nfs/dbraw/zinc/46/54/19/553465419.db2.gz MJBMIVXYLRFZIW-PMACEKPBSA-N 2 1 369.513 2.258 20 30 FEEDMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000328729331 553813379 /nfs/dbraw/zinc/81/33/79/553813379.db2.gz WBNMXKDOHLCRFM-GOSISDBHSA-N 2 1 359.518 2.282 20 30 FEEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000507861286 561743732 /nfs/dbraw/zinc/74/37/32/561743732.db2.gz PENDYWZCYRSPBF-UHFFFAOYSA-N 2 1 370.497 2.002 20 30 FEEDMP N#CCCn1cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719980 554983750 /nfs/dbraw/zinc/98/37/50/554983750.db2.gz QSEXEWYMBLTIPS-VQTJNVASSA-N 2 1 365.481 2.417 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719980 554983751 /nfs/dbraw/zinc/98/37/51/554983751.db2.gz QSEXEWYMBLTIPS-VQTJNVASSA-N 2 1 365.481 2.417 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000364147209 555258680 /nfs/dbraw/zinc/25/86/80/555258680.db2.gz TXMSEDGKILSLHI-STQMWFEESA-N 2 1 373.432 2.371 20 30 FEEDMP FC(F)OC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512838129 561917429 /nfs/dbraw/zinc/91/74/29/561917429.db2.gz BKYSENXZCUCVKO-KBPBESRZSA-N 2 1 352.372 2.112 20 30 FEEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000371085409 557070710 /nfs/dbraw/zinc/07/07/10/557070710.db2.gz IWKPNNNAYJVBBZ-UHFFFAOYSA-N 2 1 354.498 2.484 20 30 FEEDMP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000517345568 562086088 /nfs/dbraw/zinc/08/60/88/562086088.db2.gz HFKIYCJBBYRJLW-QGZVFWFLSA-N 2 1 358.461 2.142 20 30 FEEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000371425638 557182658 /nfs/dbraw/zinc/18/26/58/557182658.db2.gz UFPGKLKGGKPKDY-FQEVSTJZSA-N 2 1 356.514 2.287 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC ZINC000438205356 559975542 /nfs/dbraw/zinc/97/55/42/559975542.db2.gz AONVMDNYVDATFL-QGZVFWFLSA-N 2 1 373.501 2.447 20 30 FEEDMP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000445864475 560135675 /nfs/dbraw/zinc/13/56/75/560135675.db2.gz VNBHMTRKYWQJGX-UHFFFAOYSA-N 2 1 369.513 2.260 20 30 FEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917241 560899102 /nfs/dbraw/zinc/89/91/02/560899102.db2.gz APZXKZLHPIASCY-YLJYHZDGSA-N 2 1 364.534 2.006 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000469866534 560967276 /nfs/dbraw/zinc/96/72/76/560967276.db2.gz ZDOSTCSPVXRLPU-ICSRJNTNSA-N 2 1 357.498 2.332 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000472269389 561022478 /nfs/dbraw/zinc/02/24/78/561022478.db2.gz VQMQTMGNXOHQNV-LJQANCHMSA-N 2 1 358.486 2.320 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968584 567889916 /nfs/dbraw/zinc/88/99/16/567889916.db2.gz OVGPMKKISSOSBZ-GIVPXCGWSA-N 2 1 371.525 2.415 20 30 FEEDMP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710779 672474593 /nfs/dbraw/zinc/47/45/93/672474593.db2.gz WDVHHORDYBVTOL-HDICACEKSA-N 2 1 351.535 2.232 20 30 FEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000303771096 673017326 /nfs/dbraw/zinc/01/73/26/673017326.db2.gz CJVKQJJKQMFUFM-CQSZACIVSA-N 2 1 354.882 2.432 20 30 FEEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000303771095 673017648 /nfs/dbraw/zinc/01/76/48/673017648.db2.gz CJVKQJJKQMFUFM-AWEZNQCLSA-N 2 1 354.882 2.432 20 30 FEEDMP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001026496695 680345124 /nfs/dbraw/zinc/34/51/24/680345124.db2.gz OUQKHGMQZPYYNG-XSCHDIRWSA-N 2 1 358.324 2.252 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000836488142 680475825 /nfs/dbraw/zinc/47/58/25/680475825.db2.gz HGJAFIJRINVNQT-KRWDZBQOSA-N 2 1 350.894 2.197 20 30 FEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551793 682358650 /nfs/dbraw/zinc/35/86/50/682358650.db2.gz LYVDXLGCFAUWDH-KURKYZTESA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551793 682358655 /nfs/dbraw/zinc/35/86/55/682358655.db2.gz LYVDXLGCFAUWDH-KURKYZTESA-N 2 1 369.937 2.019 20 30 FEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792556615 682820365 /nfs/dbraw/zinc/82/03/65/682820365.db2.gz VWIKLBMKSDMMSZ-GPANFISMSA-N 2 1 357.420 2.006 20 30 FEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792556615 682820372 /nfs/dbraw/zinc/82/03/72/682820372.db2.gz VWIKLBMKSDMMSZ-GPANFISMSA-N 2 1 357.420 2.006 20 30 FEEDMP N#Cc1ccsc1NC(=O)CCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931293218 684256740 /nfs/dbraw/zinc/25/67/40/684256740.db2.gz UPUCEKBGIOVQAI-UHFFFAOYSA-N 2 1 362.499 2.135 20 30 FEEDMP COCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1 ZINC000879123263 686746231 /nfs/dbraw/zinc/74/62/31/686746231.db2.gz UFLYPNRSLCVOEG-UHFFFAOYSA-N 2 1 364.515 2.239 20 30 FEEDMP N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)C[NH2+]CCC2 ZINC001164723637 720330047 /nfs/dbraw/zinc/33/00/47/720330047.db2.gz IHKGSIHGOPRAMG-RTWAWAEBSA-N 2 1 374.492 2.237 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000173794009 327284596 /nfs/dbraw/zinc/28/45/96/327284596.db2.gz OZNKSMROTICFMI-IBGZPJMESA-N 2 1 357.502 2.116 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000171715381 546220248 /nfs/dbraw/zinc/22/02/48/546220248.db2.gz BWMGZDLTOHFQKL-KRWDZBQOSA-N 2 1 356.514 2.383 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000264104399 549979453 /nfs/dbraw/zinc/97/94/53/549979453.db2.gz PBZZJZVZPBXMOZ-GOSISDBHSA-N 2 1 374.529 2.132 20 30 FEEDMP C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273314704 550494182 /nfs/dbraw/zinc/49/41/82/550494182.db2.gz VGUOPGHVZMPHJC-QFBILLFUSA-N 2 1 354.498 2.417 20 30 FEEDMP C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273314704 550494183 /nfs/dbraw/zinc/49/41/83/550494183.db2.gz VGUOPGHVZMPHJC-QFBILLFUSA-N 2 1 354.498 2.417 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504316258 561656295 /nfs/dbraw/zinc/65/62/95/561656295.db2.gz GBUZVCRBLDHNFP-VQTJNVASSA-N 2 1 369.513 2.258 20 30 FEEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000303255482 553744248 /nfs/dbraw/zinc/74/42/48/553744248.db2.gz GJAUKVUNAZAXGI-UHFFFAOYSA-N 2 1 357.546 2.371 20 30 FEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CCC[NH+]1C ZINC000329159325 553891282 /nfs/dbraw/zinc/89/12/82/553891282.db2.gz DFYMGWLZHZFWTE-HDMKZQKVSA-N 2 1 365.547 2.197 20 30 FEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+](C)[C@@H]2CCSC2)CCC[N@@H+]1C ZINC000329159325 553891286 /nfs/dbraw/zinc/89/12/86/553891286.db2.gz DFYMGWLZHZFWTE-HDMKZQKVSA-N 2 1 365.547 2.197 20 30 FEEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+](C)[C@@H]2CCSC2)CCC[N@H+]1C ZINC000329159325 553891291 /nfs/dbraw/zinc/89/12/91/553891291.db2.gz DFYMGWLZHZFWTE-HDMKZQKVSA-N 2 1 365.547 2.197 20 30 FEEDMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329206762 553902136 /nfs/dbraw/zinc/90/21/36/553902136.db2.gz YGWOBMQZIJKTRL-OALUTQOASA-N 2 1 372.513 2.331 20 30 FEEDMP FC(F)OC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512838130 561917404 /nfs/dbraw/zinc/91/74/04/561917404.db2.gz BKYSENXZCUCVKO-OKILXGFUSA-N 2 1 352.372 2.112 20 30 FEEDMP FC(F)OC[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](COC(F)F)C2)C1 ZINC000512838130 561917405 /nfs/dbraw/zinc/91/74/05/561917405.db2.gz BKYSENXZCUCVKO-OKILXGFUSA-N 2 1 352.372 2.112 20 30 FEEDMP FC(F)OC[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](COC(F)F)C2)C1 ZINC000512838130 561917406 /nfs/dbraw/zinc/91/74/06/561917406.db2.gz BKYSENXZCUCVKO-OKILXGFUSA-N 2 1 352.372 2.112 20 30 FEEDMP C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147555 556793511 /nfs/dbraw/zinc/79/35/11/556793511.db2.gz DNTHEZAFAVRWQC-NQIIRXRSSA-N 2 1 356.514 2.285 20 30 FEEDMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000516856937 562060713 /nfs/dbraw/zinc/06/07/13/562060713.db2.gz IMBUGGINHLXDAP-PXNSSMCTSA-N 2 1 369.513 2.164 20 30 FEEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C#Cc3ccccc3)CC2)CC1 ZINC000371084566 557069876 /nfs/dbraw/zinc/06/98/76/557069876.db2.gz HEMJQXKDXPSAHT-UHFFFAOYSA-N 2 1 353.510 2.351 20 30 FEEDMP C#Cc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)cc1 ZINC000377612719 558377414 /nfs/dbraw/zinc/37/74/14/558377414.db2.gz BUQYXNQEINASOW-UHFFFAOYSA-N 2 1 351.498 2.142 20 30 FEEDMP C[NH+]=C(NCc1cc(Br)cs1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167463 670655627 /nfs/dbraw/zinc/65/56/27/670655627.db2.gz PBRVWKKLOPMLJP-NSHDSACASA-N 2 1 357.321 2.412 20 30 FEEDMP C[NH+]=C(NCc1cc(Br)cs1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167463 670655632 /nfs/dbraw/zinc/65/56/32/670655632.db2.gz PBRVWKKLOPMLJP-NSHDSACASA-N 2 1 357.321 2.412 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC(F)F ZINC000134028899 672118482 /nfs/dbraw/zinc/11/84/82/672118482.db2.gz SMANIHLVMICWKB-ZDUSSCGKSA-N 2 1 356.417 2.185 20 30 FEEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000536932955 673381915 /nfs/dbraw/zinc/38/19/15/673381915.db2.gz DETJYJBUKFMHOO-CALCHBBNSA-N 2 1 355.548 2.223 20 30 FEEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000536932955 673381921 /nfs/dbraw/zinc/38/19/21/673381921.db2.gz DETJYJBUKFMHOO-CALCHBBNSA-N 2 1 355.548 2.223 20 30 FEEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCC#N ZINC000746463421 673879425 /nfs/dbraw/zinc/87/94/25/673879425.db2.gz LSQFILHTZIQMJE-UHFFFAOYSA-N 2 1 350.894 2.312 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759558 680072363 /nfs/dbraw/zinc/07/23/63/680072363.db2.gz CZPZSRWGSGIYKN-AIANPOQGSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759558 680072367 /nfs/dbraw/zinc/07/23/67/680072367.db2.gz CZPZSRWGSGIYKN-AIANPOQGSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759558 680072371 /nfs/dbraw/zinc/07/23/71/680072371.db2.gz CZPZSRWGSGIYKN-AIANPOQGSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759558 680072375 /nfs/dbraw/zinc/07/23/75/680072375.db2.gz CZPZSRWGSGIYKN-AIANPOQGSA-N 2 1 370.335 2.348 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC000985442696 680449168 /nfs/dbraw/zinc/44/91/68/680449168.db2.gz QKCXSGBSCBLOLY-RDTXWAMCSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC000985442696 680449171 /nfs/dbraw/zinc/44/91/71/680449171.db2.gz QKCXSGBSCBLOLY-RDTXWAMCSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC000985442696 680449173 /nfs/dbraw/zinc/44/91/73/680449173.db2.gz QKCXSGBSCBLOLY-RDTXWAMCSA-N 2 1 360.527 2.383 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376669 680459900 /nfs/dbraw/zinc/45/99/00/680459900.db2.gz INTGIFBTYDIANM-ROUUACIJSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376669 680459903 /nfs/dbraw/zinc/45/99/03/680459903.db2.gz INTGIFBTYDIANM-ROUUACIJSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376669 680459907 /nfs/dbraw/zinc/45/99/07/680459907.db2.gz INTGIFBTYDIANM-ROUUACIJSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376669 680459910 /nfs/dbraw/zinc/45/99/10/680459910.db2.gz INTGIFBTYDIANM-ROUUACIJSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000837360061 680592134 /nfs/dbraw/zinc/59/21/34/680592134.db2.gz JUKKDKUOAYJUKI-QGZVFWFLSA-N 2 1 350.894 2.197 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000837360061 680592135 /nfs/dbraw/zinc/59/21/35/680592135.db2.gz JUKKDKUOAYJUKI-QGZVFWFLSA-N 2 1 350.894 2.197 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000960641890 682055725 /nfs/dbraw/zinc/05/57/25/682055725.db2.gz NRBBFKNLDSIMSE-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000960641890 682055730 /nfs/dbraw/zinc/05/57/30/682055730.db2.gz NRBBFKNLDSIMSE-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000960641890 682055740 /nfs/dbraw/zinc/05/57/40/682055740.db2.gz NRBBFKNLDSIMSE-IIDMSEBBSA-N 2 1 360.527 2.383 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821464 542889051 /nfs/dbraw/zinc/88/90/51/542889051.db2.gz KQDGPXITWIHZFY-INIZCTEOSA-N 2 1 373.501 2.020 20 30 FEEDMP N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)n2c1 ZINC000123184651 543747730 /nfs/dbraw/zinc/74/77/30/543747730.db2.gz LWUOLWFWLXUTFU-UHFFFAOYSA-N 2 1 361.449 2.328 20 30 FEEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)CC1 ZINC000190778121 328232061 /nfs/dbraw/zinc/23/20/61/328232061.db2.gz VNOYRZUQMDORFB-UHFFFAOYSA-N 2 1 351.498 2.324 20 30 FEEDMP COc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N ZINC000182556261 547513216 /nfs/dbraw/zinc/51/32/16/547513216.db2.gz ABUQZLFYLSLBAP-YOFSQIOKSA-N 2 1 354.498 2.310 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183684845 547701577 /nfs/dbraw/zinc/70/15/77/547701577.db2.gz MRBHKTNZVWZWDS-ZIAGYGMSSA-N 2 1 355.442 2.232 20 30 FEEDMP C=CC[N@@H+](CCOC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000191145218 548341141 /nfs/dbraw/zinc/34/11/41/548341141.db2.gz UPDUNEOHHIBTJH-UHFFFAOYSA-N 2 1 359.514 2.210 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245970678 549029324 /nfs/dbraw/zinc/02/93/24/549029324.db2.gz FLSJFAHDOGXALV-IAGOWNOFSA-N 2 1 364.534 2.363 20 30 FEEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1cc(F)ccc1F ZINC000262335049 549811498 /nfs/dbraw/zinc/81/14/98/549811498.db2.gz ZDJWAKCCEMJIEP-INIZCTEOSA-N 2 1 360.408 2.458 20 30 FEEDMP C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@H+](C)C3)ccc2C#N)C1 ZINC000302892232 553740794 /nfs/dbraw/zinc/74/07/94/553740794.db2.gz PZJDSSPYWHCBAI-IRXDYDNUSA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@@H](CNc2ccc(C#N)c(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000302892232 553740797 /nfs/dbraw/zinc/74/07/97/553740797.db2.gz PZJDSSPYWHCBAI-IRXDYDNUSA-N 2 1 356.518 2.461 20 30 FEEDMP C[NH+]1CCC[C@@H](CNc2ccc(C#N)c(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000302892232 553740801 /nfs/dbraw/zinc/74/08/01/553740801.db2.gz PZJDSSPYWHCBAI-IRXDYDNUSA-N 2 1 356.518 2.461 20 30 FEEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000329396176 553938266 /nfs/dbraw/zinc/93/82/66/553938266.db2.gz VZRJPSVQVKKLAT-AOIWGVFYSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000329396176 553938270 /nfs/dbraw/zinc/93/82/70/553938270.db2.gz VZRJPSVQVKKLAT-AOIWGVFYSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000329396176 553938275 /nfs/dbraw/zinc/93/82/75/553938275.db2.gz VZRJPSVQVKKLAT-AOIWGVFYSA-N 2 1 366.550 2.084 20 30 FEEDMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000329818336 554011495 /nfs/dbraw/zinc/01/14/95/554011495.db2.gz XALCJMVJEUSQLF-XLIONFOSSA-N 2 1 369.513 2.463 20 30 FEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329992818 554045748 /nfs/dbraw/zinc/04/57/48/554045748.db2.gz KSKMQUXUSJZSTE-UHFFFAOYSA-N 2 1 356.474 2.402 20 30 FEEDMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C ZINC000330227974 554089226 /nfs/dbraw/zinc/08/92/26/554089226.db2.gz PLBUGPSUXSBDQU-LULLPPNCSA-N 2 1 366.550 2.083 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)CC1 ZINC000363816382 555192127 /nfs/dbraw/zinc/19/21/27/555192127.db2.gz HKYPTDUWZOZGSG-SFHVURJKSA-N 2 1 354.498 2.210 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000515832548 562023093 /nfs/dbraw/zinc/02/30/93/562023093.db2.gz ZSWKROPDTAWKAA-IBGZPJMESA-N 2 1 361.486 2.015 20 30 FEEDMP C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147554 556793487 /nfs/dbraw/zinc/79/34/87/556793487.db2.gz DNTHEZAFAVRWQC-GHTZIAJQSA-N 2 1 356.514 2.285 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000373547636 557716006 /nfs/dbraw/zinc/71/60/06/557716006.db2.gz VJMNZKHNNVITCW-HKUYNNGSSA-N 2 1 357.502 2.024 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000520709474 562162079 /nfs/dbraw/zinc/16/20/79/562162079.db2.gz PPSKXKNHPWXWKO-UHFFFAOYSA-N 2 1 356.514 2.473 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000375472062 558033322 /nfs/dbraw/zinc/03/33/22/558033322.db2.gz NAJNLXNPHJUIJC-YDETXVTLSA-N 2 1 360.542 2.480 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472062 558033323 /nfs/dbraw/zinc/03/33/23/558033323.db2.gz NAJNLXNPHJUIJC-YDETXVTLSA-N 2 1 360.542 2.480 20 30 FEEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472062 558033325 /nfs/dbraw/zinc/03/33/25/558033325.db2.gz NAJNLXNPHJUIJC-YDETXVTLSA-N 2 1 360.542 2.480 20 30 FEEDMP CCN(CCC#N)C(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766674 558415592 /nfs/dbraw/zinc/41/55/92/558415592.db2.gz LEKQGMLWXYUITK-WOJBJXKFSA-N 2 1 354.498 2.202 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)CC1 ZINC000377819793 558426370 /nfs/dbraw/zinc/42/63/70/558426370.db2.gz ZLODWUBNBHMARW-PCCBWWKXSA-N 2 1 351.494 2.093 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1OC ZINC000415119255 559206289 /nfs/dbraw/zinc/20/62/89/559206289.db2.gz FEQKVCFOYRFXQS-KRWDZBQOSA-N 2 1 357.458 2.147 20 30 FEEDMP C[NH+]=C(NCc1noc(C)n1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262353990 672913922 /nfs/dbraw/zinc/91/39/22/672913922.db2.gz FQGLGVHUWFGDOU-BBRMVZONSA-N 2 1 362.503 2.188 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(Br)c1 ZINC000303971312 673019319 /nfs/dbraw/zinc/01/93/19/673019319.db2.gz DIPLIWOBULFKDA-ZDUSSCGKSA-N 2 1 369.307 2.346 20 30 FEEDMP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000614621887 676184057 /nfs/dbraw/zinc/18/40/57/676184057.db2.gz VAMPATLWQJCUHL-KRWDZBQOSA-N 2 1 360.889 2.452 20 30 FEEDMP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000614621887 676184058 /nfs/dbraw/zinc/18/40/58/676184058.db2.gz VAMPATLWQJCUHL-KRWDZBQOSA-N 2 1 360.889 2.452 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000872178280 684924831 /nfs/dbraw/zinc/92/48/31/684924831.db2.gz UIACEPHLFBXTJH-AWEZNQCLSA-N 2 1 362.865 2.416 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000872178280 684924833 /nfs/dbraw/zinc/92/48/33/684924833.db2.gz UIACEPHLFBXTJH-AWEZNQCLSA-N 2 1 362.865 2.416 20 30 FEEDMP C=CC[C@H](C(=O)OC)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000878174255 686535582 /nfs/dbraw/zinc/53/55/82/686535582.db2.gz MSCVIINHOSFNMV-LJQANCHMSA-N 2 1 351.535 2.232 20 30 FEEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000092820948 542888387 /nfs/dbraw/zinc/88/83/87/542888387.db2.gz OZAHKLVNLVTQDZ-OAQYLSRUSA-N 2 1 369.513 2.428 20 30 FEEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1OC ZINC000134120438 544295080 /nfs/dbraw/zinc/29/50/80/544295080.db2.gz DCBDRQHSKJEHIH-KRWDZBQOSA-N 2 1 362.518 2.129 20 30 FEEDMP C=CC[NH+]1CCC(Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC000485171739 561314285 /nfs/dbraw/zinc/31/42/85/561314285.db2.gz IUPYFAMNZCGNMJ-UHFFFAOYSA-N 2 1 366.513 2.444 20 30 FEEDMP CCN(CCC#N)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189955513 548314997 /nfs/dbraw/zinc/31/49/97/548314997.db2.gz AWMMNZZDUBSOII-ROUUACIJSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000264142241 549984549 /nfs/dbraw/zinc/98/45/49/549984549.db2.gz WWDJXNVECCUMHG-GOSISDBHSA-N 2 1 359.518 2.057 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285626555 551785165 /nfs/dbraw/zinc/78/51/65/551785165.db2.gz QZQOALGBNNGDPQ-OAQYLSRUSA-N 2 1 354.498 2.347 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285626555 551785166 /nfs/dbraw/zinc/78/51/66/551785166.db2.gz QZQOALGBNNGDPQ-OAQYLSRUSA-N 2 1 354.498 2.347 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285626555 551785168 /nfs/dbraw/zinc/78/51/68/551785168.db2.gz QZQOALGBNNGDPQ-OAQYLSRUSA-N 2 1 354.498 2.347 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000296744692 553206006 /nfs/dbraw/zinc/20/60/06/553206006.db2.gz DSVLJYSHYMGYCC-UHFFFAOYSA-N 2 1 371.529 2.285 20 30 FEEDMP C[C@@H]1CN(c2nc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ccc2C#N)C[C@H](C)[NH+]1C ZINC000302890754 553740756 /nfs/dbraw/zinc/74/07/56/553740756.db2.gz PMCIAKQGSWFDNC-WNKDZCFJSA-N 2 1 356.518 2.011 20 30 FEEDMP C[C@@H]1CN(c2ccc(C#N)c(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000302890754 553740758 /nfs/dbraw/zinc/74/07/58/553740758.db2.gz PMCIAKQGSWFDNC-WNKDZCFJSA-N 2 1 356.518 2.011 20 30 FEEDMP C[C@@H]1CN(c2ccc(C#N)c(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000302890754 553740761 /nfs/dbraw/zinc/74/07/61/553740761.db2.gz PMCIAKQGSWFDNC-WNKDZCFJSA-N 2 1 356.518 2.011 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2cccc(Cl)c2)no1 ZINC000304743653 553747647 /nfs/dbraw/zinc/74/76/47/553747647.db2.gz DGGXZRLOPODKNK-CQSZACIVSA-N 2 1 362.865 2.279 20 30 FEEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000329778132 554004125 /nfs/dbraw/zinc/00/41/25/554004125.db2.gz PTFTVKOQKZYWHZ-NUIAMIPMSA-N 2 1 366.550 2.393 20 30 FEEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000329778132 554004127 /nfs/dbraw/zinc/00/41/27/554004127.db2.gz PTFTVKOQKZYWHZ-NUIAMIPMSA-N 2 1 366.550 2.393 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000329778132 554004128 /nfs/dbraw/zinc/00/41/28/554004128.db2.gz PTFTVKOQKZYWHZ-NUIAMIPMSA-N 2 1 366.550 2.393 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000329778132 554004130 /nfs/dbraw/zinc/00/41/30/554004130.db2.gz PTFTVKOQKZYWHZ-NUIAMIPMSA-N 2 1 366.550 2.393 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370711139 556946746 /nfs/dbraw/zinc/94/67/46/556946746.db2.gz WBNLIHNDGOMMPY-UEXGIBASSA-N 2 1 356.514 2.435 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370711139 556946749 /nfs/dbraw/zinc/94/67/49/556946749.db2.gz WBNLIHNDGOMMPY-UEXGIBASSA-N 2 1 356.514 2.435 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000374431857 557883221 /nfs/dbraw/zinc/88/32/21/557883221.db2.gz ZASBXFDSJYZPDE-NEWSRXKRSA-N 2 1 356.470 2.070 20 30 FEEDMP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778976 557929993 /nfs/dbraw/zinc/92/99/93/557929993.db2.gz KBPOVMDUFNXWCE-FQEVSTJZSA-N 2 1 355.486 2.038 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377717129 558404567 /nfs/dbraw/zinc/40/45/67/558404567.db2.gz DLAOYMCBJBCOMD-YZGWKJHDSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377717129 558404569 /nfs/dbraw/zinc/40/45/69/558404569.db2.gz DLAOYMCBJBCOMD-YZGWKJHDSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377717129 558404570 /nfs/dbraw/zinc/40/45/70/558404570.db2.gz DLAOYMCBJBCOMD-YZGWKJHDSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377717129 558404571 /nfs/dbraw/zinc/40/45/71/558404571.db2.gz DLAOYMCBJBCOMD-YZGWKJHDSA-N 2 1 354.498 2.201 20 30 FEEDMP C=CCc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc(OC)c1O ZINC000415129714 559207008 /nfs/dbraw/zinc/20/70/08/559207008.db2.gz PMFPVFYPAVMRAI-QGZVFWFLSA-N 2 1 357.458 2.017 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305483 /nfs/dbraw/zinc/30/54/83/560305483.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305484 /nfs/dbraw/zinc/30/54/84/560305484.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 2 1 360.542 2.241 20 30 FEEDMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414494 560305485 /nfs/dbraw/zinc/30/54/85/560305485.db2.gz DDBXFMYWJUSBKQ-RXGLGVBBSA-N 2 1 360.542 2.241 20 30 FEEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469768751 560963924 /nfs/dbraw/zinc/96/39/24/560963924.db2.gz LSPJKVMRXGNOPZ-QGZVFWFLSA-N 2 1 364.534 2.008 20 30 FEEDMP C=CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000533423690 562508222 /nfs/dbraw/zinc/50/82/22/562508222.db2.gz SHGREOJDWRZMGQ-GOSISDBHSA-N 2 1 371.525 2.422 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601968587 567889990 /nfs/dbraw/zinc/88/99/90/567889990.db2.gz OVGPMKKISSOSBZ-NRSPTQNISA-N 2 1 371.525 2.415 20 30 FEEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000568520835 568045917 /nfs/dbraw/zinc/04/59/17/568045917.db2.gz AQLZQHSNFQOXOS-LJQANCHMSA-N 2 1 360.421 2.496 20 30 FEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000565945516 675162817 /nfs/dbraw/zinc/16/28/17/675162817.db2.gz IRGRXQMLFIRZMY-QGZVFWFLSA-N 2 1 363.527 2.434 20 30 FEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000580553182 671817705 /nfs/dbraw/zinc/81/77/05/671817705.db2.gz VSLJBBPLFYQLDO-MRXNPFEDSA-N 2 1 369.303 2.429 20 30 FEEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000261984858 672907028 /nfs/dbraw/zinc/90/70/28/672907028.db2.gz JMTIMFLKEMZTTO-OAHLLOKOSA-N 2 1 361.921 2.261 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262768854 672920495 /nfs/dbraw/zinc/92/04/95/672920495.db2.gz JPRHZMAZILQIBR-LBPRGKRZSA-N 2 1 369.282 2.490 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)c(F)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262768854 672920497 /nfs/dbraw/zinc/92/04/97/672920497.db2.gz JPRHZMAZILQIBR-LBPRGKRZSA-N 2 1 369.282 2.490 20 30 FEEDMP CC[NH+]=C(NC[C@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262764756 672920586 /nfs/dbraw/zinc/92/05/86/672920586.db2.gz FRAJAJQHLXCTCK-IPQPSQTFSA-N 2 1 350.551 2.498 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cc(Cl)cc(Cl)c1 ZINC000303873206 673018042 /nfs/dbraw/zinc/01/80/42/673018042.db2.gz GQKCSTACCGUSHU-UHFFFAOYSA-N 2 1 359.301 2.163 20 30 FEEDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000931482631 684289821 /nfs/dbraw/zinc/28/98/21/684289821.db2.gz ZYIBUIXMYKMXDX-UHFFFAOYSA-N 2 1 352.276 2.209 20 30 FEEDMP C=CCNc1ncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000900338860 690503779 /nfs/dbraw/zinc/50/37/79/690503779.db2.gz KLDNRCSRKLYMFL-UHFFFAOYSA-N 2 1 358.471 2.140 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@]2(O)CCCC[C@H]2CC(=O)OCC)CC1 ZINC000905094134 691066366 /nfs/dbraw/zinc/06/63/66/691066366.db2.gz DBLWWGZZWJOPAA-FXAWDEMLSA-N 2 1 352.519 2.491 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000045121920 540204047 /nfs/dbraw/zinc/20/40/47/540204047.db2.gz RJCLWTYIQJCMSR-UHFFFAOYSA-N 2 1 369.513 2.261 20 30 FEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093133054 542910366 /nfs/dbraw/zinc/91/03/66/542910366.db2.gz BIONJQAQXLCZPE-LJQANCHMSA-N 2 1 359.514 2.472 20 30 FEEDMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590236 543296124 /nfs/dbraw/zinc/29/61/24/543296124.db2.gz LEUOZZALGBERSD-FQEVSTJZSA-N 2 1 369.513 2.117 20 30 FEEDMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590236 543296127 /nfs/dbraw/zinc/29/61/27/543296127.db2.gz LEUOZZALGBERSD-FQEVSTJZSA-N 2 1 369.513 2.117 20 30 FEEDMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590236 543296131 /nfs/dbraw/zinc/29/61/31/543296131.db2.gz LEUOZZALGBERSD-FQEVSTJZSA-N 2 1 369.513 2.117 20 30 FEEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180872783 547198435 /nfs/dbraw/zinc/19/84/35/547198435.db2.gz BAZMQDVFBLOPPZ-BVGIJJTOSA-N 2 1 365.437 2.358 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183684863 547701249 /nfs/dbraw/zinc/70/12/49/547701249.db2.gz MRBHKTNZVWZWDS-UONOGXRCSA-N 2 1 355.442 2.232 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187455175 548257444 /nfs/dbraw/zinc/25/74/44/548257444.db2.gz PENXIWFGXKGSDV-OAQYLSRUSA-N 2 1 353.510 2.358 20 30 FEEDMP CN(CC[N@@H+](C)C1CC1)c1ccc(C#N)c(N(C)CC[NH+](C)C2CC2)n1 ZINC000195280552 548611162 /nfs/dbraw/zinc/61/11/62/548611162.db2.gz GEDFWTUOVGAPOG-UHFFFAOYSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(CC[NH+](C)C1CC1)c1ccc(C#N)c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000195280552 548611164 /nfs/dbraw/zinc/61/11/64/548611164.db2.gz GEDFWTUOVGAPOG-UHFFFAOYSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(CC[NH+](C)C1CC1)c1ccc(C#N)c(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000195280552 548611168 /nfs/dbraw/zinc/61/11/68/548611168.db2.gz GEDFWTUOVGAPOG-UHFFFAOYSA-N 2 1 356.518 2.014 20 30 FEEDMP CCN(CC)C(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000264275487 549993972 /nfs/dbraw/zinc/99/39/72/549993972.db2.gz MPZMQVBFWMBITI-UHFFFAOYSA-N 2 1 362.518 2.333 20 30 FEEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270538545 550281832 /nfs/dbraw/zinc/28/18/32/550281832.db2.gz BGSBAYVQPSYHGW-BBRMVZONSA-N 2 1 354.857 2.119 20 30 FEEDMP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562264 550458216 /nfs/dbraw/zinc/45/82/16/550458216.db2.gz GUMVMTXFDOQYMW-MGVNEBLISA-N 2 1 368.481 2.013 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000304764031 553747716 /nfs/dbraw/zinc/74/77/16/553747716.db2.gz XLBSTZYYCNFYIL-CQSZACIVSA-N 2 1 362.865 2.279 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cccc(Cl)c2)no1 ZINC000304743651 553747749 /nfs/dbraw/zinc/74/77/49/553747749.db2.gz DGGXZRLOPODKNK-AWEZNQCLSA-N 2 1 362.865 2.279 20 30 FEEDMP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)C[C@@H](C)O1 ZINC000330213155 554086416 /nfs/dbraw/zinc/08/64/16/554086416.db2.gz FCWMZOYWQWBPTM-HUUCEWRRSA-N 2 1 366.506 2.231 20 30 FEEDMP Cc1cc(N2CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc(C)[nH+]1 ZINC000363349744 555083542 /nfs/dbraw/zinc/08/35/42/555083542.db2.gz RNYKAGBYCKXEME-HXUWFJFHSA-N 2 1 372.517 2.049 20 30 FEEDMP Cc1cc(N2CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc(C)[nH+]1 ZINC000363349744 555083544 /nfs/dbraw/zinc/08/35/44/555083544.db2.gz RNYKAGBYCKXEME-HXUWFJFHSA-N 2 1 372.517 2.049 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205437 557106908 /nfs/dbraw/zinc/10/69/08/557106908.db2.gz RVNHAJILOCGSDT-UXHICEINSA-N 2 1 357.498 2.496 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205437 557106911 /nfs/dbraw/zinc/10/69/11/557106911.db2.gz RVNHAJILOCGSDT-UXHICEINSA-N 2 1 357.498 2.496 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000371288875 557132784 /nfs/dbraw/zinc/13/27/84/557132784.db2.gz GAZCETFJHJGKTE-GUDVDZBRSA-N 2 1 356.470 2.070 20 30 FEEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1 ZINC000374298321 557860890 /nfs/dbraw/zinc/86/08/90/557860890.db2.gz VSGCWGIOGMAKOC-IBGZPJMESA-N 2 1 366.509 2.371 20 30 FEEDMP C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378371937 558542687 /nfs/dbraw/zinc/54/26/87/558542687.db2.gz SYBJGPIJUAATFG-SFHVURJKSA-N 2 1 356.514 2.427 20 30 FEEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccccc3C#N)CC2)CC1 ZINC000420986094 559517449 /nfs/dbraw/zinc/51/74/49/559517449.db2.gz XSVJXVDNIVYVPJ-UHFFFAOYSA-N 2 1 356.514 2.429 20 30 FEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000451678542 560321584 /nfs/dbraw/zinc/32/15/84/560321584.db2.gz INTZVQLNQNOASI-SXLOBPIMSA-N 2 1 357.498 2.215 20 30 FEEDMP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605146 560959483 /nfs/dbraw/zinc/95/94/83/560959483.db2.gz PRKUPYYMXUTGSA-HKUYNNGSSA-N 2 1 354.498 2.391 20 30 FEEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000602587266 567994458 /nfs/dbraw/zinc/99/44/58/567994458.db2.gz YRPMMOXLXYDXSJ-KRWDZBQOSA-N 2 1 358.486 2.377 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC(F)F ZINC000134028689 672118525 /nfs/dbraw/zinc/11/85/25/672118525.db2.gz SMANIHLVMICWKB-CYBMUJFWSA-N 2 1 356.417 2.185 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000304811699 673020893 /nfs/dbraw/zinc/02/08/93/673020893.db2.gz XLVKFWGSQBRNNW-INIZCTEOSA-N 2 1 352.404 2.446 20 30 FEEDMP C[NH+](C)CC1(O)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000931482990 684290231 /nfs/dbraw/zinc/29/02/31/684290231.db2.gz TWCHTOXNTDNYBP-UHFFFAOYSA-N 2 1 356.388 2.325 20 30 FEEDMP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000080968058 542619766 /nfs/dbraw/zinc/61/97/66/542619766.db2.gz HWYLRVDKXQLDII-UHFFFAOYSA-N 2 1 359.518 2.419 20 30 FEEDMP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000080968058 542619774 /nfs/dbraw/zinc/61/97/74/542619774.db2.gz HWYLRVDKXQLDII-UHFFFAOYSA-N 2 1 359.518 2.419 20 30 FEEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000104191943 543125933 /nfs/dbraw/zinc/12/59/33/543125933.db2.gz UXELJROMSVOOTE-SFHVURJKSA-N 2 1 359.518 2.479 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000111042272 543379494 /nfs/dbraw/zinc/37/94/94/543379494.db2.gz UIJKAJCURNJZRA-UHFFFAOYSA-N 2 1 374.554 2.125 20 30 FEEDMP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000488226939 561386522 /nfs/dbraw/zinc/38/65/22/561386522.db2.gz DLUHAQCUISANCY-UHFFFAOYSA-N 2 1 354.498 2.243 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000246857385 549229690 /nfs/dbraw/zinc/22/96/90/549229690.db2.gz KOKUIYJYAFEXDS-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000246857385 549229695 /nfs/dbraw/zinc/22/96/95/549229695.db2.gz KOKUIYJYAFEXDS-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000246857385 549229698 /nfs/dbraw/zinc/22/96/98/549229698.db2.gz KOKUIYJYAFEXDS-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000264153343 549985849 /nfs/dbraw/zinc/98/58/49/549985849.db2.gz ZWUGRYDQOBQKQZ-LJQANCHMSA-N 2 1 371.529 2.201 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000277326505 550656894 /nfs/dbraw/zinc/65/68/94/550656894.db2.gz VJGKSHIKEHXGMF-GOSISDBHSA-N 2 1 356.470 2.469 20 30 FEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000277326505 550656895 /nfs/dbraw/zinc/65/68/95/550656895.db2.gz VJGKSHIKEHXGMF-GOSISDBHSA-N 2 1 356.470 2.469 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695704 556942658 /nfs/dbraw/zinc/94/26/58/556942658.db2.gz CKRJLLVLAFXEOZ-KNQAVFIVSA-N 2 1 369.557 2.494 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000374431856 557883266 /nfs/dbraw/zinc/88/32/66/557883266.db2.gz ZASBXFDSJYZPDE-BHIYHBOVSA-N 2 1 356.470 2.070 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000527768551 562303272 /nfs/dbraw/zinc/30/32/72/562303272.db2.gz PBJLWPOZHUCDIO-LJQANCHMSA-N 2 1 372.513 2.219 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000527768551 562303273 /nfs/dbraw/zinc/30/32/73/562303273.db2.gz PBJLWPOZHUCDIO-LJQANCHMSA-N 2 1 372.513 2.219 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605147 560959443 /nfs/dbraw/zinc/95/94/43/560959443.db2.gz PRKUPYYMXUTGSA-IEBWSBKVSA-N 2 1 354.498 2.391 20 30 FEEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502651 562332860 /nfs/dbraw/zinc/33/28/60/562332860.db2.gz JZSHEZPMCWWQLS-IAGOWNOFSA-N 2 1 356.470 2.190 20 30 FEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557805 567991404 /nfs/dbraw/zinc/99/14/04/567991404.db2.gz JGANRLKZLFIOJJ-RXVVDRJESA-N 2 1 357.498 2.312 20 30 FEEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000580543536 671816880 /nfs/dbraw/zinc/81/68/80/671816880.db2.gz HFHOYDHWEOWCSR-QGZVFWFLSA-N 2 1 363.527 2.434 20 30 FEEDMP C[NH+]=C(NCc1cnn(C)c1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262364976 672914413 /nfs/dbraw/zinc/91/44/13/672914413.db2.gz JFPZUOZMUDFNKM-DOTOQJQBSA-N 2 1 360.531 2.230 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(Br)cc1 ZINC000303975643 673019782 /nfs/dbraw/zinc/01/97/82/673019782.db2.gz JGTBHKQCSFZSNG-CQSZACIVSA-N 2 1 369.307 2.217 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001014475089 680038421 /nfs/dbraw/zinc/03/84/21/680038421.db2.gz KQVYRQIRVUYVQH-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001014475089 680038424 /nfs/dbraw/zinc/03/84/24/680038424.db2.gz KQVYRQIRVUYVQH-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001014475089 680038426 /nfs/dbraw/zinc/03/84/26/680038426.db2.gz KQVYRQIRVUYVQH-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001014475089 680038429 /nfs/dbraw/zinc/03/84/29/680038429.db2.gz KQVYRQIRVUYVQH-AYOQOUSVSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001023379679 680258164 /nfs/dbraw/zinc/25/81/64/680258164.db2.gz MKIIGHMMAFBGTB-IIDMSEBBSA-N 2 1 360.527 2.288 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001023379679 680258165 /nfs/dbraw/zinc/25/81/65/680258165.db2.gz MKIIGHMMAFBGTB-IIDMSEBBSA-N 2 1 360.527 2.288 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001023379679 680258168 /nfs/dbraw/zinc/25/81/68/680258168.db2.gz MKIIGHMMAFBGTB-IIDMSEBBSA-N 2 1 360.527 2.288 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376667 680459797 /nfs/dbraw/zinc/45/97/97/680459797.db2.gz INTGIFBTYDIANM-MSOLQXFVSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376667 680459799 /nfs/dbraw/zinc/45/97/99/680459799.db2.gz INTGIFBTYDIANM-MSOLQXFVSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376667 680459801 /nfs/dbraw/zinc/45/98/01/680459801.db2.gz INTGIFBTYDIANM-MSOLQXFVSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000836376667 680459803 /nfs/dbraw/zinc/45/98/03/680459803.db2.gz INTGIFBTYDIANM-MSOLQXFVSA-N 2 1 362.905 2.340 20 30 FEEDMP CC(C)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879703417 686891583 /nfs/dbraw/zinc/89/15/83/686891583.db2.gz LYBAWEQZHHAFJR-IBGZPJMESA-N 2 1 351.535 2.358 20 30 FEEDMP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000151147547 544510146 /nfs/dbraw/zinc/51/01/46/544510146.db2.gz IYBSVDLQVBGKQD-VQTJNVASSA-N 2 1 357.498 2.443 20 30 FEEDMP N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000151147547 544510150 /nfs/dbraw/zinc/51/01/50/544510150.db2.gz IYBSVDLQVBGKQD-VQTJNVASSA-N 2 1 357.498 2.443 20 30 FEEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000191477846 328267672 /nfs/dbraw/zinc/26/76/72/328267672.db2.gz KGYNOGMGXWHVLK-UHFFFAOYSA-N 2 1 369.557 2.486 20 30 FEEDMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122085049 326383394 /nfs/dbraw/zinc/38/33/94/326383394.db2.gz VYUBDMWLTAPDDH-HXUWFJFHSA-N 2 1 372.513 2.155 20 30 FEEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122085049 326383395 /nfs/dbraw/zinc/38/33/95/326383395.db2.gz VYUBDMWLTAPDDH-HXUWFJFHSA-N 2 1 372.513 2.155 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000186339759 548122135 /nfs/dbraw/zinc/12/21/35/548122135.db2.gz VHEXHODZQATVDC-NRFANRHFSA-N 2 1 353.510 2.455 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249757896 549625571 /nfs/dbraw/zinc/62/55/71/549625571.db2.gz LHHKGTVHQRNXOF-IAGOWNOFSA-N 2 1 372.513 2.408 20 30 FEEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262010026 549779438 /nfs/dbraw/zinc/77/94/38/549779438.db2.gz WJQYZYLBFQEYPU-RDTXWAMCSA-N 2 1 353.470 2.489 20 30 FEEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N1CCC2(C1)CCOCC2 ZINC000262368798 549814799 /nfs/dbraw/zinc/81/47/99/549814799.db2.gz IDWOCPKTGCGWEU-UHFFFAOYSA-N 2 1 370.541 2.164 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264713199 550000220 /nfs/dbraw/zinc/00/02/20/550000220.db2.gz WHNSZSBEYMCCMY-IBGZPJMESA-N 2 1 372.513 2.006 20 30 FEEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271555430 550384709 /nfs/dbraw/zinc/38/47/09/550384709.db2.gz WPLSTQACGGQNEF-AWEZNQCLSA-N 2 1 359.923 2.320 20 30 FEEDMP COCC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278574106 550800529 /nfs/dbraw/zinc/80/05/29/550800529.db2.gz FBULENDQGMQAHC-UHFFFAOYSA-N 2 1 368.485 2.059 20 30 FEEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000279658433 550913643 /nfs/dbraw/zinc/91/36/43/550913643.db2.gz CUBROXKWYYWWKG-FQEVSTJZSA-N 2 1 352.482 2.219 20 30 FEEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)cc1 ZINC000279658433 550913644 /nfs/dbraw/zinc/91/36/44/550913644.db2.gz CUBROXKWYYWWKG-FQEVSTJZSA-N 2 1 352.482 2.219 20 30 FEEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)cc1 ZINC000279658433 550913645 /nfs/dbraw/zinc/91/36/45/550913645.db2.gz CUBROXKWYYWWKG-FQEVSTJZSA-N 2 1 352.482 2.219 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)cc1 ZINC000279658433 550913646 /nfs/dbraw/zinc/91/36/46/550913646.db2.gz CUBROXKWYYWWKG-FQEVSTJZSA-N 2 1 352.482 2.219 20 30 FEEDMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CCn2cncc2C1 ZINC000329474312 553953262 /nfs/dbraw/zinc/95/32/62/553953262.db2.gz SSVDNCUVIHFMTH-KXBFYZLASA-N 2 1 354.454 2.169 20 30 FEEDMP CN1CCO[C@@H](C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858652 554020351 /nfs/dbraw/zinc/02/03/51/554020351.db2.gz OEIISPCUCMAKIG-NVXWUHKLSA-N 2 1 360.458 2.352 20 30 FEEDMP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1 ZINC000330177804 554079227 /nfs/dbraw/zinc/07/92/27/554079227.db2.gz DEXLJGDWIVLEBX-YWZLYKJASA-N 2 1 359.518 2.437 20 30 FEEDMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777957 562118213 /nfs/dbraw/zinc/11/82/13/562118213.db2.gz DLTOPPZWLXGDIS-INIZCTEOSA-N 2 1 360.527 2.373 20 30 FEEDMP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372671965 557534409 /nfs/dbraw/zinc/53/44/09/557534409.db2.gz FTOYBWKXHLVVQP-NHCUHLMSSA-N 2 1 350.466 2.361 20 30 FEEDMP CC(C)(C#N)c1ccccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603251809 568078627 /nfs/dbraw/zinc/07/86/27/568078627.db2.gz UXCCPYIWIWETRS-UHFFFAOYSA-N 2 1 352.486 2.093 20 30 FEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccccc1Br ZINC000073742398 670506537 /nfs/dbraw/zinc/50/65/37/670506537.db2.gz VHYPJZYYEVKQNV-CYBMUJFWSA-N 2 1 353.308 2.408 20 30 FEEDMP C[NH+]=C(NCc1ccnn1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984783 670651276 /nfs/dbraw/zinc/65/12/76/670651276.db2.gz DMRFEAUOLIFXGN-YOEHRIQHSA-N 2 1 360.531 2.230 20 30 FEEDMP C[NH+]=C(NCc1cnn(C)c1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984094 670651630 /nfs/dbraw/zinc/65/16/30/670651630.db2.gz JFPZUOZMUDFNKM-RDJZCZTQSA-N 2 1 360.531 2.230 20 30 FEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717685 673793841 /nfs/dbraw/zinc/79/38/41/673793841.db2.gz SMHANNYNEWBPLB-CEXWTWQISA-N 2 1 351.535 2.405 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1snc(C)c1C#N ZINC000839100711 680737870 /nfs/dbraw/zinc/73/78/70/680737870.db2.gz DLLMMZGPVLKVLE-AWEZNQCLSA-N 2 1 364.519 2.203 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001033095754 680417659 /nfs/dbraw/zinc/41/76/59/680417659.db2.gz DSRMMEBCMQREER-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001033095754 680417663 /nfs/dbraw/zinc/41/76/63/680417663.db2.gz DSRMMEBCMQREER-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001033095754 680417667 /nfs/dbraw/zinc/41/76/67/680417667.db2.gz DSRMMEBCMQREER-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001033095754 680417671 /nfs/dbraw/zinc/41/76/71/680417671.db2.gz DSRMMEBCMQREER-FHLIZLRMSA-N 2 1 360.527 2.383 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001001419975 680461116 /nfs/dbraw/zinc/46/11/16/680461116.db2.gz APSUTKZFXUNESM-RDTXWAMCSA-N 2 1 360.527 2.288 20 30 FEEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135167 680462016 /nfs/dbraw/zinc/46/20/16/680462016.db2.gz DWEDQNVYRRLPNT-KBAYOESNSA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135167 680462019 /nfs/dbraw/zinc/46/20/19/680462019.db2.gz DWEDQNVYRRLPNT-KBAYOESNSA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135167 680462022 /nfs/dbraw/zinc/46/20/22/680462022.db2.gz DWEDQNVYRRLPNT-KBAYOESNSA-N 2 1 369.937 2.019 20 30 FEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039135167 680462023 /nfs/dbraw/zinc/46/20/23/680462023.db2.gz DWEDQNVYRRLPNT-KBAYOESNSA-N 2 1 369.937 2.019 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000837360060 680592051 /nfs/dbraw/zinc/59/20/51/680592051.db2.gz JUKKDKUOAYJUKI-KRWDZBQOSA-N 2 1 350.894 2.197 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000837360060 680592052 /nfs/dbraw/zinc/59/20/52/680592052.db2.gz JUKKDKUOAYJUKI-KRWDZBQOSA-N 2 1 350.894 2.197 20 30 FEEDMP CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000912507652 685388745 /nfs/dbraw/zinc/38/87/45/685388745.db2.gz YYFMYIAEMAVILZ-JKSUJKDBSA-N 2 1 364.559 2.488 20 30 FEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000961834304 682100872 /nfs/dbraw/zinc/10/08/72/682100872.db2.gz VOZLVLJPIQZYOP-GFEQUFNTSA-N 2 1 359.901 2.131 20 30 FEEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000961834304 682100876 /nfs/dbraw/zinc/10/08/76/682100876.db2.gz VOZLVLJPIQZYOP-GFEQUFNTSA-N 2 1 359.901 2.131 20 30 FEEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961834304 682100880 /nfs/dbraw/zinc/10/08/80/682100880.db2.gz VOZLVLJPIQZYOP-GFEQUFNTSA-N 2 1 359.901 2.131 20 30 FEEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961834304 682100885 /nfs/dbraw/zinc/10/08/85/682100885.db2.gz VOZLVLJPIQZYOP-GFEQUFNTSA-N 2 1 359.901 2.131 20 30 FEEDMP C=CCc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc(OC)c1O ZINC000093132885 542910904 /nfs/dbraw/zinc/91/09/04/542910904.db2.gz KMKVIWJDZVVNFJ-IBGZPJMESA-N 2 1 359.514 2.341 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000152473794 544658957 /nfs/dbraw/zinc/65/89/57/544658957.db2.gz KOKUIYJYAFEXDS-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000152473794 544658960 /nfs/dbraw/zinc/65/89/60/544658960.db2.gz KOKUIYJYAFEXDS-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000152473794 544658962 /nfs/dbraw/zinc/65/89/62/544658962.db2.gz KOKUIYJYAFEXDS-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP Cc1cc(C#N)ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154362983 544896644 /nfs/dbraw/zinc/89/66/44/544896644.db2.gz CNALLNXHIFKWBB-DFNIBXOVSA-N 2 1 352.482 2.250 20 30 FEEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000187678927 328039311 /nfs/dbraw/zinc/03/93/11/328039311.db2.gz NXOYRQOVKIHPEC-QGZVFWFLSA-N 2 1 354.498 2.495 20 30 FEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000118399211 326090451 /nfs/dbraw/zinc/09/04/51/326090451.db2.gz JPANMOKPHUSOEB-KRWDZBQOSA-N 2 1 354.498 2.495 20 30 FEEDMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000367201683 330229442 /nfs/dbraw/zinc/22/94/42/330229442.db2.gz USCDMZYNMXGSJQ-LJQANCHMSA-N 2 1 352.482 2.471 20 30 FEEDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000160017582 546000598 /nfs/dbraw/zinc/00/05/98/546000598.db2.gz OIINVBMOKYHQDE-KRWDZBQOSA-N 2 1 357.502 2.380 20 30 FEEDMP COc1cc(C#N)ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182593934 547518948 /nfs/dbraw/zinc/51/89/48/547518948.db2.gz DSBKUUSECZMEIU-YOFSQIOKSA-N 2 1 354.498 2.310 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246522773 549152096 /nfs/dbraw/zinc/15/20/96/549152096.db2.gz IWOAARHBKFMFDJ-DSKINZAPSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246522773 549152100 /nfs/dbraw/zinc/15/21/00/549152100.db2.gz IWOAARHBKFMFDJ-DSKINZAPSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246522773 549152105 /nfs/dbraw/zinc/15/21/05/549152105.db2.gz IWOAARHBKFMFDJ-DSKINZAPSA-N 2 1 355.482 2.247 20 30 FEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCSC(C)(C)C1 ZINC000261654164 549739705 /nfs/dbraw/zinc/73/97/05/549739705.db2.gz BFXYGTBGNADWBM-UHFFFAOYSA-N 2 1 358.515 2.479 20 30 FEEDMP C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000261950788 549773743 /nfs/dbraw/zinc/77/37/43/549773743.db2.gz NYNCDFHPBUXHTD-NHYWBVRUSA-N 2 1 359.301 2.144 20 30 FEEDMP CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264121759 549981448 /nfs/dbraw/zinc/98/14/48/549981448.db2.gz VGUBMXZQEPVJDZ-CRAIPNDOSA-N 2 1 359.518 2.104 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266453394 550020598 /nfs/dbraw/zinc/02/05/98/550020598.db2.gz OKSWCXBGRWVMJO-OAQYLSRUSA-N 2 1 371.525 2.434 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266453394 550020601 /nfs/dbraw/zinc/02/06/01/550020601.db2.gz OKSWCXBGRWVMJO-OAQYLSRUSA-N 2 1 371.525 2.434 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267272716 550029451 /nfs/dbraw/zinc/02/94/51/550029451.db2.gz ARIQPXWYALIDMC-NQIIRXRSSA-N 2 1 353.510 2.358 20 30 FEEDMP Cc1ccc([C@@H]2OCCC[C@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267454513 550031769 /nfs/dbraw/zinc/03/17/69/550031769.db2.gz SLBAJFUGLDUFEI-PMACEKPBSA-N 2 1 374.529 2.089 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000276243921 550577621 /nfs/dbraw/zinc/57/76/21/550577621.db2.gz OPYNXHFSKHAKFG-FHWLQOOXSA-N 2 1 351.535 2.302 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000276243921 550577622 /nfs/dbraw/zinc/57/76/22/550577622.db2.gz OPYNXHFSKHAKFG-FHWLQOOXSA-N 2 1 351.535 2.302 20 30 FEEDMP C[NH+]1CC=C(CNc2nc(NCC3=CC[N@@H+](C)CC3)ccc2C#N)CC1 ZINC000278192538 550759279 /nfs/dbraw/zinc/75/92/79/550759279.db2.gz DQFASNIBQVXRHH-UHFFFAOYSA-N 2 1 352.486 2.301 20 30 FEEDMP C[NH+]1CC=C(CNc2ccc(C#N)c(NCC3=CC[N@H+](C)CC3)n2)CC1 ZINC000278192538 550759281 /nfs/dbraw/zinc/75/92/81/550759281.db2.gz DQFASNIBQVXRHH-UHFFFAOYSA-N 2 1 352.486 2.301 20 30 FEEDMP C[NH+]1CC=C(CNc2ccc(C#N)c(NCC3=CC[N@@H+](C)CC3)n2)CC1 ZINC000278192538 550759283 /nfs/dbraw/zinc/75/92/83/550759283.db2.gz DQFASNIBQVXRHH-UHFFFAOYSA-N 2 1 352.486 2.301 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298732917 553465687 /nfs/dbraw/zinc/46/56/87/553465687.db2.gz MJBMIVXYLRFZIW-UXHICEINSA-N 2 1 369.513 2.258 20 30 FEEDMP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000304784799 553747475 /nfs/dbraw/zinc/74/74/75/553747475.db2.gz HRTRWGLCILZRCH-UHFFFAOYSA-N 2 1 359.518 2.372 20 30 FEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@H]2C1 ZINC000329537684 553963795 /nfs/dbraw/zinc/96/37/95/553963795.db2.gz MGPJJVRQCDUNDX-OAGGEKHMSA-N 2 1 359.518 2.435 20 30 FEEDMP C[C@H]1COC(C)(C)CN1CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000330124471 554068846 /nfs/dbraw/zinc/06/88/46/554068846.db2.gz BFERNJYBVWVFDL-KRWDZBQOSA-N 2 1 367.534 2.477 20 30 FEEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618189 554975804 /nfs/dbraw/zinc/97/58/04/554975804.db2.gz WYQOMWDITWQBCJ-AZUAARDMSA-N 2 1 369.509 2.494 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000365529048 555600063 /nfs/dbraw/zinc/60/00/63/555600063.db2.gz SUCLJXLHUJRRRH-NRFANRHFSA-N 2 1 357.498 2.383 20 30 FEEDMP CC1CC[NH+](CC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000368945270 556455559 /nfs/dbraw/zinc/45/55/59/556455559.db2.gz GEEBGBOTWIKGBV-UHFFFAOYSA-N 2 1 359.518 2.086 20 30 FEEDMP CN(C)c1cc(C#N)cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000516904286 562063851 /nfs/dbraw/zinc/06/38/51/562063851.db2.gz NCHMGRKYQRIDJT-UHFFFAOYSA-N 2 1 364.453 2.023 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=N)N([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000371439153 557187072 /nfs/dbraw/zinc/18/70/72/557187072.db2.gz SJBMKFACVKIOPE-GJZGRUSLSA-N 2 1 365.481 2.273 20 30 FEEDMP C=C(C)CS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000435435390 559922974 /nfs/dbraw/zinc/92/29/74/559922974.db2.gz AWMMSDZLWRBIDG-UHFFFAOYSA-N 2 1 357.564 2.020 20 30 FEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000451677548 560321611 /nfs/dbraw/zinc/32/16/11/560321611.db2.gz UYHPKZOAHWNBNB-RTWAWAEBSA-N 2 1 371.525 2.353 20 30 FEEDMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033205 560878443 /nfs/dbraw/zinc/87/84/43/560878443.db2.gz BKNWBBRXQYPNDZ-VQIMIIECSA-N 2 1 357.502 2.114 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282563 561023059 /nfs/dbraw/zinc/02/30/59/561023059.db2.gz FTSARYSNAMXOCB-WMZOPIPTSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282563 561023060 /nfs/dbraw/zinc/02/30/60/561023060.db2.gz FTSARYSNAMXOCB-WMZOPIPTSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000550008522 562641881 /nfs/dbraw/zinc/64/18/81/562641881.db2.gz BPJGWIVRSJZBNL-IBGZPJMESA-N 2 1 371.529 2.112 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1F ZINC000262006410 672907434 /nfs/dbraw/zinc/90/74/34/672907434.db2.gz RQOFFUIDNXGYET-CYBMUJFWSA-N 2 1 357.271 2.477 20 30 FEEDMP C=CCCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076736347 542319383 /nfs/dbraw/zinc/31/93/83/542319383.db2.gz XHEYWCWPGVAPPA-GOSISDBHSA-N 2 1 359.514 2.422 20 30 FEEDMP C=CCCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076736347 542319386 /nfs/dbraw/zinc/31/93/86/542319386.db2.gz XHEYWCWPGVAPPA-GOSISDBHSA-N 2 1 359.514 2.422 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CCc1ccccc1 ZINC000081525022 542663505 /nfs/dbraw/zinc/66/35/05/542663505.db2.gz OMUXIYUWGWUFCU-GOSISDBHSA-N 2 1 354.502 2.014 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821465 542889092 /nfs/dbraw/zinc/88/90/92/542889092.db2.gz KQDGPXITWIHZFY-MRXNPFEDSA-N 2 1 373.501 2.020 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000104177151 543125422 /nfs/dbraw/zinc/12/54/22/543125422.db2.gz PVRUKUVPZMTWLC-GOSISDBHSA-N 2 1 372.517 2.203 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247494680 549343702 /nfs/dbraw/zinc/34/37/02/549343702.db2.gz LFDHVNZCPWZYJG-CTNGQTDRSA-N 2 1 356.514 2.495 20 30 FEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000153984613 544848507 /nfs/dbraw/zinc/84/85/07/544848507.db2.gz MWOBQWSSMGTIJY-RTBURBONSA-N 2 1 356.514 2.427 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000153979897 544847418 /nfs/dbraw/zinc/84/74/18/544847418.db2.gz SLGBRUKDWIZDSR-CQSZACIVSA-N 2 1 365.481 2.130 20 30 FEEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000153979897 544847423 /nfs/dbraw/zinc/84/74/23/544847423.db2.gz SLGBRUKDWIZDSR-CQSZACIVSA-N 2 1 365.481 2.130 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886830 327358337 /nfs/dbraw/zinc/35/83/37/327358337.db2.gz SYKMRPYZEMRAKU-IBGZPJMESA-N 2 1 372.513 2.048 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886830 327358339 /nfs/dbraw/zinc/35/83/39/327358339.db2.gz SYKMRPYZEMRAKU-IBGZPJMESA-N 2 1 372.513 2.048 20 30 FEEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000177559844 546643891 /nfs/dbraw/zinc/64/38/91/546643891.db2.gz KMSRCAQMQAKBNS-VXPUYCOJSA-N 2 1 370.497 2.261 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000273323172 550494368 /nfs/dbraw/zinc/49/43/68/550494368.db2.gz GTTBKPXBYFIJQO-INIZCTEOSA-N 2 1 374.464 2.197 20 30 FEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856975 550559834 /nfs/dbraw/zinc/55/98/34/550559834.db2.gz SNZBKDXBQBEGQK-ICSRJNTNSA-N 2 1 367.497 2.143 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856975 550559836 /nfs/dbraw/zinc/55/98/36/550559836.db2.gz SNZBKDXBQBEGQK-ICSRJNTNSA-N 2 1 367.497 2.143 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000279443870 550890972 /nfs/dbraw/zinc/89/09/72/550890972.db2.gz BKOSMFLUKCNVII-FPOVZHCZSA-N 2 1 351.494 2.475 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000365746080 555658124 /nfs/dbraw/zinc/65/81/24/555658124.db2.gz HVMLIRBOLWADCY-YADHBBJMSA-N 2 1 365.521 2.312 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000365913083 555699765 /nfs/dbraw/zinc/69/97/65/555699765.db2.gz VUGSUASJYBJPFH-UHFFFAOYSA-N 2 1 357.502 2.155 20 30 FEEDMP Cc1oc(C#N)cc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366670181 555904162 /nfs/dbraw/zinc/90/41/62/555904162.db2.gz SNSQSVGJQZHIQB-UHFFFAOYSA-N 2 1 358.486 2.386 20 30 FEEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000368050181 556204528 /nfs/dbraw/zinc/20/45/28/556204528.db2.gz DEHNLCVKKYLXGG-ICSRJNTNSA-N 2 1 356.514 2.437 20 30 FEEDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000369288548 556566162 /nfs/dbraw/zinc/56/61/62/556566162.db2.gz RNANXXAOGZVZSJ-UHFFFAOYSA-N 2 1 352.486 2.032 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370711138 556946635 /nfs/dbraw/zinc/94/66/35/556946635.db2.gz WBNLIHNDGOMMPY-OPYAIIAOSA-N 2 1 356.514 2.435 20 30 FEEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370711138 556946636 /nfs/dbraw/zinc/94/66/36/556946636.db2.gz WBNLIHNDGOMMPY-OPYAIIAOSA-N 2 1 356.514 2.435 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000376223995 558143994 /nfs/dbraw/zinc/14/39/94/558143994.db2.gz DKMHCZSEIRRKJD-IBGZPJMESA-N 2 1 371.529 2.243 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377717125 558404345 /nfs/dbraw/zinc/40/43/45/558404345.db2.gz DLAOYMCBJBCOMD-MISYRCLQSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377717125 558404347 /nfs/dbraw/zinc/40/43/47/558404347.db2.gz DLAOYMCBJBCOMD-MISYRCLQSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377717125 558404349 /nfs/dbraw/zinc/40/43/49/558404349.db2.gz DLAOYMCBJBCOMD-MISYRCLQSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377717125 558404351 /nfs/dbraw/zinc/40/43/51/558404351.db2.gz DLAOYMCBJBCOMD-MISYRCLQSA-N 2 1 354.498 2.201 20 30 FEEDMP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453930 560687427 /nfs/dbraw/zinc/68/74/27/560687427.db2.gz DHAGMKOXWNQRAL-WMZOPIPTSA-N 2 1 360.889 2.266 20 30 FEEDMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000466033204 560878520 /nfs/dbraw/zinc/87/85/20/560878520.db2.gz BKNWBBRXQYPNDZ-QFBILLFUSA-N 2 1 357.502 2.114 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284165 561023232 /nfs/dbraw/zinc/02/32/32/561023232.db2.gz KSFVPMXVDJSMIK-ZWKOTPCHSA-N 2 1 364.534 2.150 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000472284165 561023233 /nfs/dbraw/zinc/02/32/33/561023233.db2.gz KSFVPMXVDJSMIK-ZWKOTPCHSA-N 2 1 364.534 2.150 20 30 FEEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000536932957 673381942 /nfs/dbraw/zinc/38/19/42/673381942.db2.gz DETJYJBUKFMHOO-IRXDYDNUSA-N 2 1 355.548 2.223 20 30 FEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600717694 673794080 /nfs/dbraw/zinc/79/40/80/673794080.db2.gz SMHANNYNEWBPLB-OTWHNJEPSA-N 2 1 351.535 2.405 20 30 FEEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998046879 680372949 /nfs/dbraw/zinc/37/29/49/680372949.db2.gz PFDGTFFQCUGVKT-GUDVDZBRSA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998046879 680372954 /nfs/dbraw/zinc/37/29/54/680372954.db2.gz PFDGTFFQCUGVKT-GUDVDZBRSA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998046879 680372959 /nfs/dbraw/zinc/37/29/59/680372959.db2.gz PFDGTFFQCUGVKT-GUDVDZBRSA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998046879 680372964 /nfs/dbraw/zinc/37/29/64/680372964.db2.gz PFDGTFFQCUGVKT-GUDVDZBRSA-N 2 1 351.535 2.375 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393094 681076933 /nfs/dbraw/zinc/07/69/33/681076933.db2.gz DVSDUEOECKPKNJ-QLFBSQMISA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393094 681076935 /nfs/dbraw/zinc/07/69/35/681076935.db2.gz DVSDUEOECKPKNJ-QLFBSQMISA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393094 681076936 /nfs/dbraw/zinc/07/69/36/681076936.db2.gz DVSDUEOECKPKNJ-QLFBSQMISA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393094 681076939 /nfs/dbraw/zinc/07/69/39/681076939.db2.gz DVSDUEOECKPKNJ-QLFBSQMISA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847393821 681373085 /nfs/dbraw/zinc/37/30/85/681373085.db2.gz ILWXTZPLHCMWID-UHFFFAOYSA-N 2 1 358.324 2.208 20 30 FEEDMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2Cl)CC1 ZINC000848414877 681536574 /nfs/dbraw/zinc/53/65/74/681536574.db2.gz FOMNURDBAAHHAZ-INIZCTEOSA-N 2 1 363.893 2.442 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551029470 674121016 /nfs/dbraw/zinc/12/10/16/674121016.db2.gz FSNFYWQOULKNKG-IBGZPJMESA-N 2 1 363.527 2.342 20 30 FEEDMP CCN(CCC#N)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820901 542888376 /nfs/dbraw/zinc/88/83/76/542888376.db2.gz ZBBZNEBSVNCIOP-UHFFFAOYSA-N 2 1 357.502 2.382 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000106290647 543221781 /nfs/dbraw/zinc/22/17/81/543221781.db2.gz XWGSFFUCLVSZHT-NRFANRHFSA-N 2 1 370.541 2.132 20 30 FEEDMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590233 543296027 /nfs/dbraw/zinc/29/60/27/543296027.db2.gz LEUOZZALGBERSD-HXUWFJFHSA-N 2 1 369.513 2.117 20 30 FEEDMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590233 543296029 /nfs/dbraw/zinc/29/60/29/543296029.db2.gz LEUOZZALGBERSD-HXUWFJFHSA-N 2 1 369.513 2.117 20 30 FEEDMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000108590233 543296032 /nfs/dbraw/zinc/29/60/32/543296032.db2.gz LEUOZZALGBERSD-HXUWFJFHSA-N 2 1 369.513 2.117 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124467698 543823677 /nfs/dbraw/zinc/82/36/77/543823677.db2.gz VMCGXOOGSQPKNF-PXNSSMCTSA-N 2 1 356.514 2.457 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131785333 544206919 /nfs/dbraw/zinc/20/69/19/544206919.db2.gz PCAVEAPZMFUTDJ-QUCCMNQESA-N 2 1 353.510 2.358 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134876364 544324676 /nfs/dbraw/zinc/32/46/76/544324676.db2.gz IWOAARHBKFMFDJ-YFVAEKQCSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134876364 544324679 /nfs/dbraw/zinc/32/46/79/544324679.db2.gz IWOAARHBKFMFDJ-YFVAEKQCSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134876364 544324682 /nfs/dbraw/zinc/32/46/82/544324682.db2.gz IWOAARHBKFMFDJ-YFVAEKQCSA-N 2 1 355.482 2.247 20 30 FEEDMP Cn1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000190752393 328230215 /nfs/dbraw/zinc/23/02/15/328230215.db2.gz PEYXJMZAWGJSBS-OAQYLSRUSA-N 2 1 351.498 2.365 20 30 FEEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000174371053 327322771 /nfs/dbraw/zinc/32/27/71/327322771.db2.gz FAWLJBGTXZBBHQ-KRWDZBQOSA-N 2 1 352.438 2.138 20 30 FEEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000174371053 327322773 /nfs/dbraw/zinc/32/27/73/327322773.db2.gz FAWLJBGTXZBBHQ-KRWDZBQOSA-N 2 1 352.438 2.138 20 30 FEEDMP CC(C)CNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000264264210 549993179 /nfs/dbraw/zinc/99/31/79/549993179.db2.gz JZOMBDQEFXVGSQ-UHFFFAOYSA-N 2 1 362.518 2.237 20 30 FEEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)C1 ZINC000267467615 550032362 /nfs/dbraw/zinc/03/23/62/550032362.db2.gz WWOKGIGQPJULSC-GOSISDBHSA-N 2 1 365.481 2.311 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000273017215 550480933 /nfs/dbraw/zinc/48/09/33/550480933.db2.gz WKTCPUJWYQXXRO-SFHVURJKSA-N 2 1 354.454 2.189 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274796775 550555139 /nfs/dbraw/zinc/55/51/39/550555139.db2.gz DKPZWCWDUYHVKD-HBFSDRIKSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274796775 550555140 /nfs/dbraw/zinc/55/51/40/550555140.db2.gz DKPZWCWDUYHVKD-HBFSDRIKSA-N 2 1 356.514 2.495 20 30 FEEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1O ZINC000277476773 550675257 /nfs/dbraw/zinc/67/52/57/550675257.db2.gz KHWBPVRLDLICHL-GFCCVEGCSA-N 2 1 355.280 2.043 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1O ZINC000277476773 550675259 /nfs/dbraw/zinc/67/52/59/550675259.db2.gz KHWBPVRLDLICHL-GFCCVEGCSA-N 2 1 355.280 2.043 20 30 FEEDMP CN(CCC#N)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289404905 552316043 /nfs/dbraw/zinc/31/60/43/552316043.db2.gz HAVZHVYNWUHRGI-UHFFFAOYSA-N 2 1 357.546 2.494 20 30 FEEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000304757421 553747428 /nfs/dbraw/zinc/74/74/28/553747428.db2.gz OVPITPQJGBGKJG-MJGOQNOKSA-N 2 1 362.518 2.409 20 30 FEEDMP Cn1ccnc1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000329063961 553873744 /nfs/dbraw/zinc/87/37/44/553873744.db2.gz VNYPKIMNIAXRCD-IXDOHACOSA-N 2 1 361.490 2.018 20 30 FEEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000329734922 553997148 /nfs/dbraw/zinc/99/71/48/553997148.db2.gz RRYCDIBSNODLFW-KRWDZBQOSA-N 2 1 364.534 2.150 20 30 FEEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000330213154 554086387 /nfs/dbraw/zinc/08/63/87/554086387.db2.gz FCWMZOYWQWBPTM-GASCZTMLSA-N 2 1 366.506 2.231 20 30 FEEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000330213154 554086388 /nfs/dbraw/zinc/08/63/88/554086388.db2.gz FCWMZOYWQWBPTM-GASCZTMLSA-N 2 1 366.506 2.231 20 30 FEEDMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000330227973 554089079 /nfs/dbraw/zinc/08/90/79/554089079.db2.gz PLBUGPSUXSBDQU-KANFNMMFSA-N 2 1 366.550 2.083 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000364147207 555258779 /nfs/dbraw/zinc/25/87/79/555258779.db2.gz TXMSEDGKILSLHI-OLZOCXBDSA-N 2 1 373.432 2.371 20 30 FEEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)NCC3(CC#N)CC3)CC2)CC1 ZINC000366835750 555947022 /nfs/dbraw/zinc/94/70/22/555947022.db2.gz WXAZOVJTKSTIMC-UHFFFAOYSA-N 2 1 361.534 2.176 20 30 FEEDMP C[C@@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516207622 562036193 /nfs/dbraw/zinc/03/61/93/562036193.db2.gz HCGSDSUCOKUXKW-OAHLLOKOSA-N 2 1 365.437 2.111 20 30 FEEDMP C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517651103 562094714 /nfs/dbraw/zinc/09/47/14/562094714.db2.gz VZQMALYITWYZQA-HNNXBMFYSA-N 2 1 365.437 2.111 20 30 FEEDMP C=CCc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc(OC)c1O ZINC000415129712 559207037 /nfs/dbraw/zinc/20/70/37/559207037.db2.gz PMFPVFYPAVMRAI-KRWDZBQOSA-N 2 1 357.458 2.017 20 30 FEEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1(C#N)CCC1 ZINC000527128593 562277263 /nfs/dbraw/zinc/27/72/63/562277263.db2.gz CVCYMSBQEWFWCC-UHFFFAOYSA-N 2 1 355.486 2.182 20 30 FEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424274 562328637 /nfs/dbraw/zinc/32/86/37/562328637.db2.gz LMOZKXPQZOUHCH-RLLQIKCJSA-N 2 1 355.482 2.247 20 30 FEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652304 674963359 /nfs/dbraw/zinc/96/33/59/674963359.db2.gz XGFQPSSZKNGINP-KRWDZBQOSA-N 2 1 365.543 2.323 20 30 FEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000815652304 674963362 /nfs/dbraw/zinc/96/33/62/674963362.db2.gz XGFQPSSZKNGINP-KRWDZBQOSA-N 2 1 365.543 2.323 20 30 FEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000574313281 671225446 /nfs/dbraw/zinc/22/54/46/671225446.db2.gz SCZMZOSNSSJPGO-MRXNPFEDSA-N 2 1 369.303 2.429 20 30 FEEDMP C=C(Br)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000151005360 672155439 /nfs/dbraw/zinc/15/54/39/672155439.db2.gz CMCXPUJLMWHCNJ-UHFFFAOYSA-N 2 1 360.340 2.455 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000261678189 672901257 /nfs/dbraw/zinc/90/12/57/672901257.db2.gz BRZQPFPKQPPDMP-ZOBUZTSGSA-N 2 1 350.532 2.333 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)cc(Br)c1 ZINC000303904462 673019290 /nfs/dbraw/zinc/01/92/90/673019290.db2.gz YTZOYXXZXAYDAY-AWEZNQCLSA-N 2 1 357.271 2.477 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000838622636 680706523 /nfs/dbraw/zinc/70/65/23/680706523.db2.gz WWSMHRZLIWKDEU-KRWDZBQOSA-N 2 1 350.894 2.197 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393099 681076876 /nfs/dbraw/zinc/07/68/76/681076876.db2.gz DVSDUEOECKPKNJ-RBSFLKMASA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393099 681076877 /nfs/dbraw/zinc/07/68/77/681076877.db2.gz DVSDUEOECKPKNJ-RBSFLKMASA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393099 681076878 /nfs/dbraw/zinc/07/68/78/681076878.db2.gz DVSDUEOECKPKNJ-RBSFLKMASA-N 2 1 358.324 2.206 20 30 FEEDMP C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393099 681076879 /nfs/dbraw/zinc/07/68/79/681076879.db2.gz DVSDUEOECKPKNJ-RBSFLKMASA-N 2 1 358.324 2.206 20 30 FEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846100834 681183173 /nfs/dbraw/zinc/18/31/73/681183173.db2.gz AMMFXWPFLARVFR-HKUYNNGSSA-N 2 1 359.539 2.434 20 30 FEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846100834 681183176 /nfs/dbraw/zinc/18/31/76/681183176.db2.gz AMMFXWPFLARVFR-HKUYNNGSSA-N 2 1 359.539 2.434 20 30 FEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000846100834 681183179 /nfs/dbraw/zinc/18/31/79/681183179.db2.gz AMMFXWPFLARVFR-HKUYNNGSSA-N 2 1 359.539 2.434 20 30 FEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000846100834 681183182 /nfs/dbraw/zinc/18/31/82/681183182.db2.gz AMMFXWPFLARVFR-HKUYNNGSSA-N 2 1 359.539 2.434 20 30 FEEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652699 681735713 /nfs/dbraw/zinc/73/57/13/681735713.db2.gz HVPUPNMQDAMCMM-INIZCTEOSA-N 2 1 366.849 2.350 20 30 FEEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)ccc2OCC#N)C1 ZINC000779652699 681735718 /nfs/dbraw/zinc/73/57/18/681735718.db2.gz HVPUPNMQDAMCMM-INIZCTEOSA-N 2 1 366.849 2.350 20 30 FEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485169 684291020 /nfs/dbraw/zinc/29/10/20/684291020.db2.gz WGJCCEJMZUIDHI-INIZCTEOSA-N 2 1 365.543 2.040 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079550065 542526249 /nfs/dbraw/zinc/52/62/49/542526249.db2.gz MJBMIVXYLRFZIW-WOJBJXKFSA-N 2 1 369.513 2.258 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1 ZINC000081525249 542663399 /nfs/dbraw/zinc/66/33/99/542663399.db2.gz FUNQDVWHIMEZIQ-LJQANCHMSA-N 2 1 368.529 2.405 20 30 FEEDMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000367201682 330229146 /nfs/dbraw/zinc/22/91/46/330229146.db2.gz USCDMZYNMXGSJQ-IBGZPJMESA-N 2 1 352.482 2.471 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194149102 548440706 /nfs/dbraw/zinc/44/07/06/548440706.db2.gz ZQBOSPZMFVECNH-LJQANCHMSA-N 2 1 356.514 2.458 20 30 FEEDMP CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245457113 548926031 /nfs/dbraw/zinc/92/60/31/548926031.db2.gz UDJDLDANYMAGSH-AZUAARDMSA-N 2 1 356.514 2.448 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261965019 549774406 /nfs/dbraw/zinc/77/44/06/549774406.db2.gz LETLMJQWLWXMMB-SJLPKXTDSA-N 2 1 373.545 2.090 20 30 FEEDMP C[C@@H](NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000267446779 550031664 /nfs/dbraw/zinc/03/16/64/550031664.db2.gz QHDKJYRPZYUASP-DGCLKSJQSA-N 2 1 358.317 2.205 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274796773 550555051 /nfs/dbraw/zinc/55/50/51/550555051.db2.gz DKPZWCWDUYHVKD-GGPKGHCWSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274796773 550555052 /nfs/dbraw/zinc/55/50/52/550555052.db2.gz DKPZWCWDUYHVKD-GGPKGHCWSA-N 2 1 356.514 2.495 20 30 FEEDMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+]1CCCCCC1 ZINC000329172505 553895119 /nfs/dbraw/zinc/89/51/19/553895119.db2.gz AGHDRBOJLNWFBE-CSNJMZFVSA-N 2 1 364.534 2.291 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(F)cccc1C#N ZINC000509076812 561783925 /nfs/dbraw/zinc/78/39/25/561783925.db2.gz HESKMEGBWBIWTF-KRWDZBQOSA-N 2 1 360.477 2.114 20 30 FEEDMP N#CCCn1cc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719981 554983644 /nfs/dbraw/zinc/98/36/44/554983644.db2.gz QSEXEWYMBLTIPS-WOJBJXKFSA-N 2 1 365.481 2.417 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719981 554983645 /nfs/dbraw/zinc/98/36/45/554983645.db2.gz QSEXEWYMBLTIPS-WOJBJXKFSA-N 2 1 365.481 2.417 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372715902 557545161 /nfs/dbraw/zinc/54/51/61/557545161.db2.gz KTXIUJCSJVKQQY-OAHLLOKOSA-N 2 1 372.517 2.002 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372715902 557545162 /nfs/dbraw/zinc/54/51/62/557545162.db2.gz KTXIUJCSJVKQQY-OAHLLOKOSA-N 2 1 372.517 2.002 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783801 558221129 /nfs/dbraw/zinc/22/11/29/558221129.db2.gz ZKJHYPJKTRAGNU-WOJBJXKFSA-N 2 1 370.497 2.096 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783801 558221131 /nfs/dbraw/zinc/22/11/31/558221131.db2.gz ZKJHYPJKTRAGNU-WOJBJXKFSA-N 2 1 370.497 2.096 20 30 FEEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000521995355 562188446 /nfs/dbraw/zinc/18/84/46/562188446.db2.gz DUEHCIICLAVISC-WOJBJXKFSA-N 2 1 358.530 2.083 20 30 FEEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000521995355 562188447 /nfs/dbraw/zinc/18/84/47/562188447.db2.gz DUEHCIICLAVISC-WOJBJXKFSA-N 2 1 358.530 2.083 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3C#N)C2)CC1 ZINC000449497096 560231943 /nfs/dbraw/zinc/23/19/43/560231943.db2.gz KEAOZNHGBYENCZ-LJQANCHMSA-N 2 1 354.498 2.324 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000529357343 562370855 /nfs/dbraw/zinc/37/08/55/562370855.db2.gz LQDSDAKLBMMCAL-IBGZPJMESA-N 2 1 367.497 2.060 20 30 FEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000602709269 568018642 /nfs/dbraw/zinc/01/86/42/568018642.db2.gz JCWHBMPMHQJUNF-PXNSSMCTSA-N 2 1 357.498 2.442 20 30 FEEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000303989007 673019860 /nfs/dbraw/zinc/01/98/60/673019860.db2.gz XFUGQRNRDDBPEV-UHFFFAOYSA-N 2 1 352.910 2.244 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000304762919 673020808 /nfs/dbraw/zinc/02/08/08/673020808.db2.gz WEZZARFFMYQGJD-QGZVFWFLSA-N 3 1 367.607 2.127 20 30 FEEDMP C=C(Br)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016632544 680059752 /nfs/dbraw/zinc/05/97/52/680059752.db2.gz RHRYURLGBQTBOY-KFWWJZLASA-N 2 1 370.335 2.206 20 30 FEEDMP C=C(Br)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632544 680059754 /nfs/dbraw/zinc/05/97/54/680059754.db2.gz RHRYURLGBQTBOY-KFWWJZLASA-N 2 1 370.335 2.206 20 30 FEEDMP C=C(Cl)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672287 680637402 /nfs/dbraw/zinc/63/74/02/680637402.db2.gz QBKNCNWRPPQSDY-IXDOHACOSA-N 2 1 369.937 2.066 20 30 FEEDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000933739874 681460511 /nfs/dbraw/zinc/46/05/11/681460511.db2.gz JGVATDAAHGHGBP-YJYMSZOUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000933739874 681460513 /nfs/dbraw/zinc/46/05/13/681460513.db2.gz JGVATDAAHGHGBP-YJYMSZOUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000933739874 681460514 /nfs/dbraw/zinc/46/05/14/681460514.db2.gz JGVATDAAHGHGBP-YJYMSZOUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000933739874 681460517 /nfs/dbraw/zinc/46/05/17/681460517.db2.gz JGVATDAAHGHGBP-YJYMSZOUSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080572478 542595301 /nfs/dbraw/zinc/59/53/01/542595301.db2.gz YRNKDDGTBAJJJL-UXHICEINSA-N 2 1 354.498 2.323 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000129172535 544094989 /nfs/dbraw/zinc/09/49/89/544094989.db2.gz AEZWKCNHKLAPHS-QZTJIDSGSA-N 2 1 360.502 2.051 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079458602 325091494 /nfs/dbraw/zinc/09/14/94/325091494.db2.gz JZUDJTIKGUQEOC-IBGZPJMESA-N 2 1 369.513 2.116 20 30 FEEDMP CC[N@H+](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000089676156 325326808 /nfs/dbraw/zinc/32/68/08/325326808.db2.gz YKEAYSZPLPEGCW-KRWDZBQOSA-N 2 1 354.458 2.065 20 30 FEEDMP CC[N@@H+](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1 ZINC000089676156 325326811 /nfs/dbraw/zinc/32/68/11/325326811.db2.gz YKEAYSZPLPEGCW-KRWDZBQOSA-N 2 1 354.458 2.065 20 30 FEEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000268170405 329392888 /nfs/dbraw/zinc/39/28/88/329392888.db2.gz QMKZAXZEYAZGLK-UZLBHIALSA-N 2 1 369.513 2.114 20 30 FEEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1 ZINC000183157970 547612197 /nfs/dbraw/zinc/61/21/97/547612197.db2.gz UMUATTJIOSXODF-MRXNPFEDSA-N 2 1 364.453 2.487 20 30 FEEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261955262 549773646 /nfs/dbraw/zinc/77/36/46/549773646.db2.gz IOXVSBHKDVLEMJ-MWLCHTKSSA-N 2 1 361.437 2.310 20 30 FEEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000264085092 549977200 /nfs/dbraw/zinc/97/72/00/549977200.db2.gz IZBMIAYSUZDJFD-ZDUSSCGKSA-N 2 1 373.423 2.195 20 30 FEEDMP CCOCCOCc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264124051 549982195 /nfs/dbraw/zinc/98/21/95/549982195.db2.gz VXYNCZBALQXQIO-LJQANCHMSA-N 2 1 362.518 2.128 20 30 FEEDMP CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000264142244 549984526 /nfs/dbraw/zinc/98/45/26/549984526.db2.gz WWDJXNVECCUMHG-SFHVURJKSA-N 2 1 359.518 2.057 20 30 FEEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270538549 550281503 /nfs/dbraw/zinc/28/15/03/550281503.db2.gz BGSBAYVQPSYHGW-CZUORRHYSA-N 2 1 354.857 2.119 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296749353 553206732 /nfs/dbraw/zinc/20/67/32/553206732.db2.gz DZIAMMVOJSXXNC-UHFFFAOYSA-N 2 1 371.529 2.285 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311941169 553755513 /nfs/dbraw/zinc/75/55/13/553755513.db2.gz HXESVNMWCPVQAC-VQTJNVASSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311941169 553755516 /nfs/dbraw/zinc/75/55/16/553755516.db2.gz HXESVNMWCPVQAC-VQTJNVASSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311941169 553755520 /nfs/dbraw/zinc/75/55/20/553755520.db2.gz HXESVNMWCPVQAC-VQTJNVASSA-N 2 1 354.498 2.202 20 30 FEEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000329892507 554025633 /nfs/dbraw/zinc/02/56/33/554025633.db2.gz AASGGCWAKRABOL-IEBWSBKVSA-N 2 1 374.529 2.124 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#N)nc1 ZINC000363320486 555077755 /nfs/dbraw/zinc/07/77/55/555077755.db2.gz CTQKVEPKHIKCMJ-UHFFFAOYSA-N 2 1 369.513 2.222 20 30 FEEDMP C=CCOc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000512536912 561908564 /nfs/dbraw/zinc/90/85/64/561908564.db2.gz MGHHWQBXMDMDOO-UHFFFAOYSA-N 2 1 353.470 2.083 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000365746078 555658104 /nfs/dbraw/zinc/65/81/04/555658104.db2.gz HVMLIRBOLWADCY-FGZHOGPDSA-N 2 1 365.521 2.312 20 30 FEEDMP Cc1cc(C#N)nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000367426692 556045653 /nfs/dbraw/zinc/04/56/53/556045653.db2.gz RCXQJJLITGLGSY-UHFFFAOYSA-N 2 1 356.518 2.289 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000518496330 562112941 /nfs/dbraw/zinc/11/29/41/562112941.db2.gz VGYMGUUADKXJSX-LJQANCHMSA-N 2 1 356.514 2.450 20 30 FEEDMP C=CCN1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1=O ZINC000374185530 557839621 /nfs/dbraw/zinc/83/96/21/557839621.db2.gz DIQSFFXODIFLGI-NRFANRHFSA-N 2 1 370.541 2.436 20 30 FEEDMP C=CCN1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1=O ZINC000374185530 557839623 /nfs/dbraw/zinc/83/96/23/557839623.db2.gz DIQSFFXODIFLGI-NRFANRHFSA-N 2 1 370.541 2.436 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375459709 558030909 /nfs/dbraw/zinc/03/09/09/558030909.db2.gz LMLANGCEKKXEGM-KBAYOESNSA-N 2 1 358.486 2.059 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375459709 558030911 /nfs/dbraw/zinc/03/09/11/558030911.db2.gz LMLANGCEKKXEGM-KBAYOESNSA-N 2 1 358.486 2.059 20 30 FEEDMP C=CCc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(OC)c1O ZINC000415047586 559202285 /nfs/dbraw/zinc/20/22/85/559202285.db2.gz DZSHMBAQBZTGBD-UHFFFAOYSA-N 2 1 359.514 2.435 20 30 FEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C(C)C ZINC000417061770 559346270 /nfs/dbraw/zinc/34/62/70/559346270.db2.gz LGORUGZVHYRSFZ-UXHICEINSA-N 2 1 371.529 2.436 20 30 FEEDMP CN(C[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000420645071 559495048 /nfs/dbraw/zinc/49/50/48/559495048.db2.gz ZWQMRLBMNLEGMG-MSOLQXFVSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@H]1CCC[NH+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420645071 559495049 /nfs/dbraw/zinc/49/50/49/559495049.db2.gz ZWQMRLBMNLEGMG-MSOLQXFVSA-N 2 1 356.518 2.014 20 30 FEEDMP CN(C[C@H]1CCC[NH+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420645071 559495050 /nfs/dbraw/zinc/49/50/50/559495050.db2.gz ZWQMRLBMNLEGMG-MSOLQXFVSA-N 2 1 356.518 2.014 20 30 FEEDMP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000437986889 559972633 /nfs/dbraw/zinc/97/26/33/559972633.db2.gz NSQZRUYYKONAFN-FHWLQOOXSA-N 2 1 366.550 2.025 20 30 FEEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469850056 560966769 /nfs/dbraw/zinc/96/67/69/560966769.db2.gz GMQNBVVQIODGPG-UYAOXDASSA-N 2 1 357.498 2.332 20 30 FEEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469867387 560967403 /nfs/dbraw/zinc/96/74/03/560967403.db2.gz VQCYFDUDDPJNDL-PKOBYXMFSA-N 2 1 357.498 2.332 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000469866532 560967435 /nfs/dbraw/zinc/96/74/35/560967435.db2.gz ZDOSTCSPVXRLPU-AZUAARDMSA-N 2 1 357.498 2.332 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000472269426 561022447 /nfs/dbraw/zinc/02/24/47/561022447.db2.gz WCABNUJHSOKOIN-INIZCTEOSA-N 2 1 364.515 2.381 20 30 FEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502650 562332802 /nfs/dbraw/zinc/33/28/02/562332802.db2.gz JZSHEZPMCWWQLS-DLBZAZTESA-N 2 1 356.470 2.190 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000529357347 562370799 /nfs/dbraw/zinc/37/07/99/562370799.db2.gz LQDSDAKLBMMCAL-LJQANCHMSA-N 2 1 367.497 2.060 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1 ZINC000304771927 673020608 /nfs/dbraw/zinc/02/06/08/673020608.db2.gz AKCSPMPHDIQFRQ-OAHLLOKOSA-N 2 1 363.472 2.039 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662449113 678622416 /nfs/dbraw/zinc/62/24/16/678622416.db2.gz VKZHVLIAJWOJEO-HNNXBMFYSA-N 2 1 352.276 2.216 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001026855356 680351690 /nfs/dbraw/zinc/35/16/90/680351690.db2.gz FHRTYXTXIIKJLI-FHLIZLRMSA-N 2 1 360.527 2.288 20 30 FEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001002846083 680510106 /nfs/dbraw/zinc/51/01/06/680510106.db2.gz AGSLYFHMBKZLQI-MSOLQXFVSA-N 2 1 369.937 2.066 20 30 FEEDMP CC(=NNC(=S)NCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779777958 681752401 /nfs/dbraw/zinc/75/24/01/681752401.db2.gz XLIVXWUELQDCMJ-SFHVURJKSA-N 2 1 361.559 2.300 20 30 FEEDMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3ccc(C#N)cc32)c2c1CC[NH2+]C2 ZINC001164681867 719610879 /nfs/dbraw/zinc/61/08/79/719610879.db2.gz BLZFHRLZKIORNK-UHFFFAOYSA-N 2 1 361.453 2.173 20 30 FEEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3ccc(C#N)cc32)c2c1CC[NH2+]C2 ZINC001164681867 719610884 /nfs/dbraw/zinc/61/08/84/719610884.db2.gz BLZFHRLZKIORNK-UHFFFAOYSA-N 2 1 361.453 2.173 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)cc1 ZINC000123055312 543739999 /nfs/dbraw/zinc/73/99/99/543739999.db2.gz ZEXQOSXGNKGGOM-OAQYLSRUSA-N 2 1 366.509 2.467 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000172135002 546238364 /nfs/dbraw/zinc/23/83/64/546238364.db2.gz PFFDYIKMCOECJM-UHFFFAOYSA-N 2 1 357.502 2.308 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245970672 549029623 /nfs/dbraw/zinc/02/96/23/549029623.db2.gz FLSJFAHDOGXALV-DLBZAZTESA-N 2 1 364.534 2.363 20 30 FEEDMP Cn1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000249615737 549612321 /nfs/dbraw/zinc/61/23/21/549612321.db2.gz PEYXJMZAWGJSBS-NRFANRHFSA-N 2 1 351.498 2.365 20 30 FEEDMP C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261937883 549771755 /nfs/dbraw/zinc/77/17/55/549771755.db2.gz CXTMPBOQQRLEOP-KDOFPFPSSA-N 2 1 352.486 2.224 20 30 FEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Br)cc1 ZINC000262587962 549830300 /nfs/dbraw/zinc/83/03/00/549830300.db2.gz TXTHHKXUDKXYNB-CQSZACIVSA-N 2 1 353.308 2.408 20 30 FEEDMP CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1CC[N@@H+](C)C1 ZINC000263985469 549964159 /nfs/dbraw/zinc/96/41/59/549964159.db2.gz SVVVVRDIXJWJHG-GOSISDBHSA-N 2 1 362.518 2.109 20 30 FEEDMP Cc1ccc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000264108309 549980190 /nfs/dbraw/zinc/98/01/90/549980190.db2.gz PYENOZYNNOWRCM-UHFFFAOYSA-N 2 1 352.486 2.377 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642819 550022585 /nfs/dbraw/zinc/02/25/85/550022585.db2.gz UZHGNWOWFILPEC-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(OC)c1 ZINC000266642819 550022587 /nfs/dbraw/zinc/02/25/87/550022587.db2.gz UZHGNWOWFILPEC-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642819 550022589 /nfs/dbraw/zinc/02/25/89/550022589.db2.gz UZHGNWOWFILPEC-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642819 550022593 /nfs/dbraw/zinc/02/25/93/550022593.db2.gz UZHGNWOWFILPEC-RTBURBONSA-N 2 1 362.514 2.437 20 30 FEEDMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000516856936 562060793 /nfs/dbraw/zinc/06/07/93/562060793.db2.gz IMBUGGINHLXDAP-FXAWDEMLSA-N 2 1 369.513 2.164 20 30 FEEDMP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000372671960 557534423 /nfs/dbraw/zinc/53/44/23/557534423.db2.gz FTOYBWKXHLVVQP-LEWJYISDSA-N 2 1 350.466 2.361 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783799 558221226 /nfs/dbraw/zinc/22/12/26/558221226.db2.gz ZKJHYPJKTRAGNU-UXHICEINSA-N 2 1 370.497 2.096 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783799 558221227 /nfs/dbraw/zinc/22/12/27/558221227.db2.gz ZKJHYPJKTRAGNU-UXHICEINSA-N 2 1 370.497 2.096 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000418408336 559400577 /nfs/dbraw/zinc/40/05/77/559400577.db2.gz GIWPLWQTGKRPNX-UXHICEINSA-N 2 1 369.513 2.293 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[NH+](C)[C@H]3C)n2)CCC[N@H+]1C ZINC000436354611 559940464 /nfs/dbraw/zinc/94/04/64/559940464.db2.gz CBPGUBDJAMBLQO-CYGHRXIMSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@H+](C)[C@H]3C)n2)CCC[NH+]1C ZINC000436354611 559940465 /nfs/dbraw/zinc/94/04/65/559940465.db2.gz CBPGUBDJAMBLQO-CYGHRXIMSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@@H+](C)[C@H]3C)n2)CCC[NH+]1C ZINC000436354611 559940466 /nfs/dbraw/zinc/94/04/66/559940466.db2.gz CBPGUBDJAMBLQO-CYGHRXIMSA-N 2 1 356.518 2.742 20 30 FEEDMP COCC[NH+]1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437096332 559960394 /nfs/dbraw/zinc/96/03/94/559960394.db2.gz SVQNPIYSNBSDTI-UHFFFAOYSA-N 2 1 358.486 2.344 20 30 FEEDMP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000437986891 559972659 /nfs/dbraw/zinc/97/26/59/559972659.db2.gz NSQZRUYYKONAFN-QRVBRYPASA-N 2 1 366.550 2.025 20 30 FEEDMP C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062871 560249655 /nfs/dbraw/zinc/24/96/55/560249655.db2.gz WEQJSHANHGOJQM-UXHICEINSA-N 2 1 363.546 2.232 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000472269427 561022555 /nfs/dbraw/zinc/02/25/55/561022555.db2.gz WCABNUJHSOKOIN-MRXNPFEDSA-N 2 1 364.515 2.381 20 30 FEEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000528502653 562332865 /nfs/dbraw/zinc/33/28/65/562332865.db2.gz JZSHEZPMCWWQLS-SJORKVTESA-N 2 1 356.470 2.190 20 30 FEEDMP C[NH+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000568382296 568035471 /nfs/dbraw/zinc/03/54/71/568035471.db2.gz XBNCLNBXNBLPLU-UHFFFAOYSA-N 2 1 357.479 2.183 20 30 FEEDMP C[NH+]=C(NCc1nccn1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984444 670651358 /nfs/dbraw/zinc/65/13/58/670651358.db2.gz MXAFGBHVXFPLHL-YOEHRIQHSA-N 2 1 360.531 2.230 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592071183 672746870 /nfs/dbraw/zinc/74/68/70/672746870.db2.gz JBBUQNPEJVIJNB-SCTDSRPQSA-N 2 1 351.535 2.277 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592071183 672746873 /nfs/dbraw/zinc/74/68/73/672746873.db2.gz JBBUQNPEJVIJNB-SCTDSRPQSA-N 2 1 351.535 2.277 20 30 FEEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262788265 672920966 /nfs/dbraw/zinc/92/09/66/672920966.db2.gz NEYSNGSKHJEUMV-VCOHRLAKSA-N 2 1 350.551 2.498 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662449114 678622503 /nfs/dbraw/zinc/62/25/03/678622503.db2.gz VKZHVLIAJWOJEO-OAHLLOKOSA-N 2 1 352.276 2.216 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001023994045 680277498 /nfs/dbraw/zinc/27/74/98/680277498.db2.gz XNDPEXWLNQIGNL-RVKKMQEKSA-N 2 1 360.527 2.288 20 30 FEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001418847 680461400 /nfs/dbraw/zinc/46/14/00/680461400.db2.gz NQLWDQPHUMDHOX-UKRRQHHQSA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001418847 680461403 /nfs/dbraw/zinc/46/14/03/680461403.db2.gz NQLWDQPHUMDHOX-UKRRQHHQSA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566428 681907643 /nfs/dbraw/zinc/90/76/43/681907643.db2.gz PJGGOLKICIZOSX-IAGOWNOFSA-N 2 1 369.937 2.163 20 30 FEEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000957566428 681907646 /nfs/dbraw/zinc/90/76/46/681907646.db2.gz PJGGOLKICIZOSX-IAGOWNOFSA-N 2 1 369.937 2.163 20 30 FEEDMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)c(F)cc2C#N)c2c1CC[NH2+]C2 ZINC001164684241 719602984 /nfs/dbraw/zinc/60/29/84/719602984.db2.gz NUFQKRCTCWMWBR-UHFFFAOYSA-N 2 1 362.840 2.417 20 30 FEEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)c(F)cc2C#N)c2c1CC[NH2+]C2 ZINC001164684241 719602990 /nfs/dbraw/zinc/60/29/90/719602990.db2.gz NUFQKRCTCWMWBR-UHFFFAOYSA-N 2 1 362.840 2.417 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000067859984 541521774 /nfs/dbraw/zinc/52/17/74/541521774.db2.gz RBIVOHRMQIHZQR-UHFFFAOYSA-N 2 1 354.429 2.281 20 30 FEEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000104714478 543138562 /nfs/dbraw/zinc/13/85/62/543138562.db2.gz BCHFVMBKJLOJPH-UHFFFAOYSA-N 2 1 370.497 2.002 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)cc1 ZINC000130572301 544156458 /nfs/dbraw/zinc/15/64/58/544156458.db2.gz DEILIYILGFNRTE-LJQANCHMSA-N 2 1 363.465 2.052 20 30 FEEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000079269593 325084651 /nfs/dbraw/zinc/08/46/51/325084651.db2.gz WOGLDLOMKIENKU-GOSISDBHSA-N 2 1 371.529 2.363 20 30 FEEDMP C#CCC[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000162560559 546140298 /nfs/dbraw/zinc/14/02/98/546140298.db2.gz SJXCIIGSEPRKJU-UHFFFAOYSA-N 2 1 353.510 2.456 20 30 FEEDMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000269431477 550194992 /nfs/dbraw/zinc/19/49/92/550194992.db2.gz PQBNPNWYPHHRSS-UHFFFAOYSA-N 2 1 354.429 2.279 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270476676 550276162 /nfs/dbraw/zinc/27/61/62/550276162.db2.gz IRPAJQBVXZZFOL-IBGZPJMESA-N 2 1 372.513 2.006 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000274838558 550558421 /nfs/dbraw/zinc/55/84/21/550558421.db2.gz NWUDVWGYZKWGMH-PBEJRMEISA-N 2 1 354.498 2.295 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000274838558 550558423 /nfs/dbraw/zinc/55/84/23/550558423.db2.gz NWUDVWGYZKWGMH-PBEJRMEISA-N 2 1 354.498 2.295 20 30 FEEDMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000501024735 561587940 /nfs/dbraw/zinc/58/79/40/561587940.db2.gz XDNXOJKZVGDUAQ-HXUWFJFHSA-N 2 1 363.465 2.328 20 30 FEEDMP C[N@@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCSC1 ZINC000328971361 553856240 /nfs/dbraw/zinc/85/62/40/553856240.db2.gz VCNPNRMEAQDTCQ-BBWFWOEESA-N 2 1 355.548 2.148 20 30 FEEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCOCC3)[C@H]2C)C1 ZINC000329697384 553991253 /nfs/dbraw/zinc/99/12/53/553991253.db2.gz YHDZVHRAKCTWSL-QZTJIDSGSA-N 2 1 367.534 2.191 20 30 FEEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)C1 ZINC000329697384 553991258 /nfs/dbraw/zinc/99/12/58/553991258.db2.gz YHDZVHRAKCTWSL-QZTJIDSGSA-N 2 1 367.534 2.191 20 30 FEEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)C1 ZINC000329697384 553991262 /nfs/dbraw/zinc/99/12/62/553991262.db2.gz YHDZVHRAKCTWSL-QZTJIDSGSA-N 2 1 367.534 2.191 20 30 FEEDMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330230338 554089109 /nfs/dbraw/zinc/08/91/09/554089109.db2.gz QLWMONLNGJPSDD-IPMKNSEASA-N 2 1 366.550 2.084 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)CCC#N ZINC000513130219 561926365 /nfs/dbraw/zinc/92/63/65/561926365.db2.gz RPUFCDXIRWQWFP-QGZVFWFLSA-N 2 1 351.539 2.374 20 30 FEEDMP C[N@@H+]1CCN(CC[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccccc2)C1 ZINC000369480654 556608393 /nfs/dbraw/zinc/60/83/93/556608393.db2.gz QZDGLDSSEYJYDA-OAQYLSRUSA-N 2 1 374.492 2.284 20 30 FEEDMP C[N@H+]1CCN(CC[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccccc2)C1 ZINC000369480654 556608394 /nfs/dbraw/zinc/60/83/94/556608394.db2.gz QZDGLDSSEYJYDA-OAQYLSRUSA-N 2 1 374.492 2.284 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259022 557123066 /nfs/dbraw/zinc/12/30/66/557123066.db2.gz FGZZZMBAIADVAZ-IBGZPJMESA-N 2 1 372.513 2.046 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000518022730 562102846 /nfs/dbraw/zinc/10/28/46/562102846.db2.gz KDABAGPYHPLNGA-UHFFFAOYSA-N 2 1 356.514 2.207 20 30 FEEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372715900 557545096 /nfs/dbraw/zinc/54/50/96/557545096.db2.gz KTXIUJCSJVKQQY-HNNXBMFYSA-N 2 1 372.517 2.002 20 30 FEEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372715900 557545099 /nfs/dbraw/zinc/54/50/99/557545099.db2.gz KTXIUJCSJVKQQY-HNNXBMFYSA-N 2 1 372.517 2.002 20 30 FEEDMP C[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373219740 557652095 /nfs/dbraw/zinc/65/20/95/557652095.db2.gz VOTRJQCQUXSZEG-HXUWFJFHSA-N 2 1 356.514 2.427 20 30 FEEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377766671 558415821 /nfs/dbraw/zinc/41/58/21/558415821.db2.gz LEKQGMLWXYUITK-PMACEKPBSA-N 2 1 354.498 2.202 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000377819794 558426496 /nfs/dbraw/zinc/42/64/96/558426496.db2.gz ZLODWUBNBHMARW-PWRODBHTSA-N 2 1 351.494 2.093 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000418408337 559400551 /nfs/dbraw/zinc/40/05/51/559400551.db2.gz GIWPLWQTGKRPNX-VQTJNVASSA-N 2 1 369.513 2.293 20 30 FEEDMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418445066 559401923 /nfs/dbraw/zinc/40/19/23/559401923.db2.gz MWUOAATXCMAISY-IBGZPJMESA-N 2 1 357.502 2.293 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000433335265 559877300 /nfs/dbraw/zinc/87/73/00/559877300.db2.gz KYUCSOVTQMUOBQ-MRXNPFEDSA-N 2 1 350.470 2.433 20 30 FEEDMP C[NH+]=C(NCc1ccsc1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000085202489 670679238 /nfs/dbraw/zinc/67/92/38/670679238.db2.gz RLDNSMCHBGIPFX-UHFFFAOYSA-N 2 1 363.575 2.363 20 30 FEEDMP C[NH+]=C(NCCc1ccc(Cl)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179070467 672398563 /nfs/dbraw/zinc/39/85/63/672398563.db2.gz FQIFRWYZLXCRLU-CQSZACIVSA-N 2 1 370.950 2.174 20 30 FEEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261814466 672903621 /nfs/dbraw/zinc/90/36/21/672903621.db2.gz SZXHPGSEYZMEPJ-INIZCTEOSA-N 2 1 360.893 2.289 20 30 FEEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCSCC3)CC2)cs1 ZINC000262539398 672917438 /nfs/dbraw/zinc/91/74/38/672917438.db2.gz RFESMADGTUMTBB-UHFFFAOYSA-N 2 1 367.588 2.281 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303884133 673018644 /nfs/dbraw/zinc/01/86/44/673018644.db2.gz MQYKJJJNRPBBTR-QGZVFWFLSA-N 3 1 363.575 2.349 20 30 FEEDMP CCCN(CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C(=O)OC(C)(C)C ZINC000305269408 673021490 /nfs/dbraw/zinc/02/14/90/673021490.db2.gz SFZOUXBDOGRLDP-OAHLLOKOSA-N 2 1 355.527 2.022 20 30 FEEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)CC1 ZINC000928801661 683505896 /nfs/dbraw/zinc/50/58/96/683505896.db2.gz BFLKWIOFOCOHOC-OAHLLOKOSA-N 2 1 360.424 2.143 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000876719811 686252932 /nfs/dbraw/zinc/25/29/32/686252932.db2.gz WEMOIUDNWXEEGZ-DAYGRLMNSA-N 2 1 365.905 2.382 20 30 FEEDMP C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1Cl ZINC000884179169 687809778 /nfs/dbraw/zinc/80/97/78/687809778.db2.gz HCLJFTZKYMRQNU-NKCCXGTCSA-N 2 1 360.889 2.198 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CCc1ccccc1 ZINC000081525031 542663471 /nfs/dbraw/zinc/66/34/71/542663471.db2.gz OMUXIYUWGWUFCU-SFHVURJKSA-N 2 1 354.502 2.014 20 30 FEEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C#N ZINC000089677614 542768431 /nfs/dbraw/zinc/76/84/31/542768431.db2.gz LNGUPAJVDXQHEX-GOSISDBHSA-N 2 1 366.469 2.036 20 30 FEEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1C#N ZINC000089677614 542768433 /nfs/dbraw/zinc/76/84/33/542768433.db2.gz LNGUPAJVDXQHEX-GOSISDBHSA-N 2 1 366.469 2.036 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821448 542888911 /nfs/dbraw/zinc/88/89/11/542888911.db2.gz KGLGFDKXBNWENX-QGZVFWFLSA-N 2 1 357.502 2.380 20 30 FEEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000104138179 543124298 /nfs/dbraw/zinc/12/42/98/543124298.db2.gz IWGHOVHDDFROSS-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000104138179 543124300 /nfs/dbraw/zinc/12/43/00/543124300.db2.gz IWGHOVHDDFROSS-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000104138179 543124302 /nfs/dbraw/zinc/12/43/02/543124302.db2.gz IWGHOVHDDFROSS-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000104138179 543124303 /nfs/dbraw/zinc/12/43/03/543124303.db2.gz IWGHOVHDDFROSS-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000153916468 544840011 /nfs/dbraw/zinc/84/00/11/544840011.db2.gz RZXDXFGYYRDNGD-KDURUIRLSA-N 2 1 356.514 2.427 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000153916468 544840014 /nfs/dbraw/zinc/84/00/14/544840014.db2.gz RZXDXFGYYRDNGD-KDURUIRLSA-N 2 1 356.514 2.427 20 30 FEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153941432 544843537 /nfs/dbraw/zinc/84/35/37/544843537.db2.gz UFNSOOSUZJGPDT-HSALFYBXSA-N 2 1 364.578 2.290 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183684832 547701281 /nfs/dbraw/zinc/70/12/81/547701281.db2.gz MRBHKTNZVWZWDS-KBPBESRZSA-N 2 1 355.442 2.232 20 30 FEEDMP C=CC[N@H+](CCOC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191129963 548340270 /nfs/dbraw/zinc/34/02/70/548340270.db2.gz SFVZHVYJKCSWPC-GOSISDBHSA-N 2 1 359.514 2.290 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194149084 548440512 /nfs/dbraw/zinc/44/05/12/548440512.db2.gz ZQBOSPZMFVECNH-IBGZPJMESA-N 2 1 356.514 2.458 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000264114932 549980640 /nfs/dbraw/zinc/98/06/40/549980640.db2.gz SEQKPVIPFLSQKQ-UHFFFAOYSA-N 2 1 354.454 2.489 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000264114932 549980643 /nfs/dbraw/zinc/98/06/43/549980643.db2.gz SEQKPVIPFLSQKQ-UHFFFAOYSA-N 2 1 354.454 2.489 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642816 550022687 /nfs/dbraw/zinc/02/26/87/550022687.db2.gz UZHGNWOWFILPEC-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(OC)c1 ZINC000266642816 550022691 /nfs/dbraw/zinc/02/26/91/550022691.db2.gz UZHGNWOWFILPEC-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642816 550022694 /nfs/dbraw/zinc/02/26/94/550022694.db2.gz UZHGNWOWFILPEC-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642816 550022697 /nfs/dbraw/zinc/02/26/97/550022697.db2.gz UZHGNWOWFILPEC-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000296208828 553122870 /nfs/dbraw/zinc/12/28/70/553122870.db2.gz CXRVBMNVUUGLST-QGZVFWFLSA-N 2 1 362.543 2.214 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000296208828 553122873 /nfs/dbraw/zinc/12/28/73/553122873.db2.gz CXRVBMNVUUGLST-QGZVFWFLSA-N 2 1 362.543 2.214 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000296208828 553122877 /nfs/dbraw/zinc/12/28/77/553122877.db2.gz CXRVBMNVUUGLST-QGZVFWFLSA-N 2 1 362.543 2.214 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000297514480 553302567 /nfs/dbraw/zinc/30/25/67/553302567.db2.gz PLCXCXGOVASATM-FQEVSTJZSA-N 2 1 371.529 2.033 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[NH+]1CC ZINC000297514480 553302569 /nfs/dbraw/zinc/30/25/69/553302569.db2.gz PLCXCXGOVASATM-FQEVSTJZSA-N 2 1 371.529 2.033 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[NH+]1CC ZINC000297514480 553302571 /nfs/dbraw/zinc/30/25/71/553302571.db2.gz PLCXCXGOVASATM-FQEVSTJZSA-N 2 1 371.529 2.033 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311941168 553755713 /nfs/dbraw/zinc/75/57/13/553755713.db2.gz HXESVNMWCPVQAC-UXHICEINSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311941168 553755716 /nfs/dbraw/zinc/75/57/16/553755716.db2.gz HXESVNMWCPVQAC-UXHICEINSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311941168 553755718 /nfs/dbraw/zinc/75/57/18/553755718.db2.gz HXESVNMWCPVQAC-UXHICEINSA-N 2 1 354.498 2.202 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312626587 553756623 /nfs/dbraw/zinc/75/66/23/553756623.db2.gz IDVSWESSAIDIGI-LEWJYISDSA-N 2 1 365.477 2.410 20 30 FEEDMP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328739346 553815175 /nfs/dbraw/zinc/81/51/75/553815175.db2.gz HVWLOBUDIDVNDD-QLFBSQMISA-N 2 1 366.506 2.229 20 30 FEEDMP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000328739346 553815179 /nfs/dbraw/zinc/81/51/79/553815179.db2.gz HVWLOBUDIDVNDD-QLFBSQMISA-N 2 1 366.506 2.229 20 30 FEEDMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)c1ccccc1 ZINC000329206761 553902265 /nfs/dbraw/zinc/90/22/65/553902265.db2.gz YGWOBMQZIJKTRL-MOPGFXCFSA-N 2 1 372.513 2.331 20 30 FEEDMP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000329284062 553917965 /nfs/dbraw/zinc/91/79/65/553917965.db2.gz FXWQDLPNOKGULD-GOSISDBHSA-N 2 1 371.529 2.171 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886881 556165524 /nfs/dbraw/zinc/16/55/24/556165524.db2.gz RIQUIVNFFRTFDU-FQEVSTJZSA-N 2 1 357.502 2.284 20 30 FEEDMP C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367929877 556174988 /nfs/dbraw/zinc/17/49/88/556174988.db2.gz JGFZIHIZGQZEAN-QGZVFWFLSA-N 2 1 360.502 2.188 20 30 FEEDMP C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367929877 556174989 /nfs/dbraw/zinc/17/49/89/556174989.db2.gz JGFZIHIZGQZEAN-QGZVFWFLSA-N 2 1 360.502 2.188 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368243851 556257454 /nfs/dbraw/zinc/25/74/54/556257454.db2.gz QTLXUAXIPXZROV-URVUXULASA-N 2 1 368.525 2.495 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CC1 ZINC000369909811 556727734 /nfs/dbraw/zinc/72/77/34/556727734.db2.gz RIUZNKMNGYCFEQ-UHFFFAOYSA-N 2 1 369.509 2.099 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C(F)(F)F ZINC000304751728 673020295 /nfs/dbraw/zinc/02/02/95/673020295.db2.gz JQCLKBPWRXAXEG-ZDUSSCGKSA-N 2 1 358.408 2.473 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001027893042 680363670 /nfs/dbraw/zinc/36/36/70/680363670.db2.gz KWKOETAWXQULEM-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001027893042 680363673 /nfs/dbraw/zinc/36/36/73/680363673.db2.gz KWKOETAWXQULEM-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027893042 680363677 /nfs/dbraw/zinc/36/36/77/680363677.db2.gz KWKOETAWXQULEM-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001027893042 680363681 /nfs/dbraw/zinc/36/36/81/680363681.db2.gz KWKOETAWXQULEM-JCGIZDLHSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000767378059 680909573 /nfs/dbraw/zinc/90/95/73/680909573.db2.gz MDZARAXVLOXNOT-INIZCTEOSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@H+](Cc2ccccc2)C1 ZINC000767378059 680909575 /nfs/dbraw/zinc/90/95/75/680909575.db2.gz MDZARAXVLOXNOT-INIZCTEOSA-N 2 1 361.559 2.300 20 30 FEEDMP C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1Cl ZINC000884179168 687809280 /nfs/dbraw/zinc/80/92/80/687809280.db2.gz HCLJFTZKYMRQNU-BOLVRDICSA-N 2 1 360.889 2.198 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133060556 544254257 /nfs/dbraw/zinc/25/42/57/544254257.db2.gz NSAWHXVIDBSDCO-FQEVSTJZSA-N 2 1 357.498 2.044 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133060556 544254258 /nfs/dbraw/zinc/25/42/58/544254258.db2.gz NSAWHXVIDBSDCO-FQEVSTJZSA-N 2 1 357.498 2.044 20 30 FEEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CN1CC[NH+](C)CC1 ZINC000160679837 546062781 /nfs/dbraw/zinc/06/27/81/546062781.db2.gz CFZNFUJFZFFXHU-CYBMUJFWSA-N 2 1 373.423 2.195 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385923 548903197 /nfs/dbraw/zinc/90/31/97/548903197.db2.gz IKWAVUVSUXXHMP-CEXWTWQISA-N 2 1 363.546 2.397 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246522784 549151833 /nfs/dbraw/zinc/15/18/33/549151833.db2.gz IWOAARHBKFMFDJ-FBBABVLZSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246522784 549151835 /nfs/dbraw/zinc/15/18/35/549151835.db2.gz IWOAARHBKFMFDJ-FBBABVLZSA-N 2 1 355.482 2.247 20 30 FEEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246522784 549151837 /nfs/dbraw/zinc/15/18/37/549151837.db2.gz IWOAARHBKFMFDJ-FBBABVLZSA-N 2 1 355.482 2.247 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000264090294 549977946 /nfs/dbraw/zinc/97/79/46/549977946.db2.gz KUTASPMBUCQFJY-UHFFFAOYSA-N 2 1 354.454 2.454 20 30 FEEDMP CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264121765 549981362 /nfs/dbraw/zinc/98/13/62/549981362.db2.gz VGUBMXZQEPVJDZ-MAUKXSAKSA-N 2 1 359.518 2.104 20 30 FEEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)C1 ZINC000267393862 550030516 /nfs/dbraw/zinc/03/05/16/550030516.db2.gz DNNHIMCCWPWMTM-SFHVURJKSA-N 2 1 371.529 2.121 20 30 FEEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271555432 550384686 /nfs/dbraw/zinc/38/46/86/550384686.db2.gz WPLSTQACGGQNEF-CQSZACIVSA-N 2 1 359.923 2.320 20 30 FEEDMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000501024728 561587897 /nfs/dbraw/zinc/58/78/97/561587897.db2.gz XDNXOJKZVGDUAQ-FQEVSTJZSA-N 2 1 363.465 2.328 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000296863011 553222111 /nfs/dbraw/zinc/22/21/11/553222111.db2.gz KQEAJIJUWKWDGJ-KRWDZBQOSA-N 2 1 373.888 2.417 20 30 FEEDMP CC[NH+]1CCCN(c2nc(N3CCC[N@H+](CC)CC3)ccc2C#N)CC1 ZINC000302876918 553739278 /nfs/dbraw/zinc/73/92/78/553739278.db2.gz GGMYQQYQXUCJHR-UHFFFAOYSA-N 2 1 356.518 2.017 20 30 FEEDMP CC[NH+]1CCCN(c2ccc(C#N)c(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000302876918 553739279 /nfs/dbraw/zinc/73/92/79/553739279.db2.gz GGMYQQYQXUCJHR-UHFFFAOYSA-N 2 1 356.518 2.017 20 30 FEEDMP CC[NH+]1CCCN(c2ccc(C#N)c(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000302876918 553739280 /nfs/dbraw/zinc/73/92/80/553739280.db2.gz GGMYQQYQXUCJHR-UHFFFAOYSA-N 2 1 356.518 2.017 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311941166 553755770 /nfs/dbraw/zinc/75/57/70/553755770.db2.gz HXESVNMWCPVQAC-PMACEKPBSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311941166 553755774 /nfs/dbraw/zinc/75/57/74/553755774.db2.gz HXESVNMWCPVQAC-PMACEKPBSA-N 2 1 354.498 2.202 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311941166 553755776 /nfs/dbraw/zinc/75/57/76/553755776.db2.gz HXESVNMWCPVQAC-PMACEKPBSA-N 2 1 354.498 2.202 20 30 FEEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)[C@H]2C1 ZINC000329279621 553916228 /nfs/dbraw/zinc/91/62/28/553916228.db2.gz LTKDYSAFKHUAEH-MOPGFXCFSA-N 2 1 353.470 2.371 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000368417476 556303148 /nfs/dbraw/zinc/30/31/48/556303148.db2.gz SHMGIPAJOXIXEV-LSTHTHJFSA-N 2 1 370.497 2.366 20 30 FEEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129666 562076710 /nfs/dbraw/zinc/07/67/10/562076710.db2.gz INIIHLWNCALRQZ-RTWAWAEBSA-N 2 1 358.530 2.085 20 30 FEEDMP CC1(C)CC[N@@H+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000519422007 562131553 /nfs/dbraw/zinc/13/15/53/562131553.db2.gz IOCHNVZYGZZKRM-UHFFFAOYSA-N 2 1 354.498 2.393 20 30 FEEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1OC ZINC000415119256 559206182 /nfs/dbraw/zinc/20/61/82/559206182.db2.gz FEQKVCFOYRFXQS-QGZVFWFLSA-N 2 1 357.458 2.147 20 30 FEEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469768750 560964054 /nfs/dbraw/zinc/96/40/54/560964054.db2.gz LSPJKVMRXGNOPZ-KRWDZBQOSA-N 2 1 364.534 2.008 20 30 FEEDMP C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1ccnc1 ZINC000528426410 562328854 /nfs/dbraw/zinc/32/88/54/562328854.db2.gz SZDYIQITPPDXQT-LPHOPBHVSA-N 2 1 362.433 2.066 20 30 FEEDMP C[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1ccnc1 ZINC000528426410 562328855 /nfs/dbraw/zinc/32/88/55/562328855.db2.gz SZDYIQITPPDXQT-LPHOPBHVSA-N 2 1 362.433 2.066 20 30 FEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000580543535 671816909 /nfs/dbraw/zinc/81/69/09/671816909.db2.gz HFHOYDHWEOWCSR-KRWDZBQOSA-N 2 1 363.527 2.434 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000262448902 672915872 /nfs/dbraw/zinc/91/58/72/672915872.db2.gz ULJBVTCGDYEIFC-BQFCYCMXSA-N 3 1 363.575 2.248 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262448902 672915874 /nfs/dbraw/zinc/91/58/74/672915874.db2.gz ULJBVTCGDYEIFC-BQFCYCMXSA-N 3 1 363.575 2.248 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262448902 672915877 /nfs/dbraw/zinc/91/58/77/672915877.db2.gz ULJBVTCGDYEIFC-BQFCYCMXSA-N 3 1 363.575 2.248 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ncc(Cl)cc1Cl ZINC000303872049 673018070 /nfs/dbraw/zinc/01/80/70/673018070.db2.gz BSRUGJCCBPYWDX-GFCCVEGCSA-N 2 1 359.305 2.189 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001023379680 680258139 /nfs/dbraw/zinc/25/81/39/680258139.db2.gz MKIIGHMMAFBGTB-RVKKMQEKSA-N 2 1 360.527 2.288 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001023379680 680258141 /nfs/dbraw/zinc/25/81/41/680258141.db2.gz MKIIGHMMAFBGTB-RVKKMQEKSA-N 2 1 360.527 2.288 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001023379680 680258143 /nfs/dbraw/zinc/25/81/43/680258143.db2.gz MKIIGHMMAFBGTB-RVKKMQEKSA-N 2 1 360.527 2.288 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001034647861 680436578 /nfs/dbraw/zinc/43/65/78/680436578.db2.gz QSWJEXBLYPBIDW-ATNYBXOESA-N 2 1 360.527 2.477 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000836489386 680476067 /nfs/dbraw/zinc/47/60/67/680476067.db2.gz YWLIBFXLSBIUMH-SJLPKXTDSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000836489386 680476069 /nfs/dbraw/zinc/47/60/69/680476069.db2.gz YWLIBFXLSBIUMH-SJLPKXTDSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000836489386 680476072 /nfs/dbraw/zinc/47/60/72/680476072.db2.gz YWLIBFXLSBIUMH-SJLPKXTDSA-N 2 1 362.543 2.385 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC001002858756 680511825 /nfs/dbraw/zinc/51/18/25/680511825.db2.gz GCPRAJAPCIQALF-ZWKOTPCHSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001002858756 680511830 /nfs/dbraw/zinc/51/18/30/680511830.db2.gz GCPRAJAPCIQALF-ZWKOTPCHSA-N 2 1 360.527 2.431 20 30 FEEDMP Cc1nc(CCNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)cs1 ZINC000912498834 685386717 /nfs/dbraw/zinc/38/67/17/685386717.db2.gz JPSDDVFYGCTYSW-UHFFFAOYSA-N 2 1 367.563 2.050 20 30 FEEDMP C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000845601523 681140644 /nfs/dbraw/zinc/14/06/44/681140644.db2.gz QLSVQZJCLZZKTL-QZTJIDSGSA-N 2 1 352.523 2.473 20 30 FEEDMP N#Cc1c2c(cnc1N1CC[C@H]3[C@H]1CC[N@H+]3Cc1cccnc1)C[NH2+]CCC2 ZINC001164723633 720329948 /nfs/dbraw/zinc/32/99/48/720329948.db2.gz IHKGSIHGOPRAMG-LEWJYISDSA-N 2 1 374.492 2.237 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079550069 542526157 /nfs/dbraw/zinc/52/61/57/542526157.db2.gz MJBMIVXYLRFZIW-VQTJNVASSA-N 2 1 369.513 2.258 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1 ZINC000081525254 542662761 /nfs/dbraw/zinc/66/27/61/542662761.db2.gz FUNQDVWHIMEZIQ-IBGZPJMESA-N 2 1 368.529 2.405 20 30 FEEDMP Cc1cc(N2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)nc(C)[nH+]1 ZINC000178615456 327595869 /nfs/dbraw/zinc/59/58/69/327595869.db2.gz XLNQTSLQPLBBSS-UHFFFAOYSA-N 2 1 361.453 2.371 20 30 FEEDMP CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245457114 548925852 /nfs/dbraw/zinc/92/58/52/548925852.db2.gz UDJDLDANYMAGSH-UYAOXDASSA-N 2 1 356.514 2.448 20 30 FEEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262297944 549807860 /nfs/dbraw/zinc/80/78/60/549807860.db2.gz PJBPCPXPPHBZOZ-UHFFFAOYSA-N 2 1 360.412 2.038 20 30 FEEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1cc(F)ccc1F ZINC000262335055 549811934 /nfs/dbraw/zinc/81/19/34/549811934.db2.gz ZDJWAKCCEMJIEP-MRXNPFEDSA-N 2 1 360.408 2.458 20 30 FEEDMP C[NH+]=C(NCc1ccco1)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264040318 549971288 /nfs/dbraw/zinc/97/12/88/549971288.db2.gz IIMIPRPEBUMDIR-MRXNPFEDSA-N 2 1 356.470 2.366 20 30 FEEDMP C[NH+]=C(NCc1ccco1)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264040318 549971289 /nfs/dbraw/zinc/97/12/89/549971289.db2.gz IIMIPRPEBUMDIR-MRXNPFEDSA-N 2 1 356.470 2.366 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642813 550022629 /nfs/dbraw/zinc/02/26/29/550022629.db2.gz UZHGNWOWFILPEC-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(OC)c1 ZINC000266642813 550022632 /nfs/dbraw/zinc/02/26/32/550022632.db2.gz UZHGNWOWFILPEC-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642813 550022634 /nfs/dbraw/zinc/02/26/34/550022634.db2.gz UZHGNWOWFILPEC-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642813 550022637 /nfs/dbraw/zinc/02/26/37/550022637.db2.gz UZHGNWOWFILPEC-OALUTQOASA-N 2 1 362.514 2.437 20 30 FEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536731 550383509 /nfs/dbraw/zinc/38/35/09/550383509.db2.gz XVEGPOCGDFYMBS-HTXRYDERSA-N 2 1 368.481 2.013 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536731 550383512 /nfs/dbraw/zinc/38/35/12/550383512.db2.gz XVEGPOCGDFYMBS-HTXRYDERSA-N 2 1 368.481 2.013 20 30 FEEDMP C=CCOc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000294879499 552940949 /nfs/dbraw/zinc/94/09/49/552940949.db2.gz DGMDTCWAHMCWLO-UHFFFAOYSA-N 2 1 359.514 2.278 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000305631271 553748292 /nfs/dbraw/zinc/74/82/92/553748292.db2.gz FPTQRJIJZYGLKU-HOCLYGCPSA-N 2 1 356.474 2.229 20 30 FEEDMP O=C(C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329020897 553865839 /nfs/dbraw/zinc/86/58/39/553865839.db2.gz HTMRXYDQHXXZSK-AWEZNQCLSA-N 2 1 359.474 2.320 20 30 FEEDMP O=C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329020897 553865841 /nfs/dbraw/zinc/86/58/41/553865841.db2.gz HTMRXYDQHXXZSK-AWEZNQCLSA-N 2 1 359.474 2.320 20 30 FEEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329815602 554010660 /nfs/dbraw/zinc/01/06/60/554010660.db2.gz VIIJLVDIGVBVHA-SJLPKXTDSA-N 2 1 364.534 2.008 20 30 FEEDMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000330331454 554106582 /nfs/dbraw/zinc/10/65/82/554106582.db2.gz OAYCKGHVTMVGEU-KPFFTGBYSA-N 2 1 371.529 2.405 20 30 FEEDMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330331454 554106583 /nfs/dbraw/zinc/10/65/83/554106583.db2.gz OAYCKGHVTMVGEU-KPFFTGBYSA-N 2 1 371.529 2.405 20 30 FEEDMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330331454 554106584 /nfs/dbraw/zinc/10/65/84/554106584.db2.gz OAYCKGHVTMVGEU-KPFFTGBYSA-N 2 1 371.529 2.405 20 30 FEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000363853019 555199594 /nfs/dbraw/zinc/19/95/94/555199594.db2.gz PFQZUFUXZFRROS-HXUWFJFHSA-N 2 1 356.514 2.427 20 30 FEEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCN(CCO)CC1 ZINC000513542572 561942296 /nfs/dbraw/zinc/94/22/96/561942296.db2.gz GBBUBYALXGSFQU-UHFFFAOYSA-N 2 1 367.497 2.352 20 30 FEEDMP CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000513542572 561942298 /nfs/dbraw/zinc/94/22/98/561942298.db2.gz GBBUBYALXGSFQU-UHFFFAOYSA-N 2 1 367.497 2.352 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000369756466 556686192 /nfs/dbraw/zinc/68/61/92/556686192.db2.gz GENSJALROCKHBA-UHFFFAOYSA-N 2 1 354.498 2.210 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cc(C#N)cs3)C2)CC1 ZINC000449508295 560232149 /nfs/dbraw/zinc/23/21/49/560232149.db2.gz UYFJMFSAUPIJOW-KRWDZBQOSA-N 2 1 360.527 2.386 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000467164146 560905351 /nfs/dbraw/zinc/90/53/51/560905351.db2.gz XEOIKCQZPIFDOH-UHFFFAOYSA-N 2 1 358.486 2.320 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769205 560964167 /nfs/dbraw/zinc/96/41/67/560964167.db2.gz NSPROWLZRREBCG-HLNWXESRSA-N 2 1 366.550 2.156 20 30 FEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000469769205 560964168 /nfs/dbraw/zinc/96/41/68/560964168.db2.gz NSPROWLZRREBCG-HLNWXESRSA-N 2 1 366.550 2.156 20 30 FEEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(O)CC1 ZINC000086834399 670684657 /nfs/dbraw/zinc/68/46/57/670684657.db2.gz NBIMHNOFTBUTJG-GOSISDBHSA-N 2 1 350.551 2.453 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC#Cc1cccc(C(F)(F)F)c1 ZINC000304761680 673020864 /nfs/dbraw/zinc/02/08/64/673020864.db2.gz USTRHVNNMZOCMM-INIZCTEOSA-N 2 1 352.404 2.446 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759560 680072091 /nfs/dbraw/zinc/07/20/91/680072091.db2.gz CZPZSRWGSGIYKN-ANQUJSFKSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759560 680072097 /nfs/dbraw/zinc/07/20/97/680072097.db2.gz CZPZSRWGSGIYKN-ANQUJSFKSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759560 680072105 /nfs/dbraw/zinc/07/21/05/680072105.db2.gz CZPZSRWGSGIYKN-ANQUJSFKSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759560 680072112 /nfs/dbraw/zinc/07/21/12/680072112.db2.gz CZPZSRWGSGIYKN-ANQUJSFKSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004472079 680556852 /nfs/dbraw/zinc/55/68/52/680556852.db2.gz ZGTOLYBICCSTIS-KBAYOESNSA-N 2 1 369.937 2.161 20 30 FEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004472079 680556861 /nfs/dbraw/zinc/55/68/61/680556861.db2.gz ZGTOLYBICCSTIS-KBAYOESNSA-N 2 1 369.937 2.161 20 30 FEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004472079 680556866 /nfs/dbraw/zinc/55/68/66/680556866.db2.gz ZGTOLYBICCSTIS-KBAYOESNSA-N 2 1 369.937 2.161 20 30 FEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004472079 680556869 /nfs/dbraw/zinc/55/68/69/680556869.db2.gz ZGTOLYBICCSTIS-KBAYOESNSA-N 2 1 369.937 2.161 20 30 FEEDMP C[C@@H](CNC(NCc1cccs1)=[NH+]C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000912506105 685388662 /nfs/dbraw/zinc/38/86/62/685388662.db2.gz JGVYWQYAANZWLW-INIZCTEOSA-N 2 1 365.591 2.465 20 30 FEEDMP C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000845601527 681140627 /nfs/dbraw/zinc/14/06/27/681140627.db2.gz QLSVQZJCLZZKTL-ROUUACIJSA-N 2 1 352.523 2.473 20 30 FEEDMP Cc1ncsc1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1 ZINC000923336381 684265174 /nfs/dbraw/zinc/26/51/74/684265174.db2.gz KKJSKWKKWMIRIR-SJLPKXTDSA-N 2 1 356.495 2.468 20 30 FEEDMP Cc1ncsc1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1 ZINC000923336381 684265175 /nfs/dbraw/zinc/26/51/75/684265175.db2.gz KKJSKWKKWMIRIR-SJLPKXTDSA-N 2 1 356.495 2.468 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876781419 686267328 /nfs/dbraw/zinc/26/73/28/686267328.db2.gz LAAWVJDSRCWVSK-RCCFBDPRSA-N 2 1 365.905 2.252 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876781419 686267333 /nfs/dbraw/zinc/26/73/33/686267333.db2.gz LAAWVJDSRCWVSK-RCCFBDPRSA-N 2 1 365.905 2.252 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000876926212 686295817 /nfs/dbraw/zinc/29/58/17/686295817.db2.gz MHBLRDOZHRAYFJ-OAHLLOKOSA-N 2 1 365.909 2.053 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075007501 542144976 /nfs/dbraw/zinc/14/49/76/542144976.db2.gz RKHSJNBHOVLMLI-YLJYHZDGSA-N 2 1 366.550 2.252 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821205 542889033 /nfs/dbraw/zinc/88/90/33/542889033.db2.gz PMOHTHIXHVBYRU-UHFFFAOYSA-N 2 1 357.502 2.382 20 30 FEEDMP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000151147599 544509520 /nfs/dbraw/zinc/50/95/20/544509520.db2.gz IYBSVDLQVBGKQD-PMACEKPBSA-N 2 1 357.498 2.443 20 30 FEEDMP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000151147599 544509523 /nfs/dbraw/zinc/50/95/23/544509523.db2.gz IYBSVDLQVBGKQD-PMACEKPBSA-N 2 1 357.498 2.443 20 30 FEEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000153916568 326746237 /nfs/dbraw/zinc/74/62/37/326746237.db2.gz RZXDXFGYYRDNGD-OALUTQOASA-N 2 1 356.514 2.427 20 30 FEEDMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000269665779 329538666 /nfs/dbraw/zinc/53/86/66/329538666.db2.gz PYEWWORCVUDRNR-UHFFFAOYSA-N 2 1 356.514 2.427 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305593 546203225 /nfs/dbraw/zinc/20/32/25/546203225.db2.gz IKWAVUVSUXXHMP-OTWHNJEPSA-N 2 1 363.546 2.397 20 30 FEEDMP C[NH+]=C(NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)NC1CC1 ZINC000264043285 549972113 /nfs/dbraw/zinc/97/21/13/549972113.db2.gz JNYSZAKSUSGHTO-UHFFFAOYSA-N 2 1 360.502 2.004 20 30 FEEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264087948 549977730 /nfs/dbraw/zinc/97/77/30/549977730.db2.gz KAHYSBYODXRUDA-UHFFFAOYSA-N 2 1 373.423 2.339 20 30 FEEDMP C[N@@H+]1CCCN(CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264087948 549977732 /nfs/dbraw/zinc/97/77/32/549977732.db2.gz KAHYSBYODXRUDA-UHFFFAOYSA-N 2 1 373.423 2.339 20 30 FEEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264087948 549977733 /nfs/dbraw/zinc/97/77/33/549977733.db2.gz KAHYSBYODXRUDA-UHFFFAOYSA-N 2 1 373.423 2.339 20 30 FEEDMP C[NH+]1CCC(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000273268763 550492128 /nfs/dbraw/zinc/49/21/28/550492128.db2.gz OFXPMUNDTVDKSH-UHFFFAOYSA-N 2 1 354.498 2.324 20 30 FEEDMP C[N@H+]1CCN(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1(C)C ZINC000282429433 551227533 /nfs/dbraw/zinc/22/75/33/551227533.db2.gz TWHCHIVTDBIIID-UHFFFAOYSA-N 2 1 369.557 2.138 20 30 FEEDMP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286148571 551854547 /nfs/dbraw/zinc/85/45/47/551854547.db2.gz PIRUIXAUGPIBBX-UHFFFAOYSA-N 2 1 369.557 2.390 20 30 FEEDMP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000328728297 553813041 /nfs/dbraw/zinc/81/30/41/553813041.db2.gz VNBOTXXGHLXMAQ-KRWDZBQOSA-N 2 1 374.533 2.298 20 30 FEEDMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000328728297 553813043 /nfs/dbraw/zinc/81/30/43/553813043.db2.gz VNBOTXXGHLXMAQ-KRWDZBQOSA-N 2 1 374.533 2.298 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1c(F)cccc1C#N ZINC000509076816 561784086 /nfs/dbraw/zinc/78/40/86/561784086.db2.gz HESKMEGBWBIWTF-QGZVFWFLSA-N 2 1 360.477 2.114 20 30 FEEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1 ZINC000362618193 554976037 /nfs/dbraw/zinc/97/60/37/554976037.db2.gz WYQOMWDITWQBCJ-ICSRJNTNSA-N 2 1 369.509 2.494 20 30 FEEDMP N#CCCn1cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719978 554983427 /nfs/dbraw/zinc/98/34/27/554983427.db2.gz QSEXEWYMBLTIPS-PMACEKPBSA-N 2 1 365.481 2.417 20 30 FEEDMP N#CCCn1cc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719978 554983430 /nfs/dbraw/zinc/98/34/30/554983430.db2.gz QSEXEWYMBLTIPS-PMACEKPBSA-N 2 1 365.481 2.417 20 30 FEEDMP C[C@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516207621 562036006 /nfs/dbraw/zinc/03/60/06/562036006.db2.gz HCGSDSUCOKUXKW-HNNXBMFYSA-N 2 1 365.437 2.111 20 30 FEEDMP C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147556 556793308 /nfs/dbraw/zinc/79/33/08/556793308.db2.gz DNTHEZAFAVRWQC-RXVVDRJESA-N 2 1 356.514 2.285 20 30 FEEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129667 562076812 /nfs/dbraw/zinc/07/68/12/562076812.db2.gz INIIHLWNCALRQZ-SFTDATJTSA-N 2 1 358.530 2.085 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259023 557122974 /nfs/dbraw/zinc/12/29/74/557122974.db2.gz FGZZZMBAIADVAZ-LJQANCHMSA-N 2 1 372.513 2.046 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783800 558221136 /nfs/dbraw/zinc/22/11/36/558221136.db2.gz ZKJHYPJKTRAGNU-VQTJNVASSA-N 2 1 370.497 2.096 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783800 558221138 /nfs/dbraw/zinc/22/11/38/558221138.db2.gz ZKJHYPJKTRAGNU-VQTJNVASSA-N 2 1 370.497 2.096 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282561 561023080 /nfs/dbraw/zinc/02/30/80/561023080.db2.gz FTSARYSNAMXOCB-SJLPKXTDSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282561 561023081 /nfs/dbraw/zinc/02/30/81/561023081.db2.gz FTSARYSNAMXOCB-SJLPKXTDSA-N 2 1 358.486 2.318 20 30 FEEDMP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604323587 568249431 /nfs/dbraw/zinc/24/94/31/568249431.db2.gz LPNIBMBSFJERGL-UHFFFAOYSA-N 2 1 359.518 2.230 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000304811700 673021264 /nfs/dbraw/zinc/02/12/64/673021264.db2.gz XLVKFWGSQBRNNW-MRXNPFEDSA-N 2 1 352.404 2.446 20 30 FEEDMP N#Cc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sc1Cl ZINC000596097004 673358369 /nfs/dbraw/zinc/35/83/69/673358369.db2.gz BTEASMKJWAQBIM-UHFFFAOYSA-N 2 1 362.890 2.687 20 30 FEEDMP C[C@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C ZINC000761802066 680731851 /nfs/dbraw/zinc/73/18/51/680731851.db2.gz SUFOFGZAINIBMF-HNNXBMFYSA-N 2 1 359.543 2.195 20 30 FEEDMP C[C@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C ZINC000761802066 680731852 /nfs/dbraw/zinc/73/18/52/680731852.db2.gz SUFOFGZAINIBMF-HNNXBMFYSA-N 2 1 359.543 2.195 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995826246 680304656 /nfs/dbraw/zinc/30/46/56/680304656.db2.gz PIATWPWBXHVOCU-KBRIMQKVSA-N 2 1 360.527 2.287 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC001000698856 680437554 /nfs/dbraw/zinc/43/75/54/680437554.db2.gz COULYGLGQZMKFZ-RDTXWAMCSA-N 2 1 358.511 2.208 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NCC2=CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001000698856 680437556 /nfs/dbraw/zinc/43/75/56/680437556.db2.gz COULYGLGQZMKFZ-RDTXWAMCSA-N 2 1 358.511 2.208 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC001000698856 680437559 /nfs/dbraw/zinc/43/75/59/680437559.db2.gz COULYGLGQZMKFZ-RDTXWAMCSA-N 2 1 358.511 2.208 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC001000698856 680437561 /nfs/dbraw/zinc/43/75/61/680437561.db2.gz COULYGLGQZMKFZ-RDTXWAMCSA-N 2 1 358.511 2.208 20 30 FEEDMP C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000776186871 681370822 /nfs/dbraw/zinc/37/08/22/681370822.db2.gz WWTLPUUAHKFWFY-INIZCTEOSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000776186871 681370828 /nfs/dbraw/zinc/37/08/28/681370828.db2.gz WWTLPUUAHKFWFY-INIZCTEOSA-N 2 1 361.559 2.300 20 30 FEEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000903446153 690894416 /nfs/dbraw/zinc/89/44/16/690894416.db2.gz UJEWXPNUOULTNU-KDOFPFPSSA-N 2 1 360.889 2.292 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000068430570 541590922 /nfs/dbraw/zinc/59/09/22/541590922.db2.gz IOTCCMNIVWRGAZ-UHFFFAOYSA-N 2 1 362.543 2.430 20 30 FEEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000073961828 542019848 /nfs/dbraw/zinc/01/98/48/542019848.db2.gz IWDVMZURDHNHLG-INIZCTEOSA-N 2 1 368.510 2.335 20 30 FEEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000073961828 542019852 /nfs/dbraw/zinc/01/98/52/542019852.db2.gz IWDVMZURDHNHLG-INIZCTEOSA-N 2 1 368.510 2.335 20 30 FEEDMP COCC[NH+]1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000090970989 542788969 /nfs/dbraw/zinc/78/89/69/542788969.db2.gz ZMGCLJPMICAHFB-UHFFFAOYSA-N 2 1 358.486 2.344 20 30 FEEDMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000192727434 328335713 /nfs/dbraw/zinc/33/57/13/328335713.db2.gz CHRFIJNEVPTNBV-UHFFFAOYSA-N 2 1 358.530 2.423 20 30 FEEDMP N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)o1 ZINC000174408659 327325464 /nfs/dbraw/zinc/32/54/64/327325464.db2.gz DATSCJJCYQDJGB-UHFFFAOYSA-N 2 1 352.438 2.267 20 30 FEEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Br)cn1C ZINC000159476532 545957505 /nfs/dbraw/zinc/95/75/05/545957505.db2.gz PPBCEFMDYBAODF-CYBMUJFWSA-N 2 1 370.339 2.137 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000172150866 546237901 /nfs/dbraw/zinc/23/79/01/546237901.db2.gz VCKNWDFDYSHDAV-MJGOQNOKSA-N 2 1 366.550 2.073 20 30 FEEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261955260 549773628 /nfs/dbraw/zinc/77/36/28/549773628.db2.gz IOXVSBHKDVLEMJ-KOLCDFICSA-N 2 1 361.437 2.310 20 30 FEEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262010024 549779493 /nfs/dbraw/zinc/77/94/93/549779493.db2.gz WJQYZYLBFQEYPU-KSSFIOAISA-N 2 1 353.470 2.489 20 30 FEEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262467615 549822302 /nfs/dbraw/zinc/82/23/02/549822302.db2.gz TXVKRZZZLZUAAM-JOCBIADPSA-N 2 1 360.502 2.395 20 30 FEEDMP CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000263681490 549918228 /nfs/dbraw/zinc/91/82/28/549918228.db2.gz KTXUVAVXHZRNFB-UHFFFAOYSA-N 2 1 357.502 2.116 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCC2)c1 ZINC000264112131 549980818 /nfs/dbraw/zinc/98/08/18/549980818.db2.gz PEBGBXNVOGOGIK-GOSISDBHSA-N 2 1 357.502 2.314 20 30 FEEDMP CC(C)(C)OCc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264239965 549993312 /nfs/dbraw/zinc/99/33/12/549993312.db2.gz DUHFEEILFIMFMD-UHFFFAOYSA-N 2 1 362.518 2.128 20 30 FEEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000267450409 550031879 /nfs/dbraw/zinc/03/18/79/550031879.db2.gz RFLFXFCESJIBLR-GFCCVEGCSA-N 2 1 360.380 2.280 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000274838552 550558450 /nfs/dbraw/zinc/55/84/50/550558450.db2.gz NWUDVWGYZKWGMH-BSIFCXSSSA-N 2 1 354.498 2.295 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000274838552 550558451 /nfs/dbraw/zinc/55/84/51/550558451.db2.gz NWUDVWGYZKWGMH-BSIFCXSSSA-N 2 1 354.498 2.295 20 30 FEEDMP N#Cc1ccc(C2=CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000502493210 561619641 /nfs/dbraw/zinc/61/96/41/561619641.db2.gz COLLLEPNTOQNEM-UHFFFAOYSA-N 2 1 364.493 2.390 20 30 FEEDMP N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000502493210 561619642 /nfs/dbraw/zinc/61/96/42/561619642.db2.gz COLLLEPNTOQNEM-UHFFFAOYSA-N 2 1 364.493 2.390 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000296557158 553179044 /nfs/dbraw/zinc/17/90/44/553179044.db2.gz GFDXENQWOMKQKR-SEJPIABJSA-N 2 1 368.525 2.436 20 30 FEEDMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329218398 553904981 /nfs/dbraw/zinc/90/49/81/553904981.db2.gz RRZDBGRYLUJIQM-OOKSDGMUSA-N 2 1 364.534 2.291 20 30 FEEDMP C[C@H]1CCCC[NH+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329218398 553904982 /nfs/dbraw/zinc/90/49/82/553904982.db2.gz RRZDBGRYLUJIQM-OOKSDGMUSA-N 2 1 364.534 2.291 20 30 FEEDMP C[C@H]1CCCC[NH+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329218398 553904985 /nfs/dbraw/zinc/90/49/85/553904985.db2.gz RRZDBGRYLUJIQM-OOKSDGMUSA-N 2 1 364.534 2.291 20 30 FEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)C2 ZINC000329547535 553965599 /nfs/dbraw/zinc/96/55/99/553965599.db2.gz DSQJKFIWMKRLBO-IPELMVKDSA-N 2 1 360.502 2.478 20 30 FEEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329958400 554039286 /nfs/dbraw/zinc/03/92/86/554039286.db2.gz QPFRIQKLENJAPX-OTWHNJEPSA-N 2 1 365.481 2.176 20 30 FEEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329958400 554039289 /nfs/dbraw/zinc/03/92/89/554039289.db2.gz QPFRIQKLENJAPX-OTWHNJEPSA-N 2 1 365.481 2.176 20 30 FEEDMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000516856939 562060810 /nfs/dbraw/zinc/06/08/10/562060810.db2.gz IMBUGGINHLXDAP-YLJYHZDGSA-N 2 1 369.513 2.164 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299069 557136306 /nfs/dbraw/zinc/13/63/06/557136306.db2.gz CKGFFJXJLUFBBT-BZUAXINKSA-N 2 1 362.499 2.132 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299069 557136305 /nfs/dbraw/zinc/13/63/05/557136305.db2.gz CKGFFJXJLUFBBT-BZUAXINKSA-N 2 1 362.499 2.132 20 30 FEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000375890716 558094716 /nfs/dbraw/zinc/09/47/16/558094716.db2.gz NUBNHRTYGZKFHB-HXUWFJFHSA-N 2 1 356.514 2.427 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783798 558221277 /nfs/dbraw/zinc/22/12/77/558221277.db2.gz ZKJHYPJKTRAGNU-PMACEKPBSA-N 2 1 370.497 2.096 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000376783798 558221278 /nfs/dbraw/zinc/22/12/78/558221278.db2.gz ZKJHYPJKTRAGNU-PMACEKPBSA-N 2 1 370.497 2.096 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000377819792 558426525 /nfs/dbraw/zinc/42/65/25/558426525.db2.gz ZLODWUBNBHMARW-HBMCJLEFSA-N 2 1 351.494 2.093 20 30 FEEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cn2)CC1 ZINC000418145817 559391794 /nfs/dbraw/zinc/39/17/94/559391794.db2.gz OFNDNRYXUDWLNK-FQEVSTJZSA-N 2 1 362.481 2.267 20 30 FEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984629 559517358 /nfs/dbraw/zinc/51/73/58/559517358.db2.gz UAFVGDOUVHAFQJ-LJQANCHMSA-N 2 1 362.562 2.068 20 30 FEEDMP C[C@H](CC#N)NCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000602863515 568007624 /nfs/dbraw/zinc/00/76/24/568007624.db2.gz NLZKZHVABWDOQB-QGZVFWFLSA-N 2 1 350.466 2.376 20 30 FEEDMP C[NH+](C)[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCSC1 ZINC000262421790 672915564 /nfs/dbraw/zinc/91/55/64/672915564.db2.gz BGFZRBZTSFQVGM-KRWDZBQOSA-N 2 1 350.488 2.012 20 30 FEEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000540196983 673527175 /nfs/dbraw/zinc/52/71/75/673527175.db2.gz GRQAYKJTTZIKGI-UHFFFAOYSA-N 2 1 352.523 2.078 20 30 FEEDMP C=CC[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600718936 673794399 /nfs/dbraw/zinc/79/43/99/673794399.db2.gz AULSDUUPTPFOJG-UHFFFAOYSA-N 2 1 352.519 2.489 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296512 680503499 /nfs/dbraw/zinc/50/34/99/680503499.db2.gz IBBYLAMYUUQNGO-BFYDXBDKSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041296512 680503500 /nfs/dbraw/zinc/50/35/00/680503500.db2.gz IBBYLAMYUUQNGO-BFYDXBDKSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296512 680503501 /nfs/dbraw/zinc/50/35/01/680503501.db2.gz IBBYLAMYUUQNGO-BFYDXBDKSA-N 2 1 370.335 2.160 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296512 680503502 /nfs/dbraw/zinc/50/35/02/680503502.db2.gz IBBYLAMYUUQNGO-BFYDXBDKSA-N 2 1 370.335 2.160 20 30 FEEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@]1(C)CCCCO1 ZINC000902792794 690808058 /nfs/dbraw/zinc/80/80/58/690808058.db2.gz DIWCARWLFJGNGB-WSTZPKSXSA-N 2 1 351.535 2.457 20 30 FEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081613814 542668318 /nfs/dbraw/zinc/66/83/18/542668318.db2.gz QURVZBMYMAIAER-UXHICEINSA-N 2 1 354.498 2.323 20 30 FEEDMP [NH2+]=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000090064906 542781416 /nfs/dbraw/zinc/78/14/16/542781416.db2.gz DLEDRHBOJNQJKS-OLZOCXBDSA-N 2 1 372.391 2.374 20 30 FEEDMP [NH2+]=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000090064906 542781419 /nfs/dbraw/zinc/78/14/19/542781419.db2.gz DLEDRHBOJNQJKS-OLZOCXBDSA-N 2 1 372.391 2.374 20 30 FEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000123993587 543795402 /nfs/dbraw/zinc/79/54/02/543795402.db2.gz DRQUQCVOHQTGQF-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000123993587 543795411 /nfs/dbraw/zinc/79/54/11/543795411.db2.gz DRQUQCVOHQTGQF-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000123993587 543795414 /nfs/dbraw/zinc/79/54/14/543795414.db2.gz DRQUQCVOHQTGQF-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000123993587 543795417 /nfs/dbraw/zinc/79/54/17/543795417.db2.gz DRQUQCVOHQTGQF-HXUWFJFHSA-N 2 1 354.498 2.467 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131785590 544206810 /nfs/dbraw/zinc/20/68/10/544206810.db2.gz PCAVEAPZMFUTDJ-ICSRJNTNSA-N 2 1 353.510 2.358 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000153046914 544726890 /nfs/dbraw/zinc/72/68/90/544726890.db2.gz NAUBFGDNDJAAHK-OAHLLOKOSA-N 2 1 351.516 2.286 20 30 FEEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000153984521 544848611 /nfs/dbraw/zinc/84/86/11/544848611.db2.gz MWOBQWSSMGTIJY-OALUTQOASA-N 2 1 356.514 2.427 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160693661 546064167 /nfs/dbraw/zinc/06/41/67/546064167.db2.gz FGNZKPNJDXWGPI-FQEVSTJZSA-N 2 1 369.513 2.116 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000171715384 546220267 /nfs/dbraw/zinc/22/02/67/546220267.db2.gz BWMGZDLTOHFQKL-QGZVFWFLSA-N 2 1 356.514 2.383 20 30 FEEDMP Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(-c2ccc(C#N)cc2)n1 ZINC000180191144 547065534 /nfs/dbraw/zinc/06/55/34/547065534.db2.gz HGJGIAJLSDRPHP-HXUWFJFHSA-N 2 1 367.497 2.285 20 30 FEEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C#N ZINC000180997412 547227398 /nfs/dbraw/zinc/22/73/98/547227398.db2.gz FDLATKATPKXRKH-HXUWFJFHSA-N 2 1 351.450 2.423 20 30 FEEDMP N#Cc1ccc(CN2CCC([NH2+]CCCC[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000181733102 547369310 /nfs/dbraw/zinc/36/93/10/547369310.db2.gz FRNXIIATBKPJEW-QFIPXVFZSA-N 2 1 370.541 2.349 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000249746453 549623439 /nfs/dbraw/zinc/62/34/39/549623439.db2.gz NPPCTRIKIZLQTI-PKOBYXMFSA-N 2 1 372.513 2.200 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCOCC1 ZINC000264098703 549979004 /nfs/dbraw/zinc/97/90/04/549979004.db2.gz NJIAKZQJHPLHGM-GOSISDBHSA-N 2 1 362.493 2.263 20 30 FEEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000492913948 561453484 /nfs/dbraw/zinc/45/34/84/561453484.db2.gz VPQPSUZDEDGDDM-UHFFFAOYSA-N 2 1 352.429 2.229 20 30 FEEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270538551 550281730 /nfs/dbraw/zinc/28/17/30/550281730.db2.gz BGSBAYVQPSYHGW-XJKSGUPXSA-N 2 1 354.857 2.119 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536741 550383528 /nfs/dbraw/zinc/38/35/28/550383528.db2.gz XVEGPOCGDFYMBS-XANXLALBSA-N 2 1 368.481 2.013 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536741 550383531 /nfs/dbraw/zinc/38/35/31/550383531.db2.gz XVEGPOCGDFYMBS-XANXLALBSA-N 2 1 368.481 2.013 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000296208820 553122658 /nfs/dbraw/zinc/12/26/58/553122658.db2.gz CXRVBMNVUUGLST-KRWDZBQOSA-N 2 1 362.543 2.214 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000296208820 553122662 /nfs/dbraw/zinc/12/26/62/553122662.db2.gz CXRVBMNVUUGLST-KRWDZBQOSA-N 2 1 362.543 2.214 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000296208820 553122665 /nfs/dbraw/zinc/12/26/65/553122665.db2.gz CXRVBMNVUUGLST-KRWDZBQOSA-N 2 1 362.543 2.214 20 30 FEEDMP COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000328664762 553804140 /nfs/dbraw/zinc/80/41/40/553804140.db2.gz YUIPNNZKEHDPHM-QUCCMNQESA-N 2 1 373.497 2.386 20 30 FEEDMP COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000328664762 553804141 /nfs/dbraw/zinc/80/41/41/553804141.db2.gz YUIPNNZKEHDPHM-QUCCMNQESA-N 2 1 373.497 2.386 20 30 FEEDMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000332936428 554545563 /nfs/dbraw/zinc/54/55/63/554545563.db2.gz XALCJMVJEUSQLF-FXAWDEMLSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000332936428 554545565 /nfs/dbraw/zinc/54/55/65/554545565.db2.gz XALCJMVJEUSQLF-FXAWDEMLSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000332936428 554545568 /nfs/dbraw/zinc/54/55/68/554545568.db2.gz XALCJMVJEUSQLF-FXAWDEMLSA-N 2 1 369.513 2.258 20 30 FEEDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000363533554 555130328 /nfs/dbraw/zinc/13/03/28/555130328.db2.gz HUDAZSSAPDVRSY-UHFFFAOYSA-N 2 1 352.486 2.032 20 30 FEEDMP C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090854 557071985 /nfs/dbraw/zinc/07/19/85/557071985.db2.gz YRKSTNIIWZLDQM-ICSRJNTNSA-N 2 1 354.498 2.219 20 30 FEEDMP C#CC[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090854 557071986 /nfs/dbraw/zinc/07/19/86/557071986.db2.gz YRKSTNIIWZLDQM-ICSRJNTNSA-N 2 1 354.498 2.219 20 30 FEEDMP C=CCOCCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093138 557072941 /nfs/dbraw/zinc/07/29/41/557072941.db2.gz IXEIIPYJKPIRSF-UHFFFAOYSA-N 2 1 351.535 2.282 20 30 FEEDMP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000372671967 557534210 /nfs/dbraw/zinc/53/42/10/557534210.db2.gz FTOYBWKXHLVVQP-RTWAWAEBSA-N 2 1 350.466 2.361 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374417494 557881346 /nfs/dbraw/zinc/88/13/46/557881346.db2.gz AVLAVWBTOHKZKS-ZHALLVOQSA-N 2 1 359.470 2.129 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374417494 557881347 /nfs/dbraw/zinc/88/13/47/557881347.db2.gz AVLAVWBTOHKZKS-ZHALLVOQSA-N 2 1 359.470 2.129 20 30 FEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000375890715 558094651 /nfs/dbraw/zinc/09/46/51/558094651.db2.gz NUBNHRTYGZKFHB-FQEVSTJZSA-N 2 1 356.514 2.427 20 30 FEEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000527049618 562274560 /nfs/dbraw/zinc/27/45/60/562274560.db2.gz GCTCEYZGDRJNKR-IRXDYDNUSA-N 2 1 354.498 2.295 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000441250369 560027245 /nfs/dbraw/zinc/02/72/45/560027245.db2.gz QIQXFDWTIHSMKZ-QYZOEREBSA-N 2 1 356.470 2.070 20 30 FEEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469850053 560966582 /nfs/dbraw/zinc/96/65/82/560966582.db2.gz GMQNBVVQIODGPG-AZUAARDMSA-N 2 1 357.498 2.332 20 30 FEEDMP CN(C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1(C#N)CCCCC1 ZINC000602844728 567999978 /nfs/dbraw/zinc/99/99/78/567999978.db2.gz FBOUHWIKOFTIKV-UHFFFAOYSA-N 2 1 355.486 2.279 20 30 FEEDMP C[NH+]=C(NCc1cc(Br)cs1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083167462 670655685 /nfs/dbraw/zinc/65/56/85/670655685.db2.gz PBRVWKKLOPMLJP-LLVKDONJSA-N 2 1 357.321 2.412 20 30 FEEDMP C[NH+]=C(NCc1cc(Br)cs1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083167462 670655687 /nfs/dbraw/zinc/65/56/87/670655687.db2.gz PBRVWKKLOPMLJP-LLVKDONJSA-N 2 1 357.321 2.412 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncc(Cl)cc1Cl ZINC000126155698 672020928 /nfs/dbraw/zinc/02/09/28/672020928.db2.gz JVUYPMGRIXDNEQ-LBPRGKRZSA-N 2 1 360.289 2.156 20 30 FEEDMP C[NH+]=C(NCCc1ccc(Br)s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262814547 672921427 /nfs/dbraw/zinc/92/14/27/672921427.db2.gz RPXJRVRCMQLUDA-NSHDSACASA-N 2 1 371.348 2.455 20 30 FEEDMP C[NH+]=C(NCCc1ccc(Br)s1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262814547 672921430 /nfs/dbraw/zinc/92/14/30/672921430.db2.gz RPXJRVRCMQLUDA-NSHDSACASA-N 2 1 371.348 2.455 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cc1 ZINC000303868045 673018186 /nfs/dbraw/zinc/01/81/86/673018186.db2.gz DHGSTHWTEMHAJX-AWEZNQCLSA-N 2 1 358.408 2.473 20 30 FEEDMP CN(C)C(=[NH+]CCC[NH+]1CCN(c2ccccc2Cl)CC1)N(C)C ZINC000303904924 673019057 /nfs/dbraw/zinc/01/90/57/673019057.db2.gz ZBPBOVJWAIUAPS-UHFFFAOYSA-N 2 1 351.926 2.331 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000328660174 673064308 /nfs/dbraw/zinc/06/43/08/673064308.db2.gz UXQRFJMVQAPTTC-QBPKDAKJSA-N 2 1 352.523 2.005 20 30 FEEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000328660174 673064313 /nfs/dbraw/zinc/06/43/13/673064313.db2.gz UXQRFJMVQAPTTC-QBPKDAKJSA-N 2 1 352.523 2.005 20 30 FEEDMP [NH3+]CCOCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923532089 684299933 /nfs/dbraw/zinc/29/99/33/684299933.db2.gz ZJVARFRIWRWPKX-OCAPTIKFSA-N 2 1 356.257 2.065 20 30 FEEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@]1(C)CCCCO1 ZINC000902792791 690808126 /nfs/dbraw/zinc/80/81/26/690808126.db2.gz DIWCARWLFJGNGB-CMKODMSKSA-N 2 1 351.535 2.457 20 30 FEEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000903446149 690894408 /nfs/dbraw/zinc/89/44/08/690894408.db2.gz UJEWXPNUOULTNU-KBXCAEBGSA-N 2 1 360.889 2.292 20 30 FEEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000066568522 541337632 /nfs/dbraw/zinc/33/76/32/541337632.db2.gz SFNZWGCWJTXSKH-UHFFFAOYSA-N 2 1 354.498 2.324 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000079303683 542511554 /nfs/dbraw/zinc/51/15/54/542511554.db2.gz LHHKGTVHQRNXOF-IRXDYDNUSA-N 2 1 372.513 2.408 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000129172750 544094940 /nfs/dbraw/zinc/09/49/40/544094940.db2.gz AEZWKCNHKLAPHS-ZWKOTPCHSA-N 2 1 360.502 2.051 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886818 327358488 /nfs/dbraw/zinc/35/84/88/327358488.db2.gz SYKMRPYZEMRAKU-LJQANCHMSA-N 2 1 372.513 2.048 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886818 327358490 /nfs/dbraw/zinc/35/84/90/327358490.db2.gz SYKMRPYZEMRAKU-LJQANCHMSA-N 2 1 372.513 2.048 20 30 FEEDMP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000156371030 545622187 /nfs/dbraw/zinc/62/21/87/545622187.db2.gz WCCHYMHNRJOHGF-OAQYLSRUSA-N 2 1 356.514 2.084 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000171715833 546220911 /nfs/dbraw/zinc/22/09/11/546220911.db2.gz OCPFNCNCEXXBMI-OAHLLOKOSA-N 2 1 362.543 2.444 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000171715833 546220915 /nfs/dbraw/zinc/22/09/15/546220915.db2.gz OCPFNCNCEXXBMI-OAHLLOKOSA-N 2 1 362.543 2.444 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000264113973 549980780 /nfs/dbraw/zinc/98/07/80/549980780.db2.gz PMEOVPVWKZAMIH-QGZVFWFLSA-N 2 1 369.469 2.421 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267272719 550029584 /nfs/dbraw/zinc/02/95/84/550029584.db2.gz ARIQPXWYALIDMC-RXVVDRJESA-N 2 1 353.510 2.358 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000296395933 553152909 /nfs/dbraw/zinc/15/29/09/553152909.db2.gz QGZKZAVOTZZOHN-UHFFFAOYSA-N 2 1 357.433 2.074 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000296395933 553152912 /nfs/dbraw/zinc/15/29/12/553152912.db2.gz QGZKZAVOTZZOHN-UHFFFAOYSA-N 2 1 357.433 2.074 20 30 FEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000329957198 554038606 /nfs/dbraw/zinc/03/86/06/554038606.db2.gz QAPQEUJQPDCZAA-FZKCQIBNSA-N 2 1 351.470 2.162 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000371288876 557132971 /nfs/dbraw/zinc/13/29/71/557132971.db2.gz GAZCETFJHJGKTE-QRVBRYPASA-N 2 1 356.470 2.070 20 30 FEEDMP C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1=O ZINC000374185531 557839831 /nfs/dbraw/zinc/83/98/31/557839831.db2.gz DIQSFFXODIFLGI-OAQYLSRUSA-N 2 1 370.541 2.436 20 30 FEEDMP C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1=O ZINC000374185531 557839833 /nfs/dbraw/zinc/83/98/33/557839833.db2.gz DIQSFFXODIFLGI-OAQYLSRUSA-N 2 1 370.541 2.436 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000418707338 559411845 /nfs/dbraw/zinc/41/18/45/559411845.db2.gz BNWJLNYFHVJBBS-UXHICEINSA-N 2 1 369.513 2.293 20 30 FEEDMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]2C2CC2)c1 ZINC000424177939 559656725 /nfs/dbraw/zinc/65/67/25/559656725.db2.gz VNHYXVXBFZTGNS-CEXWTWQISA-N 2 1 356.470 2.110 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000527768550 562303211 /nfs/dbraw/zinc/30/32/11/562303211.db2.gz PBJLWPOZHUCDIO-IBGZPJMESA-N 2 1 372.513 2.219 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000527768550 562303212 /nfs/dbraw/zinc/30/32/12/562303212.db2.gz PBJLWPOZHUCDIO-IBGZPJMESA-N 2 1 372.513 2.219 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000472267012 561022349 /nfs/dbraw/zinc/02/23/49/561022349.db2.gz AMPDTCHDNHIEQT-SFHVURJKSA-N 2 1 358.486 2.320 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000472269388 561022441 /nfs/dbraw/zinc/02/24/41/561022441.db2.gz VQMQTMGNXOHQNV-IBGZPJMESA-N 2 1 358.486 2.320 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccnc(C#N)c1 ZINC000530299739 562406057 /nfs/dbraw/zinc/40/60/57/562406057.db2.gz UZQADHZUYUYSSV-UHFFFAOYSA-N 2 1 369.513 2.222 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NCC1(O)CCC1 ZINC000262816394 672921457 /nfs/dbraw/zinc/92/14/57/672921457.db2.gz WUJRBDJXUVUCOR-HOCLYGCPSA-N 2 1 350.532 2.211 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000303888140 673018313 /nfs/dbraw/zinc/01/83/13/673018313.db2.gz LGCBNIUYGXCRPQ-CYBMUJFWSA-N 2 1 356.417 2.185 20 30 FEEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000303884736 673018613 /nfs/dbraw/zinc/01/86/13/673018613.db2.gz MVKCIIIEYLEDNS-UHFFFAOYSA-N 2 1 352.910 2.244 20 30 FEEDMP CN1CCC(CNC(=[NH2+])NCCc2cccs2)([NH+]2CCCCC2)CC1 ZINC000304798042 673020537 /nfs/dbraw/zinc/02/05/37/673020537.db2.gz NNVSIXLIXCNAQG-UHFFFAOYSA-N 2 1 363.575 2.145 20 30 FEEDMP C=CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)(C)C ZINC000661755627 678530109 /nfs/dbraw/zinc/53/01/09/678530109.db2.gz OAZNLAJYNWMXTE-UHFFFAOYSA-N 2 1 351.535 2.424 20 30 FEEDMP C=CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)(C)C ZINC000661755627 678530112 /nfs/dbraw/zinc/53/01/12/678530112.db2.gz OAZNLAJYNWMXTE-UHFFFAOYSA-N 2 1 351.535 2.424 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662449328 678622374 /nfs/dbraw/zinc/62/23/74/678622374.db2.gz XXBGMTDCIGNKHZ-UHFFFAOYSA-N 2 1 370.316 2.494 20 30 FEEDMP C=C(Cl)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672285 680637368 /nfs/dbraw/zinc/63/73/68/680637368.db2.gz QBKNCNWRPPQSDY-BRWVUGGUSA-N 2 1 369.937 2.066 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001007368945 680637508 /nfs/dbraw/zinc/63/75/08/680637508.db2.gz MSZPGBMDWSCZAT-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001007368945 680637512 /nfs/dbraw/zinc/63/75/12/680637512.db2.gz MSZPGBMDWSCZAT-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001007368945 680637516 /nfs/dbraw/zinc/63/75/16/680637516.db2.gz MSZPGBMDWSCZAT-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007368945 680637521 /nfs/dbraw/zinc/63/75/21/680637521.db2.gz MSZPGBMDWSCZAT-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001007368945 680637523 /nfs/dbraw/zinc/63/75/23/680637523.db2.gz MSZPGBMDWSCZAT-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485170 684290980 /nfs/dbraw/zinc/29/09/80/684290980.db2.gz WGJCCEJMZUIDHI-MRXNPFEDSA-N 2 1 365.543 2.040 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000872178281 684924889 /nfs/dbraw/zinc/92/48/89/684924889.db2.gz UIACEPHLFBXTJH-CQSZACIVSA-N 2 1 362.865 2.416 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000872178281 684924892 /nfs/dbraw/zinc/92/48/92/684924892.db2.gz UIACEPHLFBXTJH-CQSZACIVSA-N 2 1 362.865 2.416 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000876873944 686285471 /nfs/dbraw/zinc/28/54/71/686285471.db2.gz VVJUHKZSQYPPIE-QGZVFWFLSA-N 2 1 351.878 2.199 20 30 FEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000876873944 686285476 /nfs/dbraw/zinc/28/54/76/686285476.db2.gz VVJUHKZSQYPPIE-QGZVFWFLSA-N 2 1 351.878 2.199 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067361159 541449476 /nfs/dbraw/zinc/44/94/76/541449476.db2.gz CAUOKNLCTOUQBS-FQEVSTJZSA-N 2 1 353.510 2.360 20 30 FEEDMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C1CC1 ZINC000105266110 543167297 /nfs/dbraw/zinc/16/72/97/543167297.db2.gz ZMBMRJXHLYRCFH-QGZVFWFLSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1 ZINC000105266110 543167299 /nfs/dbraw/zinc/16/72/99/543167299.db2.gz ZMBMRJXHLYRCFH-QGZVFWFLSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1 ZINC000105266110 543167302 /nfs/dbraw/zinc/16/73/02/543167302.db2.gz ZMBMRJXHLYRCFH-QGZVFWFLSA-N 2 1 369.513 2.258 20 30 FEEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190778318 328232158 /nfs/dbraw/zinc/23/21/58/328232158.db2.gz MZZNQUYLTCPJNK-UHFFFAOYSA-N 2 1 351.498 2.324 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C#N)c1 ZINC000173790592 327284472 /nfs/dbraw/zinc/28/44/72/327284472.db2.gz OERHERBQRVHZOC-IBGZPJMESA-N 2 1 357.502 2.116 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000171736852 546222709 /nfs/dbraw/zinc/22/27/09/546222709.db2.gz RZUAINFUFAEEQK-UHFFFAOYSA-N 2 1 356.514 2.473 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187455156 548257252 /nfs/dbraw/zinc/25/72/52/548257252.db2.gz PENXIWFGXKGSDV-NRFANRHFSA-N 2 1 353.510 2.358 20 30 FEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000249296892 549577922 /nfs/dbraw/zinc/57/79/22/549577922.db2.gz NBRNFQIJMFRVKR-WGMWDUQUSA-N 2 1 356.514 2.495 20 30 FEEDMP C[NH+]=C(NCc1ccco1)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000264789299 550001635 /nfs/dbraw/zinc/00/16/35/550001635.db2.gz GYCWDXXNMIGXKO-UHFFFAOYSA-N 2 1 359.474 2.462 20 30 FEEDMP Cc1ccc([C@H]2OCCC[C@@H]2CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267454521 550031548 /nfs/dbraw/zinc/03/15/48/550031548.db2.gz SLBAJFUGLDUFEI-WOJBJXKFSA-N 2 1 374.529 2.089 20 30 FEEDMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000272968075 550478712 /nfs/dbraw/zinc/47/87/12/550478712.db2.gz ODLJTCKZKIZEKS-QGZVFWFLSA-N 2 1 369.513 2.282 20 30 FEEDMP CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048487 551173689 /nfs/dbraw/zinc/17/36/89/551173689.db2.gz LWOKYWQXINSTFN-OXQOHEQNSA-N 2 1 357.502 2.453 20 30 FEEDMP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693348 /nfs/dbraw/zinc/69/33/48/552693348.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 2 1 358.511 2.465 20 30 FEEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693349 /nfs/dbraw/zinc/69/33/49/552693349.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 2 1 358.511 2.465 20 30 FEEDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693350 /nfs/dbraw/zinc/69/33/50/552693350.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 2 1 358.511 2.465 20 30 FEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292094837 552693352 /nfs/dbraw/zinc/69/33/52/552693352.db2.gz HFRQRKFMUAGDJL-IBGZPJMESA-N 2 1 358.511 2.465 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504316259 561656200 /nfs/dbraw/zinc/65/62/00/561656200.db2.gz GBUZVCRBLDHNFP-WOJBJXKFSA-N 2 1 369.513 2.258 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504316256 561656257 /nfs/dbraw/zinc/65/62/57/561656257.db2.gz GBUZVCRBLDHNFP-PMACEKPBSA-N 2 1 369.513 2.258 20 30 FEEDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cn2)CC1 ZINC000330270960 554097155 /nfs/dbraw/zinc/09/71/55/554097155.db2.gz VBZYKQAWJICHOW-SFHVURJKSA-N 2 1 357.502 2.307 20 30 FEEDMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000332936429 554545742 /nfs/dbraw/zinc/54/57/42/554545742.db2.gz XALCJMVJEUSQLF-PXNSSMCTSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000332936429 554545743 /nfs/dbraw/zinc/54/57/43/554545743.db2.gz XALCJMVJEUSQLF-PXNSSMCTSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000332936429 554545746 /nfs/dbraw/zinc/54/57/46/554545746.db2.gz XALCJMVJEUSQLF-PXNSSMCTSA-N 2 1 369.513 2.258 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000369590666 556640906 /nfs/dbraw/zinc/64/09/06/556640906.db2.gz GJNLZQXWMIQSNE-UHFFFAOYSA-N 2 1 374.554 2.267 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000370942578 557023794 /nfs/dbraw/zinc/02/37/94/557023794.db2.gz QRZKFWFTDSDJTI-DNVCBOLYSA-N 2 1 374.554 2.123 20 30 FEEDMP C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000371090855 557071849 /nfs/dbraw/zinc/07/18/49/557071849.db2.gz YRKSTNIIWZLDQM-QUCCMNQESA-N 2 1 354.498 2.219 20 30 FEEDMP C#CC[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090855 557071857 /nfs/dbraw/zinc/07/18/57/557071857.db2.gz YRKSTNIIWZLDQM-QUCCMNQESA-N 2 1 354.498 2.219 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000521583232 562179361 /nfs/dbraw/zinc/17/93/61/562179361.db2.gz YQJSSBXJWQPETE-IBGZPJMESA-N 2 1 366.550 2.073 20 30 FEEDMP C[NH+]1CCC([NH+]2CCC(CCNc3nccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000378130814 558487700 /nfs/dbraw/zinc/48/77/00/558487700.db2.gz CAOIOSPGZYPCSS-UHFFFAOYSA-N 2 1 372.473 2.470 20 30 FEEDMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418445067 559401936 /nfs/dbraw/zinc/40/19/36/559401936.db2.gz MWUOAATXCMAISY-LJQANCHMSA-N 2 1 357.502 2.293 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422211524 559571664 /nfs/dbraw/zinc/57/16/64/559571664.db2.gz DBGNZZSNRXOJOK-OAHLLOKOSA-N 2 1 363.531 2.177 20 30 FEEDMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]2C2CC2)c1 ZINC000424177942 559656656 /nfs/dbraw/zinc/65/66/56/559656656.db2.gz VNHYXVXBFZTGNS-IPMKNSEASA-N 2 1 356.470 2.110 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[NH+](C)[C@H]3C)n2)CCC[N@H+]1C ZINC000436354610 559940475 /nfs/dbraw/zinc/94/04/75/559940475.db2.gz CBPGUBDJAMBLQO-ATLSCFEFSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@H+](C)[C@H]3C)n2)CCC[NH+]1C ZINC000436354610 559940476 /nfs/dbraw/zinc/94/04/76/559940476.db2.gz CBPGUBDJAMBLQO-ATLSCFEFSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@@H+](C)[C@H]3C)n2)CCC[NH+]1C ZINC000436354610 559940477 /nfs/dbraw/zinc/94/04/77/559940477.db2.gz CBPGUBDJAMBLQO-ATLSCFEFSA-N 2 1 356.518 2.742 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccc(C#N)c1 ZINC000466815174 560896471 /nfs/dbraw/zinc/89/64/71/560896471.db2.gz LKCJJOMWUFXCPL-HXUWFJFHSA-N 2 1 371.529 2.158 20 30 FEEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000565945515 675162801 /nfs/dbraw/zinc/16/28/01/675162801.db2.gz IRGRXQMLFIRZMY-KRWDZBQOSA-N 2 1 363.527 2.434 20 30 FEEDMP [NH2+]=C(NCCCCCc1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000186881473 672557732 /nfs/dbraw/zinc/55/77/32/672557732.db2.gz GWWPUWODHMNPRR-UHFFFAOYSA-N 2 1 350.482 2.165 20 30 FEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCSCC1)c1cccc(OC)c1 ZINC000303783597 673017734 /nfs/dbraw/zinc/01/77/34/673017734.db2.gz OKAUVDZMWSHLAJ-KRWDZBQOSA-N 2 1 350.532 2.442 20 30 FEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303975526 673019004 /nfs/dbraw/zinc/01/90/04/673019004.db2.gz JDIZHDBQOONTCR-SJORKVTESA-N 2 1 353.555 2.048 20 30 FEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303975523 673019157 /nfs/dbraw/zinc/01/91/57/673019157.db2.gz JDIZHDBQOONTCR-DLBZAZTESA-N 2 1 353.555 2.048 20 30 FEEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCSCC#N)CC2)C[C@@H](C)O1 ZINC000536932956 673382038 /nfs/dbraw/zinc/38/20/38/673382038.db2.gz DETJYJBUKFMHOO-IAGOWNOFSA-N 2 1 355.548 2.223 20 30 FEEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000819334387 675282466 /nfs/dbraw/zinc/28/24/66/675282466.db2.gz IAOUIKJFCIATQS-UHFFFAOYSA-N 2 1 352.276 2.322 20 30 FEEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000819334387 675282469 /nfs/dbraw/zinc/28/24/69/675282469.db2.gz IAOUIKJFCIATQS-UHFFFAOYSA-N 2 1 352.276 2.322 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001028552567 680375789 /nfs/dbraw/zinc/37/57/89/680375789.db2.gz QHSGVMKXNASANO-FHLIZLRMSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001028552567 680375795 /nfs/dbraw/zinc/37/57/95/680375795.db2.gz QHSGVMKXNASANO-FHLIZLRMSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001028552567 680375802 /nfs/dbraw/zinc/37/58/02/680375802.db2.gz QHSGVMKXNASANO-FHLIZLRMSA-N 2 1 360.527 2.288 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001046330995 680646913 /nfs/dbraw/zinc/64/69/13/680646913.db2.gz ZBAAWNISRKKGGG-YQVWRLOYSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001046330995 680646916 /nfs/dbraw/zinc/64/69/16/680646916.db2.gz ZBAAWNISRKKGGG-YQVWRLOYSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330995 680646918 /nfs/dbraw/zinc/64/69/18/680646918.db2.gz ZBAAWNISRKKGGG-YQVWRLOYSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330995 680646920 /nfs/dbraw/zinc/64/69/20/680646920.db2.gz ZBAAWNISRKKGGG-YQVWRLOYSA-N 2 1 360.527 2.431 20 30 FEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000846100836 681183306 /nfs/dbraw/zinc/18/33/06/681183306.db2.gz AMMFXWPFLARVFR-MJGOQNOKSA-N 2 1 359.539 2.434 20 30 FEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846100836 681183309 /nfs/dbraw/zinc/18/33/09/681183309.db2.gz AMMFXWPFLARVFR-MJGOQNOKSA-N 2 1 359.539 2.434 20 30 FEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000846100836 681183311 /nfs/dbraw/zinc/18/33/11/681183311.db2.gz AMMFXWPFLARVFR-MJGOQNOKSA-N 2 1 359.539 2.434 20 30 FEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000846100836 681183315 /nfs/dbraw/zinc/18/33/15/681183315.db2.gz AMMFXWPFLARVFR-MJGOQNOKSA-N 2 1 359.539 2.434 20 30 FEEDMP Cc1ncsc1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1 ZINC000923336382 684265280 /nfs/dbraw/zinc/26/52/80/684265280.db2.gz KKJSKWKKWMIRIR-WMZOPIPTSA-N 2 1 356.495 2.468 20 30 FEEDMP Cc1ncsc1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1 ZINC000923336382 684265287 /nfs/dbraw/zinc/26/52/87/684265287.db2.gz KKJSKWKKWMIRIR-WMZOPIPTSA-N 2 1 356.495 2.468 20 30 FEEDMP C=CCOc1cc(C)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682307 719623501 /nfs/dbraw/zinc/62/35/01/719623501.db2.gz MIPUESJQSNBGMS-UHFFFAOYSA-N 2 1 356.474 2.021 20 30 FEEDMP C=CCOc1cc(C)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682307 719623504 /nfs/dbraw/zinc/62/35/04/719623504.db2.gz MIPUESJQSNBGMS-UHFFFAOYSA-N 2 1 356.474 2.021 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2C[N@H+](CCC)C3)CC1 ZINC000076512723 542287587 /nfs/dbraw/zinc/28/75/87/542287587.db2.gz NIOGTIJDXMTVBY-UHFFFAOYSA-N 2 1 370.497 2.117 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)CC1 ZINC000076512723 542287590 /nfs/dbraw/zinc/28/75/90/542287590.db2.gz NIOGTIJDXMTVBY-UHFFFAOYSA-N 2 1 370.497 2.117 20 30 FEEDMP C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076736343 542319525 /nfs/dbraw/zinc/31/95/25/542319525.db2.gz XHEYWCWPGVAPPA-SFHVURJKSA-N 2 1 359.514 2.422 20 30 FEEDMP C=CCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076736343 542319527 /nfs/dbraw/zinc/31/95/27/542319527.db2.gz XHEYWCWPGVAPPA-SFHVURJKSA-N 2 1 359.514 2.422 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080572493 542595561 /nfs/dbraw/zinc/59/55/61/542595561.db2.gz YRNKDDGTBAJJJL-VQTJNVASSA-N 2 1 354.498 2.323 20 30 FEEDMP CC(C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000102063472 543058325 /nfs/dbraw/zinc/05/83/25/543058325.db2.gz JHADFMUZBBAQHT-UHFFFAOYSA-N 2 1 357.502 2.116 20 30 FEEDMP CC(C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000102063472 543058327 /nfs/dbraw/zinc/05/83/27/543058327.db2.gz JHADFMUZBBAQHT-UHFFFAOYSA-N 2 1 357.502 2.116 20 30 FEEDMP CC(C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000102063472 543058330 /nfs/dbraw/zinc/05/83/30/543058330.db2.gz JHADFMUZBBAQHT-UHFFFAOYSA-N 2 1 357.502 2.116 20 30 FEEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000109755996 543337643 /nfs/dbraw/zinc/33/76/43/543337643.db2.gz YXEHQOVWUNBNEI-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000109755996 543337645 /nfs/dbraw/zinc/33/76/45/543337645.db2.gz YXEHQOVWUNBNEI-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP CCC[NH+]1CCC(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1 ZINC000112358089 325775140 /nfs/dbraw/zinc/77/51/40/325775140.db2.gz DCXJADRBPDATQC-UHFFFAOYSA-N 2 1 356.514 2.429 20 30 FEEDMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000483218135 561270966 /nfs/dbraw/zinc/27/09/66/561270966.db2.gz GJUXWJAFUJYLOL-UHFFFAOYSA-N 2 1 365.437 2.113 20 30 FEEDMP CCN(CCC#N)C(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248865412 549517194 /nfs/dbraw/zinc/51/71/94/549517194.db2.gz AWMMNZZDUBSOII-WGMWDUQUSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248865412 549517198 /nfs/dbraw/zinc/51/71/98/549517198.db2.gz AWMMNZZDUBSOII-WGMWDUQUSA-N 2 1 356.514 2.495 20 30 FEEDMP C=CCCCS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489555377 561414216 /nfs/dbraw/zinc/41/42/16/561414216.db2.gz UKYVVCZFDBALPI-UHFFFAOYSA-N 2 1 371.591 2.411 20 30 FEEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264123749 549981821 /nfs/dbraw/zinc/98/18/21/549981821.db2.gz VSBKXTJVVIRQLR-UHFFFAOYSA-N 2 1 364.497 2.249 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(F)cc2)n1 ZINC000264330164 549994593 /nfs/dbraw/zinc/99/45/93/549994593.db2.gz ZYORGYQSHUEVPF-QGZVFWFLSA-N 2 1 359.449 2.412 20 30 FEEDMP CCn1cnnc1C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329162303 553892802 /nfs/dbraw/zinc/89/28/02/553892802.db2.gz ZNRFUTBPNZBAOJ-UHFFFAOYSA-N 2 1 360.506 2.061 20 30 FEEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330095560 554063294 /nfs/dbraw/zinc/06/32/94/554063294.db2.gz VSPRHFFTLQNDIL-UHFFFAOYSA-N 2 1 356.474 2.402 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000370015851 556758318 /nfs/dbraw/zinc/75/83/18/556758318.db2.gz FZFYTVXJGGYNTI-FQEVSTJZSA-N 2 1 357.473 2.394 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000370015851 556758321 /nfs/dbraw/zinc/75/83/21/556758321.db2.gz FZFYTVXJGGYNTI-FQEVSTJZSA-N 2 1 357.473 2.394 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374417492 557881266 /nfs/dbraw/zinc/88/12/66/557881266.db2.gz AVLAVWBTOHKZKS-JENIJYKNSA-N 2 1 359.470 2.129 20 30 FEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374417492 557881268 /nfs/dbraw/zinc/88/12/68/557881268.db2.gz AVLAVWBTOHKZKS-JENIJYKNSA-N 2 1 359.470 2.129 20 30 FEEDMP C(#CC[N@@H+]1CCC[C@H](n2cccn2)C1)C[NH+]1CCC[C@H](n2cccn2)C1 ZINC000375386545 558019177 /nfs/dbraw/zinc/01/91/77/558019177.db2.gz IQQNJXLYWCWPFO-PMACEKPBSA-N 2 1 352.486 2.057 20 30 FEEDMP C(#CC[N@H+]1CCC[C@H](n2cccn2)C1)C[NH+]1CCC[C@H](n2cccn2)C1 ZINC000375386545 558019178 /nfs/dbraw/zinc/01/91/78/558019178.db2.gz IQQNJXLYWCWPFO-PMACEKPBSA-N 2 1 352.486 2.057 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375472060 558033164 /nfs/dbraw/zinc/03/31/64/558033164.db2.gz NAJNLXNPHJUIJC-FZWBFHRNSA-N 2 1 360.542 2.480 20 30 FEEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000375472060 558033165 /nfs/dbraw/zinc/03/31/65/558033165.db2.gz NAJNLXNPHJUIJC-FZWBFHRNSA-N 2 1 360.542 2.480 20 30 FEEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000375472060 558033167 /nfs/dbraw/zinc/03/31/67/558033167.db2.gz NAJNLXNPHJUIJC-FZWBFHRNSA-N 2 1 360.542 2.480 20 30 FEEDMP C(#CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473795 558033682 /nfs/dbraw/zinc/03/36/82/558033682.db2.gz OMWDKPVUBJINMF-QZTJIDSGSA-N 2 1 352.486 2.195 20 30 FEEDMP C(#CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473795 558033683 /nfs/dbraw/zinc/03/36/83/558033683.db2.gz OMWDKPVUBJINMF-QZTJIDSGSA-N 2 1 352.486 2.195 20 30 FEEDMP C=CCc1cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1O ZINC000378357235 558537923 /nfs/dbraw/zinc/53/79/23/558537923.db2.gz VIDZGUNZZZCOFR-LJQANCHMSA-N 2 1 359.514 2.341 20 30 FEEDMP C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378371934 558542100 /nfs/dbraw/zinc/54/21/00/558542100.db2.gz SYBJGPIJUAATFG-GOSISDBHSA-N 2 1 356.514 2.427 20 30 FEEDMP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000424127414 559655685 /nfs/dbraw/zinc/65/56/85/559655685.db2.gz CZRKGVWOQVADBL-KRWDZBQOSA-N 2 1 350.413 2.067 20 30 FEEDMP CN(c1ccccc1C[NH+]1CCN(CCC#N)CC1)C1CC[NH+](C)CC1 ZINC000602747595 568022447 /nfs/dbraw/zinc/02/24/47/568022447.db2.gz CVSJOQPAKHUAPS-UHFFFAOYSA-N 2 1 355.530 2.248 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083131186 670655646 /nfs/dbraw/zinc/65/56/46/670655646.db2.gz OHCOOCWRUKJXEH-JTQLQIEISA-N 2 1 357.321 2.412 20 30 FEEDMP C[NH+]=C(NCc1ccc(Br)s1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083131186 670655648 /nfs/dbraw/zinc/65/56/48/670655648.db2.gz OHCOOCWRUKJXEH-JTQLQIEISA-N 2 1 357.321 2.412 20 30 FEEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160712787 672292967 /nfs/dbraw/zinc/29/29/67/672292967.db2.gz AMPSXIROTNIHRK-LBPRGKRZSA-N 2 1 360.380 2.423 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)c1 ZINC000303878064 673017850 /nfs/dbraw/zinc/01/78/50/673017850.db2.gz IYKNBJZJCTTZKH-CQSZACIVSA-N 2 1 358.408 2.473 20 30 FEEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000304482732 673020246 /nfs/dbraw/zinc/02/02/46/673020246.db2.gz BFPHLELIEGFUGH-UHFFFAOYSA-N 2 1 370.900 2.383 20 30 FEEDMP CCCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C(=O)OC(C)(C)C ZINC000305269406 673021318 /nfs/dbraw/zinc/02/13/18/673021318.db2.gz SFZOUXBDOGRLDP-HNNXBMFYSA-N 2 1 355.527 2.022 20 30 FEEDMP C=CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)COC ZINC000617582619 676293351 /nfs/dbraw/zinc/29/33/51/676293351.db2.gz QOFKLPBTYKKDDS-KRWDZBQOSA-N 2 1 351.535 2.232 20 30 FEEDMP C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000845601519 681140602 /nfs/dbraw/zinc/14/06/02/681140602.db2.gz QLSVQZJCLZZKTL-MSOLQXFVSA-N 2 1 352.523 2.473 20 30 FEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819334136 675282278 /nfs/dbraw/zinc/28/22/78/675282278.db2.gz COAVWHMYCORYJU-MRXNPFEDSA-N 2 1 357.267 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819334136 675282280 /nfs/dbraw/zinc/28/22/80/675282280.db2.gz COAVWHMYCORYJU-MRXNPFEDSA-N 2 1 357.267 2.340 20 30 FEEDMP CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000053975477 540562481 /nfs/dbraw/zinc/56/24/81/540562481.db2.gz ZUARBCHASHEFNI-UHFFFAOYSA-N 2 1 369.513 2.260 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000125553419 543887583 /nfs/dbraw/zinc/88/75/83/543887583.db2.gz ZIBJKMQRUPCEGL-IEBWSBKVSA-N 2 1 372.513 2.200 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160693532 546064066 /nfs/dbraw/zinc/06/40/66/546064066.db2.gz FGNZKPNJDXWGPI-HXUWFJFHSA-N 2 1 369.513 2.116 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000171711725 546220384 /nfs/dbraw/zinc/22/03/84/546220384.db2.gz DWTZBZYNPKTGID-UHFFFAOYSA-N 2 1 356.514 2.384 20 30 FEEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000263722375 549925707 /nfs/dbraw/zinc/92/57/07/549925707.db2.gz WLVOAKHWUCGDDE-FQEVSTJZSA-N 2 1 371.529 2.069 20 30 FEEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000263722375 549925713 /nfs/dbraw/zinc/92/57/13/549925713.db2.gz WLVOAKHWUCGDDE-FQEVSTJZSA-N 2 1 371.529 2.069 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000264564880 549997895 /nfs/dbraw/zinc/99/78/95/549997895.db2.gz RFEJNPKVPNCIEM-OAQYLSRUSA-N 2 1 368.525 2.240 20 30 FEEDMP COc1ccc(CCNC(=[NH2+])NCCCCn2cc[nH+]c2C)cc1OC ZINC000267466872 550032320 /nfs/dbraw/zinc/03/23/20/550032320.db2.gz WREIAANMLVNSSO-UHFFFAOYSA-N 2 1 359.474 2.136 20 30 FEEDMP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562268 550458152 /nfs/dbraw/zinc/45/81/52/550458152.db2.gz GUMVMTXFDOQYMW-XANXLALBSA-N 2 1 368.481 2.013 20 30 FEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856973 550559909 /nfs/dbraw/zinc/55/99/09/550559909.db2.gz SNZBKDXBQBEGQK-AZUAARDMSA-N 2 1 367.497 2.143 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000274856973 550559910 /nfs/dbraw/zinc/55/99/10/550559910.db2.gz SNZBKDXBQBEGQK-AZUAARDMSA-N 2 1 367.497 2.143 20 30 FEEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285626551 551785264 /nfs/dbraw/zinc/78/52/64/551785264.db2.gz QZQOALGBNNGDPQ-NRFANRHFSA-N 2 1 354.498 2.347 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285626551 551785266 /nfs/dbraw/zinc/78/52/66/551785266.db2.gz QZQOALGBNNGDPQ-NRFANRHFSA-N 2 1 354.498 2.347 20 30 FEEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285626551 551785268 /nfs/dbraw/zinc/78/52/68/551785268.db2.gz QZQOALGBNNGDPQ-NRFANRHFSA-N 2 1 354.498 2.347 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000299152547 553522443 /nfs/dbraw/zinc/52/24/43/553522443.db2.gz MZUXTMVFCYGFKR-UHFFFAOYSA-N 2 1 357.473 2.205 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000299152547 553522445 /nfs/dbraw/zinc/52/24/45/553522445.db2.gz MZUXTMVFCYGFKR-UHFFFAOYSA-N 2 1 357.473 2.205 20 30 FEEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000304757420 553747712 /nfs/dbraw/zinc/74/77/12/553747712.db2.gz OVPITPQJGBGKJG-IEBWSBKVSA-N 2 1 362.518 2.409 20 30 FEEDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cn2)CC1 ZINC000330270959 554097262 /nfs/dbraw/zinc/09/72/62/554097262.db2.gz VBZYKQAWJICHOW-GOSISDBHSA-N 2 1 357.502 2.307 20 30 FEEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360588295 554881125 /nfs/dbraw/zinc/88/11/25/554881125.db2.gz MPYDGHBUYKVKIT-QGZVFWFLSA-N 2 1 370.497 2.320 20 30 FEEDMP FC(F)OC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512838131 561917351 /nfs/dbraw/zinc/91/73/51/561917351.db2.gz BKYSENXZCUCVKO-ZIAGYGMSSA-N 2 1 352.372 2.112 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000365529051 555600090 /nfs/dbraw/zinc/60/00/90/555600090.db2.gz SUCLJXLHUJRRRH-OAQYLSRUSA-N 2 1 357.498 2.383 20 30 FEEDMP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000517345567 562086035 /nfs/dbraw/zinc/08/60/35/562086035.db2.gz HFKIYCJBBYRJLW-KRWDZBQOSA-N 2 1 358.461 2.142 20 30 FEEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cn2)CC1 ZINC000418145818 559391835 /nfs/dbraw/zinc/39/18/35/559391835.db2.gz OFNDNRYXUDWLNK-HXUWFJFHSA-N 2 1 362.481 2.267 20 30 FEEDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)ccc2C#N)CCC[NH+]1C ZINC000436354612 559940487 /nfs/dbraw/zinc/94/04/87/559940487.db2.gz CBPGUBDJAMBLQO-JOCBIADPSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@H+](C)[C@@H]3C)n2)CCC[NH+]1C ZINC000436354612 559940488 /nfs/dbraw/zinc/94/04/88/559940488.db2.gz CBPGUBDJAMBLQO-JOCBIADPSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)n2)CCC[NH+]1C ZINC000436354612 559940489 /nfs/dbraw/zinc/94/04/89/559940489.db2.gz CBPGUBDJAMBLQO-JOCBIADPSA-N 2 1 356.518 2.742 20 30 FEEDMP Cc1[nH]c(C#N)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450059730 560249571 /nfs/dbraw/zinc/24/95/71/560249571.db2.gz LDFUTFJQJLKXFP-UHFFFAOYSA-N 2 1 371.529 2.463 20 30 FEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000601968585 567889948 /nfs/dbraw/zinc/88/99/48/567889948.db2.gz OVGPMKKISSOSBZ-HLAWJBBLSA-N 2 1 371.525 2.415 20 30 FEEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000602587270 567994506 /nfs/dbraw/zinc/99/45/06/567994506.db2.gz YRPMMOXLXYDXSJ-QGZVFWFLSA-N 2 1 358.486 2.377 20 30 FEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC(OC(C)(C)C)CC1 ZINC000261820100 672903456 /nfs/dbraw/zinc/90/34/56/672903456.db2.gz UKSFDZBVXQLHEE-GOSISDBHSA-N 2 1 356.580 2.279 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000303778317 673017464 /nfs/dbraw/zinc/01/74/64/673017464.db2.gz JLUXNUYKNLBFRA-CQSZACIVSA-N 2 1 366.893 2.042 20 30 FEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000661118443 678437345 /nfs/dbraw/zinc/43/73/45/678437345.db2.gz DVNIZHUBITUDIP-QRVBRYPASA-N 2 1 351.535 2.184 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001024967442 680308457 /nfs/dbraw/zinc/30/84/57/680308457.db2.gz OVDYQTHTOFSQMD-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000928121993 683398830 /nfs/dbraw/zinc/39/88/30/683398830.db2.gz MTBCWLABKZACRW-HZPDHXFCSA-N 2 1 355.404 2.283 20 30 FEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000928121993 683398835 /nfs/dbraw/zinc/39/88/35/683398835.db2.gz MTBCWLABKZACRW-HZPDHXFCSA-N 2 1 355.404 2.283 20 30 FEEDMP CC(C)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879703418 686891562 /nfs/dbraw/zinc/89/15/62/686891562.db2.gz LYBAWEQZHHAFJR-LJQANCHMSA-N 2 1 351.535 2.358 20 30 FEEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000903446161 690894386 /nfs/dbraw/zinc/89/43/86/690894386.db2.gz UJEWXPNUOULTNU-RDTXWAMCSA-N 2 1 360.889 2.292 20 30 FEEDMP N#Cc1c2c(cnc1N1CC[C@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)C[NH2+]CCC2 ZINC001164723639 720329928 /nfs/dbraw/zinc/32/99/28/720329928.db2.gz IHKGSIHGOPRAMG-SFTDATJTSA-N 2 1 374.492 2.237 20 30 FEEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C#N)CC1 ZINC000057877453 540821464 /nfs/dbraw/zinc/82/14/64/540821464.db2.gz XEQSHYWCPFMJNP-KRWDZBQOSA-N 2 1 354.498 2.391 20 30 FEEDMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075007498 542144555 /nfs/dbraw/zinc/14/45/55/542144555.db2.gz RKHSJNBHOVLMLI-PXNSSMCTSA-N 2 1 366.550 2.252 20 30 FEEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571830 547515175 /nfs/dbraw/zinc/51/51/75/547515175.db2.gz APIWIKDRJDTLOB-GURQWTFNSA-N 2 1 362.562 2.042 20 30 FEEDMP CCCCCCNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264083305 549977177 /nfs/dbraw/zinc/97/71/77/549977177.db2.gz JBVPNWFBXSDCJX-UHFFFAOYSA-N 2 1 359.518 2.059 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264344631 549994300 /nfs/dbraw/zinc/99/43/00/549994300.db2.gz WBFMFLWSKOWUFB-HXUWFJFHSA-N 2 1 353.510 2.012 20 30 FEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536737 550383698 /nfs/dbraw/zinc/38/36/98/550383698.db2.gz XVEGPOCGDFYMBS-WLOXRLQYSA-N 2 1 368.481 2.013 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000271536737 550383699 /nfs/dbraw/zinc/38/36/99/550383699.db2.gz XVEGPOCGDFYMBS-WLOXRLQYSA-N 2 1 368.481 2.013 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272793764 550471050 /nfs/dbraw/zinc/47/10/50/550471050.db2.gz ABMUAAUJZAWETO-XUVXKRRUSA-N 2 1 362.539 2.478 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272793764 550471053 /nfs/dbraw/zinc/47/10/53/550471053.db2.gz ABMUAAUJZAWETO-XUVXKRRUSA-N 2 1 362.539 2.478 20 30 FEEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000329972584 554041591 /nfs/dbraw/zinc/04/15/91/554041591.db2.gz YFNSVOZHWSTZCN-LZLYRXPVSA-N 2 1 357.502 2.308 20 30 FEEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000329972584 554041595 /nfs/dbraw/zinc/04/15/95/554041595.db2.gz YFNSVOZHWSTZCN-LZLYRXPVSA-N 2 1 357.502 2.308 20 30 FEEDMP CCc1n[nH]c(C2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000330128535 554070250 /nfs/dbraw/zinc/07/02/50/554070250.db2.gz NRRBTRLHTWQYGV-UHFFFAOYSA-N 2 1 360.506 2.130 20 30 FEEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368417934 556303184 /nfs/dbraw/zinc/30/31/84/556303184.db2.gz VFYAHFORLTUCHT-BHIYHBOVSA-N 2 1 373.497 2.425 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205436 557106974 /nfs/dbraw/zinc/10/69/74/557106974.db2.gz RVNHAJILOCGSDT-PMACEKPBSA-N 2 1 357.498 2.496 20 30 FEEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371205436 557106980 /nfs/dbraw/zinc/10/69/80/557106980.db2.gz RVNHAJILOCGSDT-PMACEKPBSA-N 2 1 357.498 2.496 20 30 FEEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997238 557961524 /nfs/dbraw/zinc/96/15/24/557961524.db2.gz JITVZDUVKFNERX-UHFFFAOYSA-N 2 1 357.498 2.147 20 30 FEEDMP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000521995344 562188521 /nfs/dbraw/zinc/18/85/21/562188521.db2.gz DUEHCIICLAVISC-PMACEKPBSA-N 2 1 358.530 2.083 20 30 FEEDMP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000521995344 562188522 /nfs/dbraw/zinc/18/85/22/562188522.db2.gz DUEHCIICLAVISC-PMACEKPBSA-N 2 1 358.530 2.083 20 30 FEEDMP CN(CCC#N)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000378353362 558536899 /nfs/dbraw/zinc/53/68/99/558536899.db2.gz XJKICZVEDWCTQA-NRFANRHFSA-N 2 1 355.530 2.248 20 30 FEEDMP CN(CCC#N)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000378353362 558536901 /nfs/dbraw/zinc/53/69/01/558536901.db2.gz XJKICZVEDWCTQA-NRFANRHFSA-N 2 1 355.530 2.248 20 30 FEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)C(C)C ZINC000417061769 559346274 /nfs/dbraw/zinc/34/62/74/559346274.db2.gz LGORUGZVHYRSFZ-PMACEKPBSA-N 2 1 371.529 2.436 20 30 FEEDMP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847299 568000486 /nfs/dbraw/zinc/00/04/86/568000486.db2.gz VZOUHDNNHJHCDL-FQEVSTJZSA-N 2 1 366.465 2.100 20 30 FEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262804118 672921509 /nfs/dbraw/zinc/92/15/09/672921509.db2.gz RPMNAULUDSXZMI-RTBURBONSA-N 2 1 368.591 2.282 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(Br)c1 ZINC000303971311 673019138 /nfs/dbraw/zinc/01/91/38/673019138.db2.gz DIPLIWOBULFKDA-CYBMUJFWSA-N 2 1 369.307 2.346 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000836489382 680476036 /nfs/dbraw/zinc/47/60/36/680476036.db2.gz YWLIBFXLSBIUMH-AEFFLSMTSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000836489382 680476037 /nfs/dbraw/zinc/47/60/37/680476037.db2.gz YWLIBFXLSBIUMH-AEFFLSMTSA-N 2 1 362.543 2.385 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000836489382 680476038 /nfs/dbraw/zinc/47/60/38/680476038.db2.gz YWLIBFXLSBIUMH-AEFFLSMTSA-N 2 1 362.543 2.385 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001046330994 680647320 /nfs/dbraw/zinc/64/73/20/680647320.db2.gz ZBAAWNISRKKGGG-SCTDSRPQSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001046330994 680647323 /nfs/dbraw/zinc/64/73/23/680647323.db2.gz ZBAAWNISRKKGGG-SCTDSRPQSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330994 680647325 /nfs/dbraw/zinc/64/73/25/680647325.db2.gz ZBAAWNISRKKGGG-SCTDSRPQSA-N 2 1 360.527 2.431 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001046330994 680647329 /nfs/dbraw/zinc/64/73/29/680647329.db2.gz ZBAAWNISRKKGGG-SCTDSRPQSA-N 2 1 360.527 2.431 20 30 FEEDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000931482817 684289980 /nfs/dbraw/zinc/28/99/80/684289980.db2.gz PFGRHJLMXRHWBK-UHFFFAOYSA-N 2 1 352.276 2.209 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000057155893 540773713 /nfs/dbraw/zinc/77/37/13/540773713.db2.gz XVPABJDEYKOPFG-UHFFFAOYSA-N 2 1 353.510 2.285 20 30 FEEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000092820949 542888129 /nfs/dbraw/zinc/88/81/29/542888129.db2.gz OZAHKLVNLVTQDZ-NRFANRHFSA-N 2 1 369.513 2.428 20 30 FEEDMP N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134922628 544327915 /nfs/dbraw/zinc/32/79/15/544327915.db2.gz HSUNWAAHAZNAGV-SYYKKAFVSA-N 2 1 369.509 2.441 20 30 FEEDMP N#CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134922628 544327917 /nfs/dbraw/zinc/32/79/17/544327917.db2.gz HSUNWAAHAZNAGV-SYYKKAFVSA-N 2 1 369.509 2.441 20 30 FEEDMP N#CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134922628 544327919 /nfs/dbraw/zinc/32/79/19/544327919.db2.gz HSUNWAAHAZNAGV-SYYKKAFVSA-N 2 1 369.509 2.441 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000152473886 544658583 /nfs/dbraw/zinc/65/85/83/544658583.db2.gz KOKUIYJYAFEXDS-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000152473886 544658586 /nfs/dbraw/zinc/65/85/86/544658586.db2.gz KOKUIYJYAFEXDS-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000152473886 544658590 /nfs/dbraw/zinc/65/85/90/544658590.db2.gz KOKUIYJYAFEXDS-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C[N@H+]1CCCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181704561 547363347 /nfs/dbraw/zinc/36/33/47/547363347.db2.gz HBFMHLVKUUOXNG-UHFFFAOYSA-N 2 1 369.557 2.140 20 30 FEEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1 ZINC000183157985 547612639 /nfs/dbraw/zinc/61/26/39/547612639.db2.gz UMUATTJIOSXODF-INIZCTEOSA-N 2 1 364.453 2.487 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000263244093 549888690 /nfs/dbraw/zinc/88/86/90/549888690.db2.gz MDVFZMCBQHKTMS-CQSZACIVSA-N 2 1 366.893 2.390 20 30 FEEDMP COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000264137711 549983901 /nfs/dbraw/zinc/98/39/01/549983901.db2.gz VTCUNEGSLFOVMR-UHFFFAOYSA-N 2 1 367.497 2.369 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000279581750 550905366 /nfs/dbraw/zinc/90/53/66/550905366.db2.gz QOSVELLRPHPDSS-BGYRXZFFSA-N 2 1 368.525 2.410 20 30 FEEDMP C#CCNC(=O)CC[N@H+](CCCn1ccnc1)Cc1ccccc1OCC ZINC000292677570 552748531 /nfs/dbraw/zinc/74/85/31/552748531.db2.gz BORRPTZIILSMEG-UHFFFAOYSA-N 2 1 368.481 2.314 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000297202156 553263278 /nfs/dbraw/zinc/26/32/78/553263278.db2.gz CWDLTMHVMXKMFN-UHFFFAOYSA-N 2 1 356.514 2.248 20 30 FEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297523834 553304025 /nfs/dbraw/zinc/30/40/25/553304025.db2.gz NWHMFGQDNCXUDH-IHWFROFDSA-N 2 1 369.513 2.257 20 30 FEEDMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCn2cncc2C1 ZINC000329474310 553953225 /nfs/dbraw/zinc/95/32/25/553953225.db2.gz SSVDNCUVIHFMTH-BEFAXECRSA-N 2 1 354.454 2.169 20 30 FEEDMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000329781431 554004692 /nfs/dbraw/zinc/00/46/92/554004692.db2.gz NHCWJBCNCLOQHZ-AJYBTWMASA-N 2 1 374.529 2.123 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330654887 554151462 /nfs/dbraw/zinc/15/14/62/554151462.db2.gz NHEJUQJMLKVATD-CALCHBBNSA-N 2 1 366.550 2.418 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330654887 554151466 /nfs/dbraw/zinc/15/14/66/554151466.db2.gz NHEJUQJMLKVATD-CALCHBBNSA-N 2 1 366.550 2.418 20 30 FEEDMP C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367929876 556174994 /nfs/dbraw/zinc/17/49/94/556174994.db2.gz JGFZIHIZGQZEAN-KRWDZBQOSA-N 2 1 360.502 2.188 20 30 FEEDMP C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367929876 556174996 /nfs/dbraw/zinc/17/49/96/556174996.db2.gz JGFZIHIZGQZEAN-KRWDZBQOSA-N 2 1 360.502 2.188 20 30 FEEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000517129664 562076656 /nfs/dbraw/zinc/07/66/56/562076656.db2.gz INIIHLWNCALRQZ-LEWJYISDSA-N 2 1 358.530 2.085 20 30 FEEDMP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000437986892 559972614 /nfs/dbraw/zinc/97/26/14/559972614.db2.gz NSQZRUYYKONAFN-QYZOEREBSA-N 2 1 366.550 2.025 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000472289845 561023415 /nfs/dbraw/zinc/02/34/15/561023415.db2.gz AERGOEQRXCHIES-SFHVURJKSA-N 2 1 364.534 2.104 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000472289845 561023416 /nfs/dbraw/zinc/02/34/16/561023416.db2.gz AERGOEQRXCHIES-SFHVURJKSA-N 2 1 364.534 2.104 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#N)cn1 ZINC000531427241 562445600 /nfs/dbraw/zinc/44/56/00/562445600.db2.gz UWNYHGPZAXYFBJ-UHFFFAOYSA-N 2 1 369.513 2.222 20 30 FEEDMP C=CCSCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823937148 675577191 /nfs/dbraw/zinc/57/71/91/675577191.db2.gz KCYWEXWAYBGKMG-UHFFFAOYSA-N 2 1 358.515 2.340 20 30 FEEDMP C=CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000771005786 681036328 /nfs/dbraw/zinc/03/63/28/681036328.db2.gz SFCVZLRDJNZIMF-HNNXBMFYSA-N 2 1 365.547 2.229 20 30 FEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425797 688610491 /nfs/dbraw/zinc/61/04/91/688610491.db2.gz BDMPBZUKGFYAIG-JTQLQIEISA-N 2 1 358.899 2.062 20 30 FEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425797 688610495 /nfs/dbraw/zinc/61/04/95/688610495.db2.gz BDMPBZUKGFYAIG-JTQLQIEISA-N 2 1 358.899 2.062 20 30 FEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819334134 675282404 /nfs/dbraw/zinc/28/24/04/675282404.db2.gz COAVWHMYCORYJU-INIZCTEOSA-N 2 1 357.267 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819334134 675282407 /nfs/dbraw/zinc/28/24/07/675282407.db2.gz COAVWHMYCORYJU-INIZCTEOSA-N 2 1 357.267 2.340 20 30 FEEDMP N#Cc1ccc(NCC[N@@H+]2CC=CCC2)nc1NCC[NH+]1CC=CCC1 ZINC000530378215 539956833 /nfs/dbraw/zinc/95/68/33/539956833.db2.gz BMAJVZPIVIVOEJ-UHFFFAOYSA-N 2 1 352.486 2.301 20 30 FEEDMP N#Cc1ccc(NCC[NH+]2CC=CCC2)nc1NCC[N@H+]1CC=CCC1 ZINC000530378215 539956837 /nfs/dbraw/zinc/95/68/37/539956837.db2.gz BMAJVZPIVIVOEJ-UHFFFAOYSA-N 2 1 352.486 2.301 20 30 FEEDMP N#Cc1ccc(NCC[NH+]2CC=CCC2)nc1NCC[N@@H+]1CC=CCC1 ZINC000530378215 539956844 /nfs/dbraw/zinc/95/68/44/539956844.db2.gz BMAJVZPIVIVOEJ-UHFFFAOYSA-N 2 1 352.486 2.301 20 30 FEEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000104161274 543125602 /nfs/dbraw/zinc/12/56/02/543125602.db2.gz JTHIHNFTXQVRJU-UHFFFAOYSA-N 2 1 367.501 2.032 20 30 FEEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1OC ZINC000134120244 544295170 /nfs/dbraw/zinc/29/51/70/544295170.db2.gz DCBDRQHSKJEHIH-QGZVFWFLSA-N 2 1 362.518 2.129 20 30 FEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950922 327297263 /nfs/dbraw/zinc/29/72/63/327297263.db2.gz GAKRGYKYTLLLBA-QGZVFWFLSA-N 2 1 370.497 2.462 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000172150870 546238456 /nfs/dbraw/zinc/23/84/56/546238456.db2.gz VCKNWDFDYSHDAV-IEBWSBKVSA-N 2 1 366.550 2.073 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000249455830 549593252 /nfs/dbraw/zinc/59/32/52/549593252.db2.gz PMTPLFHHRGRTDD-ZWKOTPCHSA-N 2 1 364.534 2.056 20 30 FEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000249455830 549593257 /nfs/dbraw/zinc/59/32/57/549593257.db2.gz PMTPLFHHRGRTDD-ZWKOTPCHSA-N 2 1 364.534 2.056 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000249757889 549625983 /nfs/dbraw/zinc/62/59/83/549625983.db2.gz LHHKGTVHQRNXOF-DLBZAZTESA-N 2 1 372.513 2.408 20 30 FEEDMP C[NH+]=C(NCc1ccco1)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264040314 549971656 /nfs/dbraw/zinc/97/16/56/549971656.db2.gz IIMIPRPEBUMDIR-INIZCTEOSA-N 2 1 356.470 2.366 20 30 FEEDMP C[NH+]=C(NCc1ccco1)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264040314 549971658 /nfs/dbraw/zinc/97/16/58/549971658.db2.gz IIMIPRPEBUMDIR-INIZCTEOSA-N 2 1 356.470 2.366 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000264491245 549996446 /nfs/dbraw/zinc/99/64/46/549996446.db2.gz WLYXKZYFWGVBAW-KRWDZBQOSA-N 2 1 355.482 2.364 20 30 FEEDMP C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703292 554982173 /nfs/dbraw/zinc/98/21/73/554982173.db2.gz PYRIJDXNMAHCTJ-RXVVDRJESA-N 2 1 356.514 2.285 20 30 FEEDMP C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC[NH+](C2CCOCC2)CC1 ZINC000363480985 555116458 /nfs/dbraw/zinc/11/64/58/555116458.db2.gz FXNHBLIHXBPQGH-UHFFFAOYSA-N 2 1 370.497 2.462 20 30 FEEDMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]2C2CC2)c1 ZINC000424177940 559656682 /nfs/dbraw/zinc/65/66/82/559656682.db2.gz VNHYXVXBFZTGNS-GBESFXJTSA-N 2 1 356.470 2.110 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541692 560313322 /nfs/dbraw/zinc/31/33/22/560313322.db2.gz ZWQKAHBKUOWABO-LJQANCHMSA-N 2 1 372.488 2.464 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605148 560959428 /nfs/dbraw/zinc/95/94/28/560959428.db2.gz PRKUPYYMXUTGSA-MJGOQNOKSA-N 2 1 354.498 2.391 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769207 560964180 /nfs/dbraw/zinc/96/41/80/560964180.db2.gz NSPROWLZRREBCG-XSYGEPLQSA-N 2 1 366.550 2.156 20 30 FEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000469769207 560964181 /nfs/dbraw/zinc/96/41/81/560964181.db2.gz NSPROWLZRREBCG-XSYGEPLQSA-N 2 1 366.550 2.156 20 30 FEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000602709266 568018573 /nfs/dbraw/zinc/01/85/73/568018573.db2.gz JCWHBMPMHQJUNF-FXAWDEMLSA-N 2 1 357.498 2.442 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Br)s1 ZINC000303774348 673017677 /nfs/dbraw/zinc/01/76/77/673017677.db2.gz FVTXGSGXXFJLDS-LLVKDONJSA-N 2 1 359.337 2.442 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(Br)cc1 ZINC000303975642 673018934 /nfs/dbraw/zinc/01/89/34/673018934.db2.gz JGTBHKQCSFZSNG-AWEZNQCLSA-N 2 1 369.307 2.217 20 30 FEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303975525 673019257 /nfs/dbraw/zinc/01/92/57/673019257.db2.gz JDIZHDBQOONTCR-IRXDYDNUSA-N 2 1 353.555 2.048 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000304762918 673020699 /nfs/dbraw/zinc/02/06/99/673020699.db2.gz WEZZARFFMYQGJD-KRWDZBQOSA-N 3 1 367.607 2.127 20 30 FEEDMP C=CCC1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCCCC1 ZINC000625937774 676679077 /nfs/dbraw/zinc/67/90/77/676679077.db2.gz SZYVEMHZWCLDNP-GOSISDBHSA-N 2 1 351.535 2.328 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001014473714 680037497 /nfs/dbraw/zinc/03/74/97/680037497.db2.gz DVDOAGNICTUBID-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001014473714 680037501 /nfs/dbraw/zinc/03/75/01/680037501.db2.gz DVDOAGNICTUBID-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001014473714 680037507 /nfs/dbraw/zinc/03/75/07/680037507.db2.gz DVDOAGNICTUBID-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001014473714 680037510 /nfs/dbraw/zinc/03/75/10/680037510.db2.gz DVDOAGNICTUBID-ATZDWAIDSA-N 2 1 359.901 2.222 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001024447065 680290031 /nfs/dbraw/zinc/29/00/31/680290031.db2.gz PVQSYNJPSLPWNQ-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001024447065 680290035 /nfs/dbraw/zinc/29/00/35/680290035.db2.gz PVQSYNJPSLPWNQ-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001024447065 680290039 /nfs/dbraw/zinc/29/00/39/680290039.db2.gz PVQSYNJPSLPWNQ-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)CC[NH+]1C ZINC001024447065 680290045 /nfs/dbraw/zinc/29/00/45/680290045.db2.gz PVQSYNJPSLPWNQ-IIDMSEBBSA-N 2 1 360.527 2.431 20 30 FEEDMP C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995828430 680305128 /nfs/dbraw/zinc/30/51/28/680305128.db2.gz XZCGOLRXEJSXJP-MCIONIFRSA-N 2 1 358.324 2.062 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC000996603404 680336655 /nfs/dbraw/zinc/33/66/55/680336655.db2.gz LKDLEHKDFCGANL-ZWKOTPCHSA-N 2 1 360.527 2.431 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033834661 680424940 /nfs/dbraw/zinc/42/49/40/680424940.db2.gz SDHGUWGZQKHGDQ-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033834661 680424941 /nfs/dbraw/zinc/42/49/41/680424941.db2.gz SDHGUWGZQKHGDQ-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033834661 680424943 /nfs/dbraw/zinc/42/49/43/680424943.db2.gz SDHGUWGZQKHGDQ-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033834661 680424944 /nfs/dbraw/zinc/42/49/44/680424944.db2.gz SDHGUWGZQKHGDQ-RVKKMQEKSA-N 2 1 360.527 2.383 20 30 FEEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921689479 683543994 /nfs/dbraw/zinc/54/39/94/683543994.db2.gz DQDRKWRVASVMKW-UHFFFAOYSA-N 2 1 365.319 2.438 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000876873943 686285282 /nfs/dbraw/zinc/28/52/82/686285282.db2.gz VVJUHKZSQYPPIE-KRWDZBQOSA-N 2 1 351.878 2.199 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000876873943 686285287 /nfs/dbraw/zinc/28/52/87/686285287.db2.gz VVJUHKZSQYPPIE-KRWDZBQOSA-N 2 1 351.878 2.199 20 30 FEEDMP C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1Cl ZINC000884179171 687809828 /nfs/dbraw/zinc/80/98/28/687809828.db2.gz HCLJFTZKYMRQNU-XQCDLMLLSA-N 2 1 360.889 2.198 20 30 FEEDMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)c(C#N)cc2C#N)c2c1CC[NH2+]C2 ZINC001164682024 719622040 /nfs/dbraw/zinc/62/20/40/719622040.db2.gz LGNFDIKOVLKLKI-UHFFFAOYSA-N 2 1 369.860 2.150 20 30 FEEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)c(C#N)cc2C#N)c2c1CC[NH2+]C2 ZINC001164682024 719622042 /nfs/dbraw/zinc/62/20/42/719622042.db2.gz LGNFDIKOVLKLKI-UHFFFAOYSA-N 2 1 369.860 2.150 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131785127 544206752 /nfs/dbraw/zinc/20/67/52/544206752.db2.gz PCAVEAPZMFUTDJ-AZUAARDMSA-N 2 1 353.510 2.358 20 30 FEEDMP N#Cc1cccc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174239285 327314939 /nfs/dbraw/zinc/31/49/39/327314939.db2.gz PATBHSCHXGPEQZ-UHFFFAOYSA-N 2 1 356.470 2.074 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000246857356 549229603 /nfs/dbraw/zinc/22/96/03/549229603.db2.gz KOKUIYJYAFEXDS-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000246857356 549229609 /nfs/dbraw/zinc/22/96/09/549229609.db2.gz KOKUIYJYAFEXDS-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000246857356 549229614 /nfs/dbraw/zinc/22/96/14/549229614.db2.gz KOKUIYJYAFEXDS-RBUKOAKNSA-N 2 1 362.514 2.437 20 30 FEEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261955258 549773738 /nfs/dbraw/zinc/77/37/38/549773738.db2.gz IOXVSBHKDVLEMJ-GXSJLCMTSA-N 2 1 361.437 2.310 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c(OC)c1 ZINC000266642810 550022559 /nfs/dbraw/zinc/02/25/59/550022559.db2.gz UZHGNWOWFILPEC-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(OC)c1 ZINC000266642810 550022563 /nfs/dbraw/zinc/02/25/63/550022563.db2.gz UZHGNWOWFILPEC-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642810 550022564 /nfs/dbraw/zinc/02/25/64/550022564.db2.gz UZHGNWOWFILPEC-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(OC)c1 ZINC000266642810 550022568 /nfs/dbraw/zinc/02/25/68/550022568.db2.gz UZHGNWOWFILPEC-MOPGFXCFSA-N 2 1 362.514 2.437 20 30 FEEDMP C[C@H](NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000267446775 550031900 /nfs/dbraw/zinc/03/19/00/550031900.db2.gz QHDKJYRPZYUASP-AAEUAGOBSA-N 2 1 358.317 2.205 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000277402011 550666007 /nfs/dbraw/zinc/66/60/07/550666007.db2.gz FOVNMEJUCCKAER-HXUWFJFHSA-N 2 1 371.550 2.065 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277402011 550666009 /nfs/dbraw/zinc/66/60/09/550666009.db2.gz FOVNMEJUCCKAER-HXUWFJFHSA-N 2 1 371.550 2.065 20 30 FEEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000304757419 553747658 /nfs/dbraw/zinc/74/76/58/553747658.db2.gz OVPITPQJGBGKJG-HKUYNNGSSA-N 2 1 362.518 2.409 20 30 FEEDMP C[C@@H]1C[N@H+](CC2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)C[C@H](C)O1 ZINC000328737539 553814670 /nfs/dbraw/zinc/81/46/70/553814670.db2.gz HBZBFGSVEJROEK-GQIGUUNPSA-N 2 1 362.518 2.456 20 30 FEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)C[C@H](C)O1 ZINC000328737539 553814672 /nfs/dbraw/zinc/81/46/72/553814672.db2.gz HBZBFGSVEJROEK-GQIGUUNPSA-N 2 1 362.518 2.456 20 30 FEEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330193740 554082278 /nfs/dbraw/zinc/08/22/78/554082278.db2.gz OJKDLUMEDTVYQD-VQIMIIECSA-N 2 1 366.550 2.084 20 30 FEEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1c[nH]c(C#N)c1 ZINC000367766501 556133275 /nfs/dbraw/zinc/13/32/75/556133275.db2.gz BBJORQXHJXMNHH-UHFFFAOYSA-N 2 1 357.502 2.155 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000368417478 556302563 /nfs/dbraw/zinc/30/25/63/556302563.db2.gz SHMGIPAJOXIXEV-UXPWSPDFSA-N 2 1 370.497 2.366 20 30 FEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420979332 559516592 /nfs/dbraw/zinc/51/65/92/559516592.db2.gz KKMYAWGHRULHAF-LJQANCHMSA-N 2 1 364.578 2.292 20 30 FEEDMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440817183 560018915 /nfs/dbraw/zinc/01/89/15/560018915.db2.gz PBLSLGFZTUTCDZ-NRFANRHFSA-N 2 1 351.450 2.293 20 30 FEEDMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440817183 560018916 /nfs/dbraw/zinc/01/89/16/560018916.db2.gz PBLSLGFZTUTCDZ-NRFANRHFSA-N 2 1 351.450 2.293 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000303899139 673018438 /nfs/dbraw/zinc/01/84/38/673018438.db2.gz VZOKCUDALREWJH-INIZCTEOSA-N 2 1 365.909 2.447 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000303906359 673018887 /nfs/dbraw/zinc/01/88/87/673018887.db2.gz ZXJGRDKBFHWBPL-IAGOWNOFSA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303906359 673018892 /nfs/dbraw/zinc/01/88/92/673018892.db2.gz ZXJGRDKBFHWBPL-IAGOWNOFSA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303906359 673018901 /nfs/dbraw/zinc/01/89/01/673018901.db2.gz ZXJGRDKBFHWBPL-IAGOWNOFSA-N 3 1 363.575 2.349 20 30 FEEDMP CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751529317 680185202 /nfs/dbraw/zinc/18/52/02/680185202.db2.gz QGBLTIQFSLLKIP-UHFFFAOYSA-N 2 1 358.515 2.321 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001029742524 680391357 /nfs/dbraw/zinc/39/13/57/680391357.db2.gz VTTDGKAAFWDYOR-RVKKMQEKSA-N 2 1 360.527 2.240 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001029742524 680391361 /nfs/dbraw/zinc/39/13/61/680391361.db2.gz VTTDGKAAFWDYOR-RVKKMQEKSA-N 2 1 360.527 2.240 20 30 FEEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001029742524 680391367 /nfs/dbraw/zinc/39/13/67/680391367.db2.gz VTTDGKAAFWDYOR-RVKKMQEKSA-N 2 1 360.527 2.240 20 30 FEEDMP C=C(Br)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985441408 680448501 /nfs/dbraw/zinc/44/85/01/680448501.db2.gz GMHQZQMNTPIDSP-UKRRQHHQSA-N 2 1 358.324 2.158 20 30 FEEDMP C=C(Br)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985441408 680448502 /nfs/dbraw/zinc/44/85/02/680448502.db2.gz GMHQZQMNTPIDSP-UKRRQHHQSA-N 2 1 358.324 2.158 20 30 FEEDMP C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985441408 680448505 /nfs/dbraw/zinc/44/85/05/680448505.db2.gz GMHQZQMNTPIDSP-UKRRQHHQSA-N 2 1 358.324 2.158 20 30 FEEDMP C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985441408 680448507 /nfs/dbraw/zinc/44/85/07/680448507.db2.gz GMHQZQMNTPIDSP-UKRRQHHQSA-N 2 1 358.324 2.158 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876781417 686267533 /nfs/dbraw/zinc/26/75/33/686267533.db2.gz LAAWVJDSRCWVSK-KSZLIROESA-N 2 1 365.905 2.252 20 30 FEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876781417 686267536 /nfs/dbraw/zinc/26/75/36/686267536.db2.gz LAAWVJDSRCWVSK-KSZLIROESA-N 2 1 365.905 2.252 20 30 FEEDMP Cc1ccc(CC#N)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]1 ZINC001165004265 722256661 /nfs/dbraw/zinc/25/66/61/722256661.db2.gz OXAKEOWECWVOQK-UHFFFAOYSA-N 2 1 368.485 2.141 20 30 FEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000123993832 543795184 /nfs/dbraw/zinc/79/51/84/543795184.db2.gz DRQUQCVOHQTGQF-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000123993832 543795185 /nfs/dbraw/zinc/79/51/85/543795185.db2.gz DRQUQCVOHQTGQF-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000123993832 543795187 /nfs/dbraw/zinc/79/51/87/543795187.db2.gz DRQUQCVOHQTGQF-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000123993832 543795188 /nfs/dbraw/zinc/79/51/88/543795188.db2.gz DRQUQCVOHQTGQF-FQEVSTJZSA-N 2 1 354.498 2.467 20 30 FEEDMP N#Cc1ccc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000174238980 327314677 /nfs/dbraw/zinc/31/46/77/327314677.db2.gz GNKVPQINHPJZEW-UHFFFAOYSA-N 2 1 356.470 2.074 20 30 FEEDMP COCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180129257 547056988 /nfs/dbraw/zinc/05/69/88/547056988.db2.gz PNGDDIXQTGTRME-UHFFFAOYSA-N 2 1 353.470 2.159 20 30 FEEDMP CCOCCOCc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264124044 549982218 /nfs/dbraw/zinc/98/22/18/549982218.db2.gz VXYNCZBALQXQIO-IBGZPJMESA-N 2 1 362.518 2.128 20 30 FEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000264985512 550004022 /nfs/dbraw/zinc/00/40/22/550004022.db2.gz VQFFZHSZKMWIDQ-HXUWFJFHSA-N 2 1 357.498 2.121 20 30 FEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000264985512 550004025 /nfs/dbraw/zinc/00/40/25/550004025.db2.gz VQFFZHSZKMWIDQ-HXUWFJFHSA-N 2 1 357.498 2.121 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272793757 550471119 /nfs/dbraw/zinc/47/11/19/550471119.db2.gz ABMUAAUJZAWETO-SLFFLAALSA-N 2 1 362.539 2.478 20 30 FEEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272793757 550471121 /nfs/dbraw/zinc/47/11/21/550471121.db2.gz ABMUAAUJZAWETO-SLFFLAALSA-N 2 1 362.539 2.478 20 30 FEEDMP CCn1ccnc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000298549575 553439131 /nfs/dbraw/zinc/43/91/31/553439131.db2.gz XXIOMUQBQJMKCG-UHFFFAOYSA-N 2 1 366.469 2.192 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603123314 553713044 /nfs/dbraw/zinc/71/30/44/553713044.db2.gz VHEATYNNCXPMGS-QGZVFWFLSA-N 2 1 358.490 2.142 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CC[NH+](C)[C@@H](C)C3)n2)CC[N@H+]1C ZINC000333047619 554564507 /nfs/dbraw/zinc/56/45/07/554564507.db2.gz KSALMUADTRWUDU-ATLSCFEFSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000333047619 554564508 /nfs/dbraw/zinc/56/45/08/554564508.db2.gz KSALMUADTRWUDU-ATLSCFEFSA-N 2 1 356.518 2.742 20 30 FEEDMP C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000333047619 554564509 /nfs/dbraw/zinc/56/45/09/554564509.db2.gz KSALMUADTRWUDU-ATLSCFEFSA-N 2 1 356.518 2.742 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368243848 556257224 /nfs/dbraw/zinc/25/72/24/556257224.db2.gz QTLXUAXIPXZROV-ONTIZHBOSA-N 2 1 368.525 2.495 20 30 FEEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368417935 556302971 /nfs/dbraw/zinc/30/29/71/556302971.db2.gz VFYAHFORLTUCHT-NZSAHSFTSA-N 2 1 373.497 2.425 20 30 FEEDMP C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519235130 562127756 /nfs/dbraw/zinc/12/77/56/562127756.db2.gz YLIQVPNHVPVVII-MISYRCLQSA-N 2 1 366.509 2.391 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377717124 558404302 /nfs/dbraw/zinc/40/43/02/558404302.db2.gz DLAOYMCBJBCOMD-HOJAQTOUSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377717124 558404303 /nfs/dbraw/zinc/40/43/03/558404303.db2.gz DLAOYMCBJBCOMD-HOJAQTOUSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377717124 558404305 /nfs/dbraw/zinc/40/43/05/558404305.db2.gz DLAOYMCBJBCOMD-HOJAQTOUSA-N 2 1 354.498 2.201 20 30 FEEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377717124 558404308 /nfs/dbraw/zinc/40/43/08/558404308.db2.gz DLAOYMCBJBCOMD-HOJAQTOUSA-N 2 1 354.498 2.201 20 30 FEEDMP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000459453927 560687344 /nfs/dbraw/zinc/68/73/44/560687344.db2.gz DHAGMKOXWNQRAL-AEFFLSMTSA-N 2 1 360.889 2.266 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282558 561023074 /nfs/dbraw/zinc/02/30/74/561023074.db2.gz FTSARYSNAMXOCB-AEFFLSMTSA-N 2 1 358.486 2.318 20 30 FEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000472282558 561023075 /nfs/dbraw/zinc/02/30/75/561023075.db2.gz FTSARYSNAMXOCB-AEFFLSMTSA-N 2 1 358.486 2.318 20 30 FEEDMP C[NH+]=C(NCc1csc(Br)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262691906 672919286 /nfs/dbraw/zinc/91/92/86/672919286.db2.gz ADMRHZYCJDBYTG-NSHDSACASA-N 2 1 357.321 2.412 20 30 FEEDMP C[NH+]=C(NCc1csc(Br)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262691906 672919290 /nfs/dbraw/zinc/91/92/90/672919290.db2.gz ADMRHZYCJDBYTG-NSHDSACASA-N 2 1 357.321 2.412 20 30 FEEDMP CC[NH+]=C(NC[C@@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262764759 672920398 /nfs/dbraw/zinc/92/03/98/672920398.db2.gz FRAJAJQHLXCTCK-XVLXNVKGSA-N 2 1 350.551 2.498 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)cc(Br)c1 ZINC000303904466 673019109 /nfs/dbraw/zinc/01/91/09/673019109.db2.gz YTZOYXXZXAYDAY-CQSZACIVSA-N 2 1 357.271 2.477 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759563 680072528 /nfs/dbraw/zinc/07/25/28/680072528.db2.gz CZPZSRWGSGIYKN-PNBKFKSVSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759563 680072533 /nfs/dbraw/zinc/07/25/33/680072533.db2.gz CZPZSRWGSGIYKN-PNBKFKSVSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759563 680072537 /nfs/dbraw/zinc/07/25/37/680072537.db2.gz CZPZSRWGSGIYKN-PNBKFKSVSA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990759563 680072540 /nfs/dbraw/zinc/07/25/40/680072540.db2.gz CZPZSRWGSGIYKN-PNBKFKSVSA-N 2 1 370.335 2.348 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000836488144 680475770 /nfs/dbraw/zinc/47/57/70/680475770.db2.gz HGJAFIJRINVNQT-QGZVFWFLSA-N 2 1 350.894 2.197 20 30 FEEDMP C[NH+](C)Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1Br ZINC000852886072 682353439 /nfs/dbraw/zinc/35/34/39/682353439.db2.gz GPGYYMGBSIUKRN-UHFFFAOYSA-N 2 1 364.287 2.452 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000924989934 684513904 /nfs/dbraw/zinc/51/39/04/684513904.db2.gz VYHSBJIOXYVRLY-KRWDZBQOSA-N 2 1 353.507 2.252 20 30 FEEDMP C#CCSCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000896873723 689942135 /nfs/dbraw/zinc/94/21/35/689942135.db2.gz MHNRRDRFXNHYRV-UHFFFAOYSA-N 2 1 351.560 2.008 20 30 FEEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C#N)CC1 ZINC000057877459 540821160 /nfs/dbraw/zinc/82/11/60/540821160.db2.gz XEQSHYWCPFMJNP-QGZVFWFLSA-N 2 1 354.498 2.391 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000139060933 544399473 /nfs/dbraw/zinc/39/94/73/544399473.db2.gz YMKVWMNXGHXWNQ-UHFFFAOYSA-N 2 1 357.502 2.262 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000173793993 327284656 /nfs/dbraw/zinc/28/46/56/327284656.db2.gz OZNKSMROTICFMI-LJQANCHMSA-N 2 1 357.502 2.116 20 30 FEEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000157388530 545736217 /nfs/dbraw/zinc/73/62/17/545736217.db2.gz AZDJMVPGIQFFCF-QGZVFWFLSA-N 2 1 362.518 2.476 20 30 FEEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000182907735 547570606 /nfs/dbraw/zinc/57/06/06/547570606.db2.gz YQYHDBUTBHIUEI-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000182907735 547570612 /nfs/dbraw/zinc/57/06/12/547570612.db2.gz YQYHDBUTBHIUEI-FQEVSTJZSA-N 2 1 356.514 2.429 20 30 FEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N(C)C[C@H]1CCOC1 ZINC000261703181 549745248 /nfs/dbraw/zinc/74/52/48/549745248.db2.gz UHOZBNFUTILFRF-MRXNPFEDSA-N 2 1 359.449 2.364 20 30 FEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N(C)C[C@@H]1CCOC1 ZINC000261703177 549745301 /nfs/dbraw/zinc/74/53/01/549745301.db2.gz UHOZBNFUTILFRF-INIZCTEOSA-N 2 1 359.449 2.364 20 30 FEEDMP CCc1cccc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000264064763 549974708 /nfs/dbraw/zinc/97/47/08/549974708.db2.gz ARRONMZUYHMVFB-UHFFFAOYSA-N 2 1 352.486 2.323 20 30 FEEDMP CCNC(NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)=[NH+]CC ZINC000264157995 549986262 /nfs/dbraw/zinc/98/62/62/549986262.db2.gz ARBCGALJWVYVRB-UHFFFAOYSA-N 2 1 362.518 2.251 20 30 FEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)C(C)C ZINC000264918126 550003389 /nfs/dbraw/zinc/00/33/89/550003389.db2.gz PCITYZCRTKXJDV-IBGZPJMESA-N 2 1 351.535 2.304 20 30 FEEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000369198182 556533532 /nfs/dbraw/zinc/53/35/32/556533532.db2.gz NBZBJLVFKNAILV-UHFFFAOYSA-N 2 1 369.557 2.486 20 30 FEEDMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000516856938 562060784 /nfs/dbraw/zinc/06/07/84/562060784.db2.gz IMBUGGINHLXDAP-XLIONFOSSA-N 2 1 369.513 2.164 20 30 FEEDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695706 556942618 /nfs/dbraw/zinc/94/26/18/556942618.db2.gz CKRJLLVLAFXEOZ-UGKGYDQZSA-N 2 1 369.557 2.494 20 30 FEEDMP Cc1nc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000371089919 557072118 /nfs/dbraw/zinc/07/21/18/557072118.db2.gz RCOWNPCVMJMFKL-UHFFFAOYSA-N 2 1 369.513 2.188 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000521583233 562179312 /nfs/dbraw/zinc/17/93/12/562179312.db2.gz YQJSSBXJWQPETE-LJQANCHMSA-N 2 1 366.550 2.073 20 30 FEEDMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000378014282 558463305 /nfs/dbraw/zinc/46/33/05/558463305.db2.gz XIPMSZIGGUUQQN-UHFFFAOYSA-N 2 1 358.515 2.093 20 30 FEEDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000378014282 558463306 /nfs/dbraw/zinc/46/33/06/558463306.db2.gz XIPMSZIGGUUQQN-UHFFFAOYSA-N 2 1 358.515 2.093 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000441250367 560027168 /nfs/dbraw/zinc/02/71/68/560027168.db2.gz QIQXFDWTIHSMKZ-GUDVDZBRSA-N 2 1 356.470 2.070 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442732438 560055502 /nfs/dbraw/zinc/05/55/02/560055502.db2.gz YJPXKBIOQGALJG-CTWPCTMYSA-N 2 1 363.550 2.374 20 30 FEEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231758 /nfs/dbraw/zinc/23/17/58/560231758.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 1 354.498 2.324 20 30 FEEDMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231759 /nfs/dbraw/zinc/23/17/59/560231759.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 1 354.498 2.324 20 30 FEEDMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231760 /nfs/dbraw/zinc/23/17/60/560231760.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 1 354.498 2.324 20 30 FEEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424272 562328556 /nfs/dbraw/zinc/32/85/56/562328556.db2.gz LMOZKXPQZOUHCH-MISYRCLQSA-N 2 1 355.482 2.247 20 30 FEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602557806 567991357 /nfs/dbraw/zinc/99/13/57/567991357.db2.gz JGANRLKZLFIOJJ-WIYYLYMNSA-N 2 1 357.498 2.312 20 30 FEEDMP C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CCC[N@H+]1Cc1ccccc1 ZINC000814845199 674883581 /nfs/dbraw/zinc/88/35/81/674883581.db2.gz HNAWAPTUJBWMBZ-INIZCTEOSA-N 2 1 361.559 2.443 20 30 FEEDMP C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1 ZINC000814845199 674883584 /nfs/dbraw/zinc/88/35/84/674883584.db2.gz HNAWAPTUJBWMBZ-INIZCTEOSA-N 2 1 361.559 2.443 20 30 FEEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000176967038 672378277 /nfs/dbraw/zinc/37/82/77/672378277.db2.gz LBTOUNOHXOYWSX-CYBMUJFWSA-N 2 1 356.392 2.474 20 30 FEEDMP Cc1cc(C(F)(F)F)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000191732582 672674359 /nfs/dbraw/zinc/67/43/59/672674359.db2.gz KYGHSXQZRDUABS-UHFFFAOYSA-N 2 1 358.408 2.140 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000261678176 672901303 /nfs/dbraw/zinc/90/13/03/672901303.db2.gz BRZQPFPKQPPDMP-YQQAZPJKSA-N 2 1 350.532 2.333 20 30 FEEDMP [NH2+]=C(NCCc1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000303786523 673017706 /nfs/dbraw/zinc/01/77/06/673017706.db2.gz RMTSLTCVQRVDTE-UHFFFAOYSA-N 2 1 358.511 2.227 20 30 FEEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303979228 673019587 /nfs/dbraw/zinc/01/95/87/673019587.db2.gz MXUCMFWXFQRBGJ-CYBMUJFWSA-N 2 1 360.380 2.423 20 30 FEEDMP C[NH+]1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2Cl)CC1 ZINC000852872357 682352194 /nfs/dbraw/zinc/35/21/94/682352194.db2.gz FCQHICCNDKINEJ-UHFFFAOYSA-N 2 1 360.889 2.033 20 30 FEEDMP CC[N@@H+](CCC(=O)N(C)CCC#N)CC1CCN(c2ccccn2)CC1 ZINC000131740401 544204818 /nfs/dbraw/zinc/20/48/18/544204818.db2.gz YZXDNZBGSHXDMN-UHFFFAOYSA-N 2 1 357.502 2.382 20 30 FEEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000268170403 329392977 /nfs/dbraw/zinc/39/29/77/329392977.db2.gz QMKZAXZEYAZGLK-OXQOHEQNSA-N 2 1 369.513 2.114 20 30 FEEDMP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000483233546 561271358 /nfs/dbraw/zinc/27/13/58/561271358.db2.gz UFOYINMKWFMLNA-UHFFFAOYSA-N 2 1 368.437 2.171 20 30 FEEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262467605 549822409 /nfs/dbraw/zinc/82/24/09/549822409.db2.gz TXVKRZZZLZUAAM-AHCXZYCDSA-N 2 1 360.502 2.395 20 30 FEEDMP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000279165016 550860576 /nfs/dbraw/zinc/86/05/76/550860576.db2.gz IOASQBVXXPATJE-PXNSSMCTSA-N 2 1 354.498 2.323 20 30 FEEDMP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000279165016 550860577 /nfs/dbraw/zinc/86/05/77/550860577.db2.gz IOASQBVXXPATJE-PXNSSMCTSA-N 2 1 354.498 2.323 20 30 FEEDMP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000279165016 550860578 /nfs/dbraw/zinc/86/05/78/550860578.db2.gz IOASQBVXXPATJE-PXNSSMCTSA-N 2 1 354.498 2.323 20 30 FEEDMP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000279165016 550860579 /nfs/dbraw/zinc/86/05/79/550860579.db2.gz IOASQBVXXPATJE-PXNSSMCTSA-N 2 1 354.498 2.323 20 30 FEEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000329892508 554025605 /nfs/dbraw/zinc/02/56/05/554025605.db2.gz AASGGCWAKRABOL-MJGOQNOKSA-N 2 1 374.529 2.124 20 30 FEEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236019 555060518 /nfs/dbraw/zinc/06/05/18/555060518.db2.gz IYQMEYVEJXOKOI-ATZDWAIDSA-N 2 1 353.470 2.185 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236019 555060519 /nfs/dbraw/zinc/06/05/19/555060519.db2.gz IYQMEYVEJXOKOI-ATZDWAIDSA-N 2 1 353.470 2.185 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299070 557136311 /nfs/dbraw/zinc/13/63/11/557136311.db2.gz CKGFFJXJLUFBBT-OAGGEKHMSA-N 2 1 362.499 2.132 20 30 FEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(=O)Nc1sccc1C#N ZINC000371299070 557136312 /nfs/dbraw/zinc/13/63/12/557136312.db2.gz CKGFFJXJLUFBBT-OAGGEKHMSA-N 2 1 362.499 2.132 20 30 FEEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)sc2C1 ZINC000609144214 675912195 /nfs/dbraw/zinc/91/21/95/675912195.db2.gz BMJGPRULJNAGQP-MGPQQGTHSA-N 2 1 358.511 2.224 20 30 FEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C[NH+]1CCOCC1 ZINC000160723459 672293285 /nfs/dbraw/zinc/29/32/85/672293285.db2.gz YKJWXPJRQOGEOX-LBPRGKRZSA-N 2 1 360.380 2.280 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261996538 672907317 /nfs/dbraw/zinc/90/73/17/672907317.db2.gz SPLHIPZVZJBSHC-ATLSCFEFSA-N 2 1 350.551 2.475 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378944 680258239 /nfs/dbraw/zinc/25/82/39/680258239.db2.gz FZRHVTYNFGDLNR-RBSFLKMASA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378944 680258241 /nfs/dbraw/zinc/25/82/41/680258241.db2.gz FZRHVTYNFGDLNR-RBSFLKMASA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023378944 680258245 /nfs/dbraw/zinc/25/82/45/680258245.db2.gz FZRHVTYNFGDLNR-RBSFLKMASA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023378944 680258248 /nfs/dbraw/zinc/25/82/48/680258248.db2.gz FZRHVTYNFGDLNR-RBSFLKMASA-N 2 1 358.324 2.063 20 30 FEEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000998794296 680389734 /nfs/dbraw/zinc/38/97/34/680389734.db2.gz OXOOBPHTTLZTBU-PFSRBDOWSA-N 2 1 358.324 2.204 20 30 FEEDMP Cc1csc(CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912499622 685386773 /nfs/dbraw/zinc/38/67/73/685386773.db2.gz VZSBHKKKJFLHAQ-UHFFFAOYSA-N 2 1 353.536 2.008 20 30 FEEDMP CC(=NNC(=S)NCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779777957 681752271 /nfs/dbraw/zinc/75/22/71/681752271.db2.gz XLIVXWUELQDCMJ-GOSISDBHSA-N 2 1 361.559 2.300 20 30 FEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710231 687077194 /nfs/dbraw/zinc/07/71/94/687077194.db2.gz LMLIKDOYMYKGGK-LBPRGKRZSA-N 2 1 353.417 2.230 20 30 FEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710231 687077197 /nfs/dbraw/zinc/07/71/97/687077197.db2.gz LMLIKDOYMYKGGK-LBPRGKRZSA-N 2 1 353.417 2.230 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067361160 541449442 /nfs/dbraw/zinc/44/94/42/541449442.db2.gz CAUOKNLCTOUQBS-HXUWFJFHSA-N 2 1 353.510 2.360 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC#Cc1ccccc1 ZINC000073571511 541968833 /nfs/dbraw/zinc/96/88/33/541968833.db2.gz ZJKUIFCEDZZZEL-HXUWFJFHSA-N 2 1 356.514 2.096 20 30 FEEDMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[N@@H+](C)C1CC1 ZINC000105267619 543167180 /nfs/dbraw/zinc/16/71/80/543167180.db2.gz ZIKVDFLVVJWCGT-MRXNPFEDSA-N 2 1 357.502 2.114 20 30 FEEDMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C1CC1 ZINC000105266108 543167404 /nfs/dbraw/zinc/16/74/04/543167404.db2.gz ZMBMRJXHLYRCFH-KRWDZBQOSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1 ZINC000105266108 543167407 /nfs/dbraw/zinc/16/74/07/543167407.db2.gz ZMBMRJXHLYRCFH-KRWDZBQOSA-N 2 1 369.513 2.258 20 30 FEEDMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1 ZINC000105266108 543167411 /nfs/dbraw/zinc/16/74/11/543167411.db2.gz ZMBMRJXHLYRCFH-KRWDZBQOSA-N 2 1 369.513 2.258 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124467488 543823576 /nfs/dbraw/zinc/82/35/76/543823576.db2.gz VMCGXOOGSQPKNF-XLIONFOSSA-N 2 1 356.514 2.457 20 30 FEEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCn4cncc4C3)CC2)cc1 ZINC000130572507 544156434 /nfs/dbraw/zinc/15/64/34/544156434.db2.gz DEILIYILGFNRTE-IBGZPJMESA-N 2 1 363.465 2.052 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000171714606 546220130 /nfs/dbraw/zinc/22/01/30/546220130.db2.gz LCCXFHMRWGWVDI-UHFFFAOYSA-N 2 1 374.504 2.348 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000172185614 546240179 /nfs/dbraw/zinc/24/01/79/546240179.db2.gz BQHRZZPTDXAIGO-PXNSSMCTSA-N 2 1 371.529 2.242 20 30 FEEDMP C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261937888 549771926 /nfs/dbraw/zinc/77/19/26/549771926.db2.gz CXTMPBOQQRLEOP-KSSFIOAISA-N 2 1 352.486 2.224 20 30 FEEDMP C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@@H+](C)C1 ZINC000261950787 549773808 /nfs/dbraw/zinc/77/38/08/549773808.db2.gz NYNCDFHPBUXHTD-IAQYHMDHSA-N 2 1 359.301 2.144 20 30 FEEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261965020 549774330 /nfs/dbraw/zinc/77/43/30/549774330.db2.gz LETLMJQWLWXMMB-WMZOPIPTSA-N 2 1 373.545 2.090 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000264383980 549995204 /nfs/dbraw/zinc/99/52/04/549995204.db2.gz VIPZVKDDKNLGKB-UHFFFAOYSA-N 2 1 362.543 2.268 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000264418423 549995995 /nfs/dbraw/zinc/99/59/95/549995995.db2.gz VZFHPEPIXQWDMM-UHFFFAOYSA-N 2 1 368.485 2.415 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000494104298 561462603 /nfs/dbraw/zinc/46/26/03/561462603.db2.gz BYTIGAYQXHHJER-FQEVSTJZSA-N 2 1 356.514 2.205 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000494104298 561462604 /nfs/dbraw/zinc/46/26/04/561462604.db2.gz BYTIGAYQXHHJER-FQEVSTJZSA-N 2 1 356.514 2.205 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272300377 550435685 /nfs/dbraw/zinc/43/56/85/550435685.db2.gz POOYRJOBGWFPSW-GHTZIAJQSA-N 2 1 353.510 2.358 20 30 FEEDMP Cn1cc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1C#N ZINC000276791475 550596443 /nfs/dbraw/zinc/59/64/43/550596443.db2.gz SUXZRNKEKGAAQO-UHFFFAOYSA-N 2 1 367.497 2.159 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000296948883 553233771 /nfs/dbraw/zinc/23/37/71/553233771.db2.gz QBMNVKQALSDCMU-HXUWFJFHSA-N 2 1 356.514 2.105 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000296948883 553233773 /nfs/dbraw/zinc/23/37/73/553233773.db2.gz QBMNVKQALSDCMU-HXUWFJFHSA-N 2 1 356.514 2.105 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000296948883 553233775 /nfs/dbraw/zinc/23/37/75/553233775.db2.gz QBMNVKQALSDCMU-HXUWFJFHSA-N 2 1 356.514 2.105 20 30 FEEDMP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1=O ZINC000329200689 553901041 /nfs/dbraw/zinc/90/10/41/553901041.db2.gz WJFBPCDLNGUUES-MSOLQXFVSA-N 2 1 362.518 2.045 20 30 FEEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329218397 553905026 /nfs/dbraw/zinc/90/50/26/553905026.db2.gz RRZDBGRYLUJIQM-CSNJMZFVSA-N 2 1 364.534 2.291 20 30 FEEDMP C[C@@H]1CCCC[NH+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329218397 553905027 /nfs/dbraw/zinc/90/50/27/553905027.db2.gz RRZDBGRYLUJIQM-CSNJMZFVSA-N 2 1 364.534 2.291 20 30 FEEDMP C[C@@H]1CCCC[NH+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329218397 553905028 /nfs/dbraw/zinc/90/50/28/553905028.db2.gz RRZDBGRYLUJIQM-CSNJMZFVSA-N 2 1 364.534 2.291 20 30 FEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330654888 554151537 /nfs/dbraw/zinc/15/15/37/554151537.db2.gz NHEJUQJMLKVATD-IRXDYDNUSA-N 2 1 366.550 2.418 20 30 FEEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236020 555060849 /nfs/dbraw/zinc/06/08/49/555060849.db2.gz IYQMEYVEJXOKOI-AYOQOUSVSA-N 2 1 353.470 2.185 20 30 FEEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000363236020 555060850 /nfs/dbraw/zinc/06/08/50/555060850.db2.gz IYQMEYVEJXOKOI-AYOQOUSVSA-N 2 1 353.470 2.185 20 30 FEEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365886978 555692898 /nfs/dbraw/zinc/69/28/98/555692898.db2.gz SFIDMLDUHLTVQI-SFHVURJKSA-N 2 1 351.454 2.223 20 30 FEEDMP C[NH+]1CCCC12CCN(CC#CCN1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000367463019 556057110 /nfs/dbraw/zinc/05/71/10/556057110.db2.gz JLOVIDGKPWWWBI-UHFFFAOYSA-N 2 1 358.574 2.110 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000519292815 562128706 /nfs/dbraw/zinc/12/87/06/562128706.db2.gz JCNAQJXFZHVFRX-GOSISDBHSA-N 2 1 360.502 2.248 20 30 FEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420979327 559516380 /nfs/dbraw/zinc/51/63/80/559516380.db2.gz KKMYAWGHRULHAF-IBGZPJMESA-N 2 1 364.578 2.292 20 30 FEEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000421016800 559519621 /nfs/dbraw/zinc/51/96/21/559519621.db2.gz VCSDCWHYCUHVLH-UHFFFAOYSA-N 2 1 356.514 2.429 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422211520 559571721 /nfs/dbraw/zinc/57/17/21/559571721.db2.gz DBGNZZSNRXOJOK-HNNXBMFYSA-N 2 1 363.531 2.177 20 30 FEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000451669419 560321030 /nfs/dbraw/zinc/32/10/30/560321030.db2.gz ASLSVOAZRPWYBU-RTWAWAEBSA-N 2 1 371.525 2.353 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000550008523 562641922 /nfs/dbraw/zinc/64/19/22/562641922.db2.gz BPJGWIVRSJZBNL-LJQANCHMSA-N 2 1 371.529 2.112 20 30 FEEDMP C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083093935 670654177 /nfs/dbraw/zinc/65/41/77/670654177.db2.gz QWKDLCVKYHNWET-ZDUSSCGKSA-N 2 1 364.877 2.013 20 30 FEEDMP C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083093935 670654180 /nfs/dbraw/zinc/65/41/80/670654180.db2.gz QWKDLCVKYHNWET-ZDUSSCGKSA-N 2 1 364.877 2.013 20 30 FEEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(O)CC1 ZINC000086834396 670684537 /nfs/dbraw/zinc/68/45/37/670684537.db2.gz NBIMHNOFTBUTJG-SFHVURJKSA-N 2 1 350.551 2.453 20 30 FEEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000261984854 672907106 /nfs/dbraw/zinc/90/71/06/672907106.db2.gz JMTIMFLKEMZTTO-HNNXBMFYSA-N 2 1 361.921 2.261 20 30 FEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Br)s1 ZINC000303774351 673017583 /nfs/dbraw/zinc/01/75/83/673017583.db2.gz FVTXGSGXXFJLDS-NSHDSACASA-N 2 1 359.337 2.442 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000303906356 673019027 /nfs/dbraw/zinc/01/90/27/673019027.db2.gz ZXJGRDKBFHWBPL-DLBZAZTESA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303906356 673019030 /nfs/dbraw/zinc/01/90/30/673019030.db2.gz ZXJGRDKBFHWBPL-DLBZAZTESA-N 3 1 363.575 2.349 20 30 FEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303906356 673019035 /nfs/dbraw/zinc/01/90/35/673019035.db2.gz ZXJGRDKBFHWBPL-DLBZAZTESA-N 3 1 363.575 2.349 20 30 FEEDMP N#Cc1c(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sc2c1CCCCC2 ZINC000603867339 675801758 /nfs/dbraw/zinc/80/17/58/675801758.db2.gz MYBUEYCRNWPIHC-OKILXGFUSA-N 2 1 358.511 2.368 20 30 FEEDMP N#Cc1c(NC(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)sc2c1CCCCC2 ZINC000603867339 675801761 /nfs/dbraw/zinc/80/17/61/675801761.db2.gz MYBUEYCRNWPIHC-OKILXGFUSA-N 2 1 358.511 2.368 20 30 FEEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001034941480 680441299 /nfs/dbraw/zinc/44/12/99/680441299.db2.gz QZGCFQQLCJKMJL-FHLIZLRMSA-N 2 1 360.527 2.431 20 30 FEEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376670 680459848 /nfs/dbraw/zinc/45/98/48/680459848.db2.gz INTGIFBTYDIANM-ZWKOTPCHSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376670 680459850 /nfs/dbraw/zinc/45/98/50/680459850.db2.gz INTGIFBTYDIANM-ZWKOTPCHSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376670 680459853 /nfs/dbraw/zinc/45/98/53/680459853.db2.gz INTGIFBTYDIANM-ZWKOTPCHSA-N 2 1 362.905 2.340 20 30 FEEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000836376670 680459856 /nfs/dbraw/zinc/45/98/56/680459856.db2.gz INTGIFBTYDIANM-ZWKOTPCHSA-N 2 1 362.905 2.340 20 30 FEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1 ZINC000931441125 684283512 /nfs/dbraw/zinc/28/35/12/684283512.db2.gz OFMZKHDBHOIHBN-KGLIPLIRSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1 ZINC000931441125 684283515 /nfs/dbraw/zinc/28/35/15/684283515.db2.gz OFMZKHDBHOIHBN-KGLIPLIRSA-N 2 1 358.511 2.321 20 30 FEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1 ZINC000931441125 684283518 /nfs/dbraw/zinc/28/35/18/684283518.db2.gz OFMZKHDBHOIHBN-KGLIPLIRSA-N 2 1 358.511 2.321 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076389798 542272331 /nfs/dbraw/zinc/27/23/31/542272331.db2.gz JEKFFQYYXLCNQA-LJQANCHMSA-N 2 1 353.510 2.455 20 30 FEEDMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000129864652 544129914 /nfs/dbraw/zinc/12/99/14/544129914.db2.gz UIDFPNKIGVIRDB-VQIMIIECSA-N 2 1 369.513 2.257 20 30 FEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000153046843 544727353 /nfs/dbraw/zinc/72/73/53/544727353.db2.gz NAUBFGDNDJAAHK-HNNXBMFYSA-N 2 1 351.516 2.286 20 30 FEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000156031150 545593537 /nfs/dbraw/zinc/59/35/37/545593537.db2.gz DKICVMALNOAQIW-FVJLSDCUSA-N 2 1 357.498 2.413 20 30 FEEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158868292 545902033 /nfs/dbraw/zinc/90/20/33/545902033.db2.gz FLSJFAHDOGXALV-SJORKVTESA-N 2 1 364.534 2.363 20 30 FEEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000182907713 547571259 /nfs/dbraw/zinc/57/12/59/547571259.db2.gz YQYHDBUTBHIUEI-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000182907713 547571265 /nfs/dbraw/zinc/57/12/65/547571265.db2.gz YQYHDBUTBHIUEI-HXUWFJFHSA-N 2 1 356.514 2.429 20 30 FEEDMP CCN(CCC#N)C(=O)CNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189955498 548315387 /nfs/dbraw/zinc/31/53/87/548315387.db2.gz AWMMNZZDUBSOII-HTZLVSCSSA-N 2 1 356.514 2.495 20 30 FEEDMP CCN(CCC#N)C(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189955498 548315395 /nfs/dbraw/zinc/31/53/95/548315395.db2.gz AWMMNZZDUBSOII-HTZLVSCSSA-N 2 1 356.514 2.495 20 30 FEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000249455824 549593289 /nfs/dbraw/zinc/59/32/89/549593289.db2.gz PMTPLFHHRGRTDD-ROUUACIJSA-N 2 1 364.534 2.056 20 30 FEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000249455824 549593292 /nfs/dbraw/zinc/59/32/92/549593292.db2.gz PMTPLFHHRGRTDD-ROUUACIJSA-N 2 1 364.534 2.056 20 30 FEEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262467611 549822444 /nfs/dbraw/zinc/82/24/44/549822444.db2.gz TXVKRZZZLZUAAM-IDCNUPLLSA-N 2 1 360.502 2.395 20 30 FEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000264985510 550003988 /nfs/dbraw/zinc/00/39/88/550003988.db2.gz VQFFZHSZKMWIDQ-FQEVSTJZSA-N 2 1 357.498 2.121 20 30 FEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000264985510 550003991 /nfs/dbraw/zinc/00/39/91/550003991.db2.gz VQFFZHSZKMWIDQ-FQEVSTJZSA-N 2 1 357.498 2.121 20 30 FEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267272723 550029266 /nfs/dbraw/zinc/02/92/66/550029266.db2.gz ARIQPXWYALIDMC-WIYYLYMNSA-N 2 1 353.510 2.358 20 30 FEEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)CC1 ZINC000271270075 550359785 /nfs/dbraw/zinc/35/97/85/550359785.db2.gz NELPPUWAVDHVNK-UHFFFAOYSA-N 2 1 371.529 2.201 20 30 FEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000280128124 550963552 /nfs/dbraw/zinc/96/35/52/550963552.db2.gz XONCXUKGPNZFTB-JCNLHEQBSA-N 2 1 350.894 2.213 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000292147859 552698456 /nfs/dbraw/zinc/69/84/56/552698456.db2.gz NEANFMYYSNLOKG-NQIIRXRSSA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147859 552698458 /nfs/dbraw/zinc/69/84/58/552698458.db2.gz NEANFMYYSNLOKG-NQIIRXRSSA-N 2 1 360.498 2.191 20 30 FEEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000292147859 552698460 /nfs/dbraw/zinc/69/84/60/552698460.db2.gz NEANFMYYSNLOKG-NQIIRXRSSA-N 2 1 360.498 2.191 20 30 FEEDMP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C(N)=O ZINC000328950721 553851680 /nfs/dbraw/zinc/85/16/80/553851680.db2.gz CIQWERJCPCZKMM-HZPDHXFCSA-N 2 1 366.506 2.081 20 30 FEEDMP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C(N)=O ZINC000328950721 553851681 /nfs/dbraw/zinc/85/16/81/553851681.db2.gz CIQWERJCPCZKMM-HZPDHXFCSA-N 2 1 366.506 2.081 20 30 FEEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000329606081 553975541 /nfs/dbraw/zinc/97/55/41/553975541.db2.gz ZQDYPSMDSSWAKG-BBWFWOEESA-N 2 1 352.523 2.149 20 30 FEEDMP CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368243849 556257312 /nfs/dbraw/zinc/25/73/12/556257312.db2.gz QTLXUAXIPXZROV-SJBKTWHCSA-N 2 1 368.525 2.495 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000370015852 556758181 /nfs/dbraw/zinc/75/81/81/556758181.db2.gz FZFYTVXJGGYNTI-HXUWFJFHSA-N 2 1 357.473 2.394 20 30 FEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000370015852 556758184 /nfs/dbraw/zinc/75/81/84/556758184.db2.gz FZFYTVXJGGYNTI-HXUWFJFHSA-N 2 1 357.473 2.394 20 30 FEEDMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000373547637 557715959 /nfs/dbraw/zinc/71/59/59/557715959.db2.gz VJXBGVSVKOXZSA-ICSRJNTNSA-N 2 1 371.529 2.366 20 30 FEEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000521995353 562188480 /nfs/dbraw/zinc/18/84/80/562188480.db2.gz DUEHCIICLAVISC-UXHICEINSA-N 2 1 358.530 2.083 20 30 FEEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000521995353 562188481 /nfs/dbraw/zinc/18/84/81/562188481.db2.gz DUEHCIICLAVISC-UXHICEINSA-N 2 1 358.530 2.083 20 30 FEEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000377822953 558427119 /nfs/dbraw/zinc/42/71/19/558427119.db2.gz DVPVNQKWFGEJEI-DLBZAZTESA-N 2 1 351.454 2.431 20 30 FEEDMP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000424127415 559655676 /nfs/dbraw/zinc/65/56/76/559655676.db2.gz CZRKGVWOQVADBL-QGZVFWFLSA-N 2 1 350.413 2.067 20 30 FEEDMP CC1=CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000460222110 560738289 /nfs/dbraw/zinc/73/82/89/560738289.db2.gz RBIYFHZXHYJHPF-UHFFFAOYSA-N 2 1 369.513 2.283 20 30 FEEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845391 568000064 /nfs/dbraw/zinc/00/00/64/568000064.db2.gz JIXQUEFXCBDRRZ-KRWDZBQOSA-N 2 1 355.486 2.325 20 30 FEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000602709272 568018591 /nfs/dbraw/zinc/01/85/91/568018591.db2.gz JCWHBMPMHQJUNF-XLIONFOSSA-N 2 1 357.498 2.442 20 30 FEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCC(OC(C)(C)C)CC1 ZINC000261820105 672903710 /nfs/dbraw/zinc/90/37/10/672903710.db2.gz UKSFDZBVXQLHEE-SFHVURJKSA-N 2 1 356.580 2.279 20 30 FEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261930818 672905359 /nfs/dbraw/zinc/90/53/59/672905359.db2.gz BHXNOUGMELSVOF-QKLQHJQFSA-N 2 1 350.551 2.431 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261996551 672907224 /nfs/dbraw/zinc/90/72/24/672907224.db2.gz SPLHIPZVZJBSHC-ONIAQPFYSA-N 2 1 350.551 2.475 20 30 FEEDMP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262441876 672916028 /nfs/dbraw/zinc/91/60/28/672916028.db2.gz UTEIRFRVUAHDSC-YQQAZPJKSA-N 2 1 350.532 2.475 20 30 FEEDMP [NH2+]=C(NCCc1cccs1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303788060 673017436 /nfs/dbraw/zinc/01/74/36/673017436.db2.gz TVVDZRICLBLCRU-UHFFFAOYSA-N 2 1 358.511 2.227 20 30 FEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1cccc(C(F)(F)F)c1 ZINC000304761683 673020659 /nfs/dbraw/zinc/02/06/59/673020659.db2.gz USTRHVNNMZOCMM-MRXNPFEDSA-N 2 1 352.404 2.446 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759562 680072270 /nfs/dbraw/zinc/07/22/70/680072270.db2.gz CZPZSRWGSGIYKN-KCYZZUKISA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759562 680072276 /nfs/dbraw/zinc/07/22/76/680072276.db2.gz CZPZSRWGSGIYKN-KCYZZUKISA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759562 680072281 /nfs/dbraw/zinc/07/22/81/680072281.db2.gz CZPZSRWGSGIYKN-KCYZZUKISA-N 2 1 370.335 2.348 20 30 FEEDMP C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990759562 680072289 /nfs/dbraw/zinc/07/22/89/680072289.db2.gz CZPZSRWGSGIYKN-KCYZZUKISA-N 2 1 370.335 2.348 20 30 FEEDMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC001045445013 680630206 /nfs/dbraw/zinc/63/02/06/680630206.db2.gz OSMVWXKLXBDRDX-RHSMWYFYSA-N 2 1 360.527 2.431 20 30 FEEDMP