smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134549592 728730895 /nfs/dbraw/zinc/73/08/95/728730895.db2.gz XWFAAVUWTJAVPG-BBRMVZONSA-N 2 1 370.925 2.835 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000815652730 741950455 /nfs/dbraw/zinc/95/04/55/741950455.db2.gz PKTRFKGDAZGWEU-AWEZNQCLSA-N 2 1 351.878 2.610 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000815652730 741950457 /nfs/dbraw/zinc/95/04/57/741950457.db2.gz PKTRFKGDAZGWEU-AWEZNQCLSA-N 2 1 351.878 2.610 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1scnc1C ZINC001275871313 1013120840 /nfs/dbraw/zinc/12/08/40/1013120840.db2.gz KHELRYWXUFWOOY-ROUUACIJSA-N 2 1 374.554 2.669 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]2C1 ZINC001088052194 972014369 /nfs/dbraw/zinc/01/43/69/972014369.db2.gz BSMLFUYANOAAFL-UXHICEINSA-N 2 1 355.526 2.761 20 30 FFEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001275881245 1013132138 /nfs/dbraw/zinc/13/21/38/1013132138.db2.gz YKUGZDWLPOEPOG-NRFANRHFSA-N 2 1 360.546 2.727 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104305993 962892126 /nfs/dbraw/zinc/89/21/26/962892126.db2.gz FGFIUZCBSWQASL-AQNXPRMDSA-N 2 1 361.574 2.985 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104305993 962892139 /nfs/dbraw/zinc/89/21/39/962892139.db2.gz FGFIUZCBSWQASL-AQNXPRMDSA-N 2 1 361.574 2.985 20 30 FFEDMP C[N@H+]1CCc2c(C#N)c(Nc3cnn(CC[NH+]4CCCC4)c3)sc2C1 ZINC001176554008 1013730680 /nfs/dbraw/zinc/73/06/80/1013730680.db2.gz MHRNGJDNEGEXHG-UHFFFAOYSA-N 2 1 356.499 2.644 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1CC ZINC001087601101 968318335 /nfs/dbraw/zinc/31/83/35/968318335.db2.gz AFWGPPGPGUWUNS-XUVXKRRUSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1CC ZINC001087601101 968318340 /nfs/dbraw/zinc/31/83/40/968318340.db2.gz AFWGPPGPGUWUNS-XUVXKRRUSA-N 2 1 363.546 2.565 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087640546 968476325 /nfs/dbraw/zinc/47/63/25/968476325.db2.gz JSLNXTLAKVDFIT-LEWJYISDSA-N 2 1 365.521 2.636 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC#Cc1ccccc1 ZINC001087640546 968476331 /nfs/dbraw/zinc/47/63/31/968476331.db2.gz JSLNXTLAKVDFIT-LEWJYISDSA-N 2 1 365.521 2.636 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087699848 968652950 /nfs/dbraw/zinc/65/29/50/968652950.db2.gz OONPJOFYFXWKIL-JKLQHZFJSA-N 2 1 367.537 2.738 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC#Cc1ccccc1 ZINC001087699848 968652955 /nfs/dbraw/zinc/65/29/55/968652955.db2.gz OONPJOFYFXWKIL-JKLQHZFJSA-N 2 1 367.537 2.738 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC#Cc1ccccc1 ZINC001087699848 968652967 /nfs/dbraw/zinc/65/29/67/968652967.db2.gz OONPJOFYFXWKIL-JKLQHZFJSA-N 2 1 367.537 2.738 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2CC)CC1 ZINC001087840067 970522820 /nfs/dbraw/zinc/52/28/20/970522820.db2.gz GFSXKIHVANPHKQ-LEWJYISDSA-N 2 1 357.542 2.801 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167406 973291049 /nfs/dbraw/zinc/29/10/49/973291049.db2.gz WZNQIVMOAHZMAG-XQBPLPMBSA-N 2 1 355.526 2.820 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212528 973696224 /nfs/dbraw/zinc/69/62/24/973696224.db2.gz UZTSDUQHFFNIQZ-AEFFLSMTSA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212528 973696233 /nfs/dbraw/zinc/69/62/33/973696233.db2.gz UZTSDUQHFFNIQZ-AEFFLSMTSA-N 2 1 361.917 2.895 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001029742256 974185157 /nfs/dbraw/zinc/18/51/57/974185157.db2.gz PEHDMCNVHXURKC-QHAWAJNXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001029742256 974185164 /nfs/dbraw/zinc/18/51/64/974185164.db2.gz PEHDMCNVHXURKC-QHAWAJNXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001029742256 974185167 /nfs/dbraw/zinc/18/51/67/974185167.db2.gz PEHDMCNVHXURKC-QHAWAJNXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001029742305 974186639 /nfs/dbraw/zinc/18/66/39/974186639.db2.gz QEROTMUMNZFYHJ-QHAWAJNXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001029742305 974186643 /nfs/dbraw/zinc/18/66/43/974186643.db2.gz QEROTMUMNZFYHJ-QHAWAJNXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001029742305 974186646 /nfs/dbraw/zinc/18/66/46/974186646.db2.gz QEROTMUMNZFYHJ-QHAWAJNXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211691127 975387641 /nfs/dbraw/zinc/38/76/41/975387641.db2.gz VSXIGIXRAUCIOK-LEWJYISDSA-N 2 1 364.493 2.579 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088748594 975751617 /nfs/dbraw/zinc/75/16/17/975751617.db2.gz MIEVQVXHROVAIM-UTKZUKDTSA-N 2 1 358.445 2.579 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088748594 975751623 /nfs/dbraw/zinc/75/16/23/975751623.db2.gz MIEVQVXHROVAIM-UTKZUKDTSA-N 2 1 358.445 2.579 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2ccccc2C#N)CC3)CC[N@H+]1C ZINC000990758693 976917102 /nfs/dbraw/zinc/91/71/02/976917102.db2.gz AZCKUPFPIWKKRP-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758693 976917110 /nfs/dbraw/zinc/91/71/10/976917110.db2.gz AZCKUPFPIWKKRP-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758693 976917120 /nfs/dbraw/zinc/91/71/20/976917120.db2.gz AZCKUPFPIWKKRP-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876725212 1014364483 /nfs/dbraw/zinc/36/44/83/1014364483.db2.gz OTPQCMAFMDBFJS-OXQOHEQNSA-N 2 1 354.498 2.516 20 30 FFEDMP N#CCOc1ccc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001137119320 1014557742 /nfs/dbraw/zinc/55/77/42/1014557742.db2.gz GSVGWEWFRNCFRO-RBBKRZOGSA-N 2 1 369.509 2.912 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000963337900 1014591200 /nfs/dbraw/zinc/59/12/00/1014591200.db2.gz LNVRJBQNCHFRMC-XZSMBWTPSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088620600 981873644 /nfs/dbraw/zinc/87/36/44/981873644.db2.gz SJUNKVHDESPBJR-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000877972966 1014793562 /nfs/dbraw/zinc/79/35/62/1014793562.db2.gz QUIXWYVDGHTKPY-NHCUHLMSSA-N 2 1 357.498 2.780 20 30 FFEDMP C=CCc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)c(OC)c1 ZINC000164377695 984353220 /nfs/dbraw/zinc/35/32/20/984353220.db2.gz QKUNTWQIDZULSS-FQEVSTJZSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(O)c(OC)c1 ZINC000164377695 984353225 /nfs/dbraw/zinc/35/32/25/984353225.db2.gz QKUNTWQIDZULSS-FQEVSTJZSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552962 984683265 /nfs/dbraw/zinc/68/32/65/984683265.db2.gz YDGUHHJBUQPGNI-WIYYLYMNSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552962 984683268 /nfs/dbraw/zinc/68/32/68/984683268.db2.gz YDGUHHJBUQPGNI-WIYYLYMNSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552962 984683270 /nfs/dbraw/zinc/68/32/70/984683270.db2.gz YDGUHHJBUQPGNI-WIYYLYMNSA-N 2 1 365.562 2.528 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001212368304 985571913 /nfs/dbraw/zinc/57/19/13/985571913.db2.gz LHLJINMDDXCTKN-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001212368304 985571926 /nfs/dbraw/zinc/57/19/26/985571926.db2.gz LHLJINMDDXCTKN-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001212368304 985571935 /nfs/dbraw/zinc/57/19/35/985571935.db2.gz LHLJINMDDXCTKN-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212454712 987407102 /nfs/dbraw/zinc/40/71/02/987407102.db2.gz BPSCQCAWNQXJLO-RTBURBONSA-N 2 1 365.562 2.648 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106271338 987801613 /nfs/dbraw/zinc/80/16/13/987801613.db2.gz BLWOVKMXYZODJS-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)[C@H]1C(C)C ZINC000922392590 988552468 /nfs/dbraw/zinc/55/24/68/988552468.db2.gz DYJCLKSSUIFDMU-UKAVVXHISA-N 2 1 357.498 2.526 20 30 FFEDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)C2)[C@H]1C(C)C ZINC000922394321 988556088 /nfs/dbraw/zinc/55/60/88/988556088.db2.gz QHILYVCCYNTAGQ-VURPSTOHSA-N 2 1 357.498 2.526 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085196575 988668580 /nfs/dbraw/zinc/66/85/80/988668580.db2.gz FPSNWLXFHMIMJV-NJYVYQBISA-N 2 1 368.525 2.948 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001484137358 991408575 /nfs/dbraw/zinc/40/85/75/991408575.db2.gz WYQGOGXWDQLHFH-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154500 991855023 /nfs/dbraw/zinc/85/50/23/991855023.db2.gz GXUOLTYXDXBENW-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079162642 991868041 /nfs/dbraw/zinc/86/80/41/991868041.db2.gz USIHOUIKPDGWNJ-YZGWKJHDSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cccc(F)c1 ZINC001079187753 991898742 /nfs/dbraw/zinc/89/87/42/991898742.db2.gz WZPNQPWOZWLCNS-IPMKNSEASA-N 2 1 368.456 2.670 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081179789 993740318 /nfs/dbraw/zinc/74/03/18/993740318.db2.gz KDOJKRRROJUMCB-YTQUADARSA-N 2 1 361.917 2.807 20 30 FFEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040877 1015927857 /nfs/dbraw/zinc/92/78/57/1015927857.db2.gz BVDMXRMAZWZNJL-QHAWAJNXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040877 1015927865 /nfs/dbraw/zinc/92/78/65/1015927865.db2.gz BVDMXRMAZWZNJL-QHAWAJNXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040877 1015927877 /nfs/dbraw/zinc/92/78/77/1015927877.db2.gz BVDMXRMAZWZNJL-QHAWAJNXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040987 1015928237 /nfs/dbraw/zinc/92/82/37/1015928237.db2.gz CBVLCVQGWGBOND-QHAWAJNXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040987 1015928246 /nfs/dbraw/zinc/92/82/46/1015928246.db2.gz CBVLCVQGWGBOND-QHAWAJNXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040987 1015928251 /nfs/dbraw/zinc/92/82/51/1015928251.db2.gz CBVLCVQGWGBOND-QHAWAJNXSA-N 2 1 355.526 2.836 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082698670 995294890 /nfs/dbraw/zinc/29/48/90/995294890.db2.gz UOTBNHVWKNRTPK-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090875388 997533626 /nfs/dbraw/zinc/53/36/26/997533626.db2.gz RMWDIKWAWCXWNW-PWRODBHTSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001085033670 998725440 /nfs/dbraw/zinc/72/54/40/998725440.db2.gz UAOFJNIYNQJDRB-CTNGQTDRSA-N 2 1 355.526 2.903 20 30 FFEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109417759 1000407981 /nfs/dbraw/zinc/40/79/81/1000407981.db2.gz MEWQSUPRMAAXLG-QXGSTGNESA-N 2 1 372.538 2.716 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109417759 1000407987 /nfs/dbraw/zinc/40/79/87/1000407987.db2.gz MEWQSUPRMAAXLG-QXGSTGNESA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109417759 1000407990 /nfs/dbraw/zinc/40/79/90/1000407990.db2.gz MEWQSUPRMAAXLG-QXGSTGNESA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109417759 1000407996 /nfs/dbraw/zinc/40/79/96/1000407996.db2.gz MEWQSUPRMAAXLG-QXGSTGNESA-N 2 1 372.538 2.716 20 30 FFEDMP C[N@H+]1CCCN(Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000126032813 1000515140 /nfs/dbraw/zinc/51/51/40/1000515140.db2.gz GXCUNOPGCIYGGT-UHFFFAOYSA-N 2 1 357.546 2.515 20 30 FFEDMP CN1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000126032813 1000515146 /nfs/dbraw/zinc/51/51/46/1000515146.db2.gz GXCUNOPGCIYGGT-UHFFFAOYSA-N 2 1 357.546 2.515 20 30 FFEDMP CN1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000126032813 1000515152 /nfs/dbraw/zinc/51/51/52/1000515152.db2.gz GXCUNOPGCIYGGT-UHFFFAOYSA-N 2 1 357.546 2.515 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110015114 1001305626 /nfs/dbraw/zinc/30/56/26/1001305626.db2.gz ZJWQVLBBSLCLDR-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110015114 1001305632 /nfs/dbraw/zinc/30/56/32/1001305632.db2.gz ZJWQVLBBSLCLDR-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110015114 1001305638 /nfs/dbraw/zinc/30/56/38/1001305638.db2.gz ZJWQVLBBSLCLDR-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110015114 1001305643 /nfs/dbraw/zinc/30/56/43/1001305643.db2.gz ZJWQVLBBSLCLDR-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112586201 1001537976 /nfs/dbraw/zinc/53/79/76/1001537976.db2.gz MKTLYKYWTXGGCD-SCTDSRPQSA-N 2 1 353.938 2.832 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1 ZINC001095498948 1016510635 /nfs/dbraw/zinc/51/06/35/1016510635.db2.gz KLYMJICLEUGDIY-FCLVOEFKSA-N 2 1 372.538 2.716 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001086592373 1002531843 /nfs/dbraw/zinc/53/18/43/1002531843.db2.gz KAKMSVZHROZQJZ-BDTNDASRSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001086592373 1002531850 /nfs/dbraw/zinc/53/18/50/1002531850.db2.gz KAKMSVZHROZQJZ-BDTNDASRSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086592373 1002531859 /nfs/dbraw/zinc/53/18/59/1002531859.db2.gz KAKMSVZHROZQJZ-BDTNDASRSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086592373 1002531870 /nfs/dbraw/zinc/53/18/70/1002531870.db2.gz KAKMSVZHROZQJZ-BDTNDASRSA-N 2 1 365.521 2.611 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001186189740 1003213264 /nfs/dbraw/zinc/21/32/64/1003213264.db2.gz QOVOFXXLAPZMEZ-MISYRCLQSA-N 2 1 361.505 2.874 20 30 FFEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001489036048 1005399291 /nfs/dbraw/zinc/39/92/91/1005399291.db2.gz WLHACYVRKAXDEC-DYXWJJEUSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001086721106 1006279084 /nfs/dbraw/zinc/27/90/84/1006279084.db2.gz GWJJZKAOSOJSFA-NNWRFLSQSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001086721106 1006279098 /nfs/dbraw/zinc/27/90/98/1006279098.db2.gz GWJJZKAOSOJSFA-NNWRFLSQSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045329 1006645723 /nfs/dbraw/zinc/64/57/23/1006645723.db2.gz XRBWSSGCCXKMCM-NQIIRXRSSA-N 2 1 367.537 2.747 20 30 FFEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000883189778 1006692942 /nfs/dbraw/zinc/69/29/42/1006692942.db2.gz OFLSPLJDCOXWPE-YADHBBJMSA-N 2 1 357.542 2.560 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093767828 1010539758 /nfs/dbraw/zinc/53/97/58/1010539758.db2.gz FEAHLIDWKUYXMG-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093768305 1010539792 /nfs/dbraw/zinc/53/97/92/1010539792.db2.gz RMKOALBYMJUVTN-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC001094466351 1011125040 /nfs/dbraw/zinc/12/50/40/1011125040.db2.gz QIBZNXXGVGXECX-TZIWHRDSSA-N 2 1 365.481 2.818 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC001094582522 1011265962 /nfs/dbraw/zinc/26/59/62/1011265962.db2.gz PZWYQSQVJXOBOM-IFMALSPDSA-N 2 1 359.558 2.739 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001172114653 1011644855 /nfs/dbraw/zinc/64/48/55/1011644855.db2.gz OYPPIXPPCLGTSU-MZADTFQBSA-N 2 1 366.509 2.768 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001172114653 1011644861 /nfs/dbraw/zinc/64/48/61/1011644861.db2.gz OYPPIXPPCLGTSU-MZADTFQBSA-N 2 1 366.509 2.768 20 30 FFEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC001172176841 1011684318 /nfs/dbraw/zinc/68/43/18/1011684318.db2.gz WDKWGHIMMJPFKU-NCYKPQTJSA-N 2 1 366.509 2.784 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976443 1012147643 /nfs/dbraw/zinc/14/76/43/1012147643.db2.gz PSWSAIXCFHOBNK-SFFUCWETSA-N 2 1 362.518 2.883 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976443 1012147656 /nfs/dbraw/zinc/14/76/56/1012147656.db2.gz PSWSAIXCFHOBNK-SFFUCWETSA-N 2 1 362.518 2.883 20 30 FFEDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980273 1012149360 /nfs/dbraw/zinc/14/93/60/1012149360.db2.gz VTNMRPFIIPUEEQ-ZJPYXAASSA-N 2 1 364.534 2.986 20 30 FFEDMP C=CCCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275336767 1012328524 /nfs/dbraw/zinc/32/85/24/1012328524.db2.gz JJUUQJSOGOGSFA-OAQYLSRUSA-N 2 1 363.546 2.916 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000303770641 1012425637 /nfs/dbraw/zinc/42/56/37/1012425637.db2.gz BZVWWATZJYQNNT-QGZVFWFLSA-N 2 1 356.470 2.603 20 30 FFEDMP CCOc1cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)ccc1OC(F)F ZINC000303872193 1012475724 /nfs/dbraw/zinc/47/57/24/1012475724.db2.gz BWIAAPKNOVEBJM-CQSZACIVSA-N 2 1 370.444 2.575 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000303880048 1012481082 /nfs/dbraw/zinc/48/10/82/1012481082.db2.gz JZJFCLDMUXCBDH-HNNXBMFYSA-N 2 1 362.518 2.619 20 30 FFEDMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423826 1012573451 /nfs/dbraw/zinc/57/34/51/1012573451.db2.gz NVQUISSCYZRYPZ-UHFFFAOYSA-N 2 1 356.514 2.874 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000304760078 1012865086 /nfs/dbraw/zinc/86/50/86/1012865086.db2.gz RWGJQKXWOIRGGI-WMZOPIPTSA-N 2 1 361.534 2.784 20 30 FFEDMP C=C(C)CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291296 1017271320 /nfs/dbraw/zinc/27/13/20/1017271320.db2.gz OSHZXFSHFDPNBW-YLJYHZDGSA-N 2 1 355.526 2.967 20 30 FFEDMP C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291296 1017271327 /nfs/dbraw/zinc/27/13/27/1017271327.db2.gz OSHZXFSHFDPNBW-YLJYHZDGSA-N 2 1 355.526 2.967 20 30 FFEDMP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291296 1017271343 /nfs/dbraw/zinc/27/13/43/1017271343.db2.gz OSHZXFSHFDPNBW-YLJYHZDGSA-N 2 1 355.526 2.967 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)cc1 ZINC001097550685 1017632342 /nfs/dbraw/zinc/63/23/42/1017632342.db2.gz CJGXQSQBWCXHBR-NRSPTQNISA-N 2 1 371.444 2.741 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC3(C[C@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221724 1032832282 /nfs/dbraw/zinc/83/22/82/1032832282.db2.gz QXRBJJMWKUVDND-IBGZPJMESA-N 2 1 358.482 2.759 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CC3(C[C@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221724 1032832298 /nfs/dbraw/zinc/83/22/98/1032832298.db2.gz QXRBJJMWKUVDND-IBGZPJMESA-N 2 1 358.482 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001074015595 1020623268 /nfs/dbraw/zinc/62/32/68/1020623268.db2.gz GJIMJXJWZXPULT-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001074015595 1020623273 /nfs/dbraw/zinc/62/32/73/1020623273.db2.gz GJIMJXJWZXPULT-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001074015595 1020623278 /nfs/dbraw/zinc/62/32/78/1020623278.db2.gz GJIMJXJWZXPULT-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001099262041 1022185450 /nfs/dbraw/zinc/18/54/50/1022185450.db2.gz BUXRNKYPFSALDF-BZUAXINKSA-N 2 1 359.436 2.558 20 30 FFEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363691 1033124545 /nfs/dbraw/zinc/12/45/45/1033124545.db2.gz ZLDBUJKLKHVQOO-VQTJNVASSA-N 2 1 363.546 2.519 20 30 FFEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363691 1033124552 /nfs/dbraw/zinc/12/45/52/1033124552.db2.gz ZLDBUJKLKHVQOO-VQTJNVASSA-N 2 1 363.546 2.519 20 30 FFEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218363691 1033124555 /nfs/dbraw/zinc/12/45/55/1033124555.db2.gz ZLDBUJKLKHVQOO-VQTJNVASSA-N 2 1 363.546 2.519 20 30 FFEDMP COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1C#N ZINC000192355781 1024091950 /nfs/dbraw/zinc/09/19/50/1024091950.db2.gz XJZWWPJFEBICEL-NRFANRHFSA-N 2 1 365.477 2.948 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223022697 1033244784 /nfs/dbraw/zinc/24/47/84/1033244784.db2.gz BRWWENCUCBDBMS-RTWAWAEBSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223022697 1033244793 /nfs/dbraw/zinc/24/47/93/1033244793.db2.gz BRWWENCUCBDBMS-RTWAWAEBSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223022697 1033244797 /nfs/dbraw/zinc/24/47/97/1033244797.db2.gz BRWWENCUCBDBMS-RTWAWAEBSA-N 2 1 367.537 2.691 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001103099691 1026962365 /nfs/dbraw/zinc/96/23/65/1026962365.db2.gz TWVGCGPBHRBJGH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001103099691 1026962371 /nfs/dbraw/zinc/96/23/71/1026962371.db2.gz TWVGCGPBHRBJGH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001103099691 1026962376 /nfs/dbraw/zinc/96/23/76/1026962376.db2.gz TWVGCGPBHRBJGH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001103099691 1026962382 /nfs/dbraw/zinc/96/23/82/1026962382.db2.gz TWVGCGPBHRBJGH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103147838 1027004809 /nfs/dbraw/zinc/00/48/09/1027004809.db2.gz CCVTWWUPPKJWJB-YFVAEKQCSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103147838 1027004812 /nfs/dbraw/zinc/00/48/12/1027004812.db2.gz CCVTWWUPPKJWJB-YFVAEKQCSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103147838 1027004813 /nfs/dbraw/zinc/00/48/13/1027004813.db2.gz CCVTWWUPPKJWJB-YFVAEKQCSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001160175247 1027621688 /nfs/dbraw/zinc/62/16/88/1027621688.db2.gz IFJKYNDYRSIKOT-DENIHFKCSA-N 2 1 365.521 2.517 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001160175247 1027621694 /nfs/dbraw/zinc/62/16/94/1027621694.db2.gz IFJKYNDYRSIKOT-DENIHFKCSA-N 2 1 365.521 2.517 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001160175247 1027621704 /nfs/dbraw/zinc/62/17/04/1027621704.db2.gz IFJKYNDYRSIKOT-DENIHFKCSA-N 2 1 365.521 2.517 20 30 FFEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160479021 1027722993 /nfs/dbraw/zinc/72/29/93/1027722993.db2.gz JTWHWGNGSQDGKP-UYAOXDASSA-N 2 1 363.546 2.590 20 30 FFEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160479021 1027723010 /nfs/dbraw/zinc/72/30/10/1027723010.db2.gz JTWHWGNGSQDGKP-UYAOXDASSA-N 2 1 363.546 2.590 20 30 FFEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479021 1027723030 /nfs/dbraw/zinc/72/30/30/1027723030.db2.gz JTWHWGNGSQDGKP-UYAOXDASSA-N 2 1 363.546 2.590 20 30 FFEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479021 1027723043 /nfs/dbraw/zinc/72/30/43/1027723043.db2.gz JTWHWGNGSQDGKP-UYAOXDASSA-N 2 1 363.546 2.590 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001103751889 1028138988 /nfs/dbraw/zinc/13/89/88/1028138988.db2.gz XKXNRCMWRYZXBC-SFHLNBCPSA-N 2 1 359.558 2.761 20 30 FFEDMP N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155382927 1028711030 /nfs/dbraw/zinc/71/10/30/1028711030.db2.gz QHRDDVZKBWCOJQ-CQSZACIVSA-N 2 1 373.863 2.758 20 30 FFEDMP N#Cc1c2c(cnc1N1C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C1)C[NH2+]CCC2 ZINC001165090243 1029380551 /nfs/dbraw/zinc/38/05/51/1029380551.db2.gz XMLRVORPDDDEJC-GCJKJVERSA-N 2 1 373.504 2.700 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111996393 1029845199 /nfs/dbraw/zinc/84/51/99/1029845199.db2.gz XZNQRILDJVFFSV-ZJOUEHCJSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111996393 1029845207 /nfs/dbraw/zinc/84/52/07/1029845207.db2.gz XZNQRILDJVFFSV-ZJOUEHCJSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001111996393 1029845215 /nfs/dbraw/zinc/84/52/15/1029845215.db2.gz XZNQRILDJVFFSV-ZJOUEHCJSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001111996393 1029845218 /nfs/dbraw/zinc/84/52/18/1029845218.db2.gz XZNQRILDJVFFSV-ZJOUEHCJSA-N 2 1 365.562 2.648 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205678954 1031928964 /nfs/dbraw/zinc/92/89/64/1031928964.db2.gz YGSCHQLLUHKATG-IMFGXOCKSA-N 2 1 359.489 2.628 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1F ZINC001205685638 1031934448 /nfs/dbraw/zinc/93/44/48/1031934448.db2.gz AUAOHAOJYWYWFY-CEWLAPEOSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001223682662 1033547281 /nfs/dbraw/zinc/54/72/81/1033547281.db2.gz RUFQVTMHVSUZLY-OAQYLSRUSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001223682662 1033547284 /nfs/dbraw/zinc/54/72/84/1033547284.db2.gz RUFQVTMHVSUZLY-OAQYLSRUSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277084064 1034455083 /nfs/dbraw/zinc/45/50/83/1034455083.db2.gz UYSGFCIRGJAISS-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277084064 1034455090 /nfs/dbraw/zinc/45/50/90/1034455090.db2.gz UYSGFCIRGJAISS-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(CCOC)C3)c1O ZINC001138627156 1034478623 /nfs/dbraw/zinc/47/86/23/1034478623.db2.gz YFYMNYDBCZSGIG-QFIPXVFZSA-N 2 1 374.525 2.682 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138773793 1034642310 /nfs/dbraw/zinc/64/23/10/1034642310.db2.gz NZXLEZBRRBFGKF-GOSISDBHSA-N 2 1 361.486 2.504 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001207396990 1037413813 /nfs/dbraw/zinc/41/38/13/1037413813.db2.gz ZVESYUADKDSBKS-GGAORHGYSA-N 2 1 367.537 2.832 20 30 FFEDMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001236066859 1037912186 /nfs/dbraw/zinc/91/21/86/1037912186.db2.gz KCFLUPUYIHUJKZ-QFIPXVFZSA-N 2 1 362.473 2.799 20 30 FFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208922344 1038588956 /nfs/dbraw/zinc/58/89/56/1038588956.db2.gz FLSBSGWARNHBSN-FGZHOGPDSA-N 2 1 353.510 2.781 20 30 FFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001208922344 1038588959 /nfs/dbraw/zinc/58/89/59/1038588959.db2.gz FLSBSGWARNHBSN-FGZHOGPDSA-N 2 1 353.510 2.781 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957231 1038606421 /nfs/dbraw/zinc/60/64/21/1038606421.db2.gz FCFJJPGQAUWDSI-VQTJNVASSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957231 1038606423 /nfs/dbraw/zinc/60/64/23/1038606423.db2.gz FCFJJPGQAUWDSI-VQTJNVASSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957231 1038606425 /nfs/dbraw/zinc/60/64/25/1038606425.db2.gz FCFJJPGQAUWDSI-VQTJNVASSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957231 1038606426 /nfs/dbraw/zinc/60/64/26/1038606426.db2.gz FCFJJPGQAUWDSI-VQTJNVASSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957231 1038606431 /nfs/dbraw/zinc/60/64/31/1038606431.db2.gz FCFJJPGQAUWDSI-VQTJNVASSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCCCC[N@H+]1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001209201331 1038713407 /nfs/dbraw/zinc/71/34/07/1038713407.db2.gz YGEDRORNROQNLA-OAQYLSRUSA-N 2 1 373.545 2.818 20 30 FFEDMP C=CCCCC[N@@H+]1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001209201331 1038713411 /nfs/dbraw/zinc/71/34/11/1038713411.db2.gz YGEDRORNROQNLA-OAQYLSRUSA-N 2 1 373.545 2.818 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001246305974 1039306882 /nfs/dbraw/zinc/30/68/82/1039306882.db2.gz SMUGMTHFJVMDID-JCYILVPMSA-N 2 1 368.518 2.703 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700240 1039441204 /nfs/dbraw/zinc/44/12/04/1039441204.db2.gz ITLQKPMZJXXCSP-KMQSCTNJSA-N 2 1 353.510 2.631 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700240 1039441206 /nfs/dbraw/zinc/44/12/06/1039441206.db2.gz ITLQKPMZJXXCSP-KMQSCTNJSA-N 2 1 353.510 2.631 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236901 1039441582 /nfs/dbraw/zinc/44/15/82/1039441582.db2.gz VZPSWMPIIVFRER-RTBURBONSA-N 2 1 353.551 2.528 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1C#N ZINC001278462879 1039444175 /nfs/dbraw/zinc/44/41/75/1039444175.db2.gz ACXKZPQLMGFWJW-GOSISDBHSA-N 2 1 356.514 2.611 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211073782 1039934204 /nfs/dbraw/zinc/93/42/04/1039934204.db2.gz OWHRAWBZRHZIJQ-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP Cc1cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)ccc1C#N ZINC001247904775 1040033699 /nfs/dbraw/zinc/03/36/99/1040033699.db2.gz IYVLRGUOOKLZDU-QGZVFWFLSA-N 2 1 351.454 2.848 20 30 FFEDMP N#Cc1ccc(F)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247908892 1040040136 /nfs/dbraw/zinc/04/01/36/1040040136.db2.gz YSTMPZLJVBJGPH-UHFFFAOYSA-N 2 1 355.417 2.679 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001278734948 1040300260 /nfs/dbraw/zinc/30/02/60/1040300260.db2.gz MROUVKOHZHJNME-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001278734948 1040300272 /nfs/dbraw/zinc/30/02/72/1040300272.db2.gz MROUVKOHZHJNME-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255121230 1041155854 /nfs/dbraw/zinc/15/58/54/1041155854.db2.gz WRAJGECJNCCPFI-HSZRJFAPSA-N 2 1 368.569 2.553 20 30 FFEDMP C#CCCN1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255388978 1041313411 /nfs/dbraw/zinc/31/34/11/1041313411.db2.gz AWPQBDZBTYGRCI-SFTDATJTSA-N 2 1 353.510 2.645 20 30 FFEDMP COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CC[N@H+](C)C3)c3ccccc32)cc1 ZINC001255428069 1041335001 /nfs/dbraw/zinc/33/50/01/1041335001.db2.gz VOWOEHRJQHBEMZ-MRXNPFEDSA-N 2 1 363.465 2.503 20 30 FFEDMP COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CC[N@@H+](C)C3)c3ccccc32)cc1 ZINC001255428069 1041335009 /nfs/dbraw/zinc/33/50/09/1041335009.db2.gz VOWOEHRJQHBEMZ-MRXNPFEDSA-N 2 1 363.465 2.503 20 30 FFEDMP C=CCn1c(CCn2cc[nH+]c2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001262989838 1042014032 /nfs/dbraw/zinc/01/40/32/1042014032.db2.gz HJGAHCUYZNEFFC-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264038478 1042590606 /nfs/dbraw/zinc/59/06/06/1042590606.db2.gz JGSNYGFATRKXJM-NJDAHSKKSA-N 2 1 355.526 2.570 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CC#Cc2ccccc2)CC[N@H+]1C ZINC001266043402 1042890705 /nfs/dbraw/zinc/89/07/05/1042890705.db2.gz WVMCDHKQQJHNON-LEWJYISDSA-N 2 1 355.526 2.597 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)CC#Cc2ccccc2)CC[NH+]1C ZINC001266043402 1042890710 /nfs/dbraw/zinc/89/07/10/1042890710.db2.gz WVMCDHKQQJHNON-LEWJYISDSA-N 2 1 355.526 2.597 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)CC#Cc2ccccc2)CC[NH+]1C ZINC001266043402 1042890713 /nfs/dbraw/zinc/89/07/13/1042890713.db2.gz WVMCDHKQQJHNON-LEWJYISDSA-N 2 1 355.526 2.597 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(F)c1 ZINC001279226553 1042953362 /nfs/dbraw/zinc/95/33/62/1042953362.db2.gz MKKLDWOUZCPXKV-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCOC2)CC3)cc1C#N ZINC001279617535 1043348128 /nfs/dbraw/zinc/34/81/28/1043348128.db2.gz CHBDVTPYPXKCHO-SFHVURJKSA-N 2 1 356.514 2.611 20 30 FFEDMP N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc5c[nH+]cn54)C3)CC2=O)c1 ZINC001238104846 1043539625 /nfs/dbraw/zinc/53/96/25/1043539625.db2.gz PYDYPIQLYILSFV-JOCHJYFZSA-N 2 1 371.444 2.835 20 30 FFEDMP N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cccc5c[nH+]cn54)C3)CC2=O)c1 ZINC001238104846 1043539636 /nfs/dbraw/zinc/53/96/36/1043539636.db2.gz PYDYPIQLYILSFV-JOCHJYFZSA-N 2 1 371.444 2.835 20 30 FFEDMP CCCCCCC[N@@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001279865356 1043797827 /nfs/dbraw/zinc/79/78/27/1043797827.db2.gz WQNWYEQXTDQFON-UHFFFAOYSA-N 2 1 362.518 2.827 20 30 FFEDMP CCCCCCC[N@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001279865356 1043797833 /nfs/dbraw/zinc/79/78/33/1043797833.db2.gz WQNWYEQXTDQFON-UHFFFAOYSA-N 2 1 362.518 2.827 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001316708522 1043945310 /nfs/dbraw/zinc/94/53/10/1043945310.db2.gz NRJHFBVHXFBSTO-IRLDBZIGSA-N 2 1 369.553 2.987 20 30 FFEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001281841242 1045203267 /nfs/dbraw/zinc/20/32/67/1045203267.db2.gz XBZBGZPSXCDTDN-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001281841242 1045203280 /nfs/dbraw/zinc/20/32/80/1045203280.db2.gz XBZBGZPSXCDTDN-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001281841242 1045203288 /nfs/dbraw/zinc/20/32/88/1045203288.db2.gz XBZBGZPSXCDTDN-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C=CC[C@@]1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCC[NH2+]1 ZINC001349893749 1055525983 /nfs/dbraw/zinc/52/59/83/1055525983.db2.gz NRFVYMRDLPRXLU-CTNGQTDRSA-N 2 1 354.498 2.608 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001356609861 1055612314 /nfs/dbraw/zinc/61/23/14/1055612314.db2.gz FPRDJTCHCGUZDY-QGZVFWFLSA-N 2 1 354.416 2.686 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001480296036 1063040538 /nfs/dbraw/zinc/04/05/38/1063040538.db2.gz PHPVGFOBQKWLHK-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[N@@H+]1CCCC[C@@H]1CC)C1CC1 ZINC001574936159 1078094761 /nfs/dbraw/zinc/09/47/61/1078094761.db2.gz RYXZVVJLZTUGQC-KSZLIROESA-N 2 1 372.561 2.902 20 30 FFEDMP C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473487947 1065271858 /nfs/dbraw/zinc/27/18/58/1065271858.db2.gz BQKBLYQZKVOKPQ-ICSRJNTNSA-N 2 1 361.917 2.985 20 30 FFEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CC[NH2+]CC2)O1 ZINC001576801034 1078276697 /nfs/dbraw/zinc/27/66/97/1078276697.db2.gz PNNAHWQZEKEXOI-OAHLLOKOSA-N 2 1 352.400 2.900 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CC[NH2+]CC2)O1 ZINC001576801034 1078276698 /nfs/dbraw/zinc/27/66/98/1078276698.db2.gz PNNAHWQZEKEXOI-OAHLLOKOSA-N 2 1 352.400 2.900 20 30 FFEDMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001565985250 1076830057 /nfs/dbraw/zinc/83/00/57/1076830057.db2.gz AWEILFAQWVRPME-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001566743755 1076979613 /nfs/dbraw/zinc/97/96/13/1076979613.db2.gz QSLIPHKIIDVHLC-NNWRFLSQSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001566743755 1076979615 /nfs/dbraw/zinc/97/96/15/1076979615.db2.gz QSLIPHKIIDVHLC-NNWRFLSQSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001566743755 1076979619 /nfs/dbraw/zinc/97/96/19/1076979619.db2.gz QSLIPHKIIDVHLC-NNWRFLSQSA-N 2 1 367.537 2.526 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567141776 1077002756 /nfs/dbraw/zinc/00/27/56/1077002756.db2.gz JHISNHZMIAIPLI-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001569452140 1077146160 /nfs/dbraw/zinc/14/61/60/1077146160.db2.gz NSNISPBGLAMCPM-CRAIPNDOSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001569452140 1077146162 /nfs/dbraw/zinc/14/61/62/1077146162.db2.gz NSNISPBGLAMCPM-CRAIPNDOSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001569452140 1077146164 /nfs/dbraw/zinc/14/61/64/1077146164.db2.gz NSNISPBGLAMCPM-CRAIPNDOSA-N 2 1 353.938 2.782 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000118399090 250384528 /nfs/dbraw/zinc/38/45/28/250384528.db2.gz AXPRYWFKJFINKB-SFHVURJKSA-N 2 1 368.525 2.885 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000118399094 250384975 /nfs/dbraw/zinc/38/49/75/250384975.db2.gz AXPRYWFKJFINKB-GOSISDBHSA-N 2 1 368.525 2.885 20 30 FFEDMP N#Cc1ccc(N2CCC([NH2+]CC3([NH+]4CCCC4)CCOCC3)CC2)cc1 ZINC000286188372 257024853 /nfs/dbraw/zinc/02/48/53/257024853.db2.gz RDSSTJFCPMGERQ-UHFFFAOYSA-N 2 1 368.525 2.762 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000369324105 512351426 /nfs/dbraw/zinc/35/14/26/512351426.db2.gz SDVKYADKAWZDQL-RBUKOAKNSA-N 2 1 362.562 2.933 20 30 FFEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000131781942 508968930 /nfs/dbraw/zinc/96/89/30/508968930.db2.gz SEJXSUNBWIGPNM-QUCCMNQESA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000131781942 508968932 /nfs/dbraw/zinc/96/89/32/508968932.db2.gz SEJXSUNBWIGPNM-QUCCMNQESA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131781942 508968936 /nfs/dbraw/zinc/96/89/36/508968936.db2.gz SEJXSUNBWIGPNM-QUCCMNQESA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131781942 508968942 /nfs/dbraw/zinc/96/89/42/508968942.db2.gz SEJXSUNBWIGPNM-QUCCMNQESA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155927982 509094499 /nfs/dbraw/zinc/09/44/99/509094499.db2.gz FYMXBVMMVHBICX-WOJBJXKFSA-N 2 1 370.541 2.818 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000121253258 509157651 /nfs/dbraw/zinc/15/76/51/509157651.db2.gz DEYBPWAVOLMCBA-RXVVDRJESA-N 2 1 370.541 2.847 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C[NH+](C)C)C3)sc2C1 ZINC000265182643 509906370 /nfs/dbraw/zinc/90/63/70/509906370.db2.gz WTMIVNTZHPITGH-GJZGRUSLSA-N 2 1 374.554 2.957 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C[NH+](C)C)C3)sc2C1 ZINC000265182643 509906379 /nfs/dbraw/zinc/90/63/79/509906379.db2.gz WTMIVNTZHPITGH-GJZGRUSLSA-N 2 1 374.554 2.957 20 30 FFEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1ccc2c(c1)CCC2 ZINC000262267757 510226161 /nfs/dbraw/zinc/22/61/61/510226161.db2.gz UDRSSIGFXQEOFV-OAQYLSRUSA-N 2 1 364.493 2.669 20 30 FFEDMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661106 510357432 /nfs/dbraw/zinc/35/74/32/510357432.db2.gz MXUWYHGWWNCAQF-HOCLYGCPSA-N 2 1 354.420 2.979 20 30 FFEDMP C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262826323 510430352 /nfs/dbraw/zinc/43/03/52/510430352.db2.gz ZVQFQMLNTOWRKK-HQSKLWIPSA-N 2 1 364.921 2.554 20 30 FFEDMP COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1C#N ZINC000178615339 510688817 /nfs/dbraw/zinc/68/88/17/510688817.db2.gz ZMGKMMOMJSRSLX-UHFFFAOYSA-N 2 1 351.454 2.732 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000362143092 511139687 /nfs/dbraw/zinc/13/96/87/511139687.db2.gz TVFASOCFLFPNNY-UXHICEINSA-N 2 1 374.504 2.911 20 30 FFEDMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329155983 511994571 /nfs/dbraw/zinc/99/45/71/511994571.db2.gz VNABSWVJINRONR-UHFFFAOYSA-N 2 1 368.485 2.815 20 30 FFEDMP Cc1cc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc(N2CCCC2)[nH+]1 ZINC000329633490 512079236 /nfs/dbraw/zinc/07/92/36/512079236.db2.gz SLDMQUAVUZEZJC-UHFFFAOYSA-N 2 1 371.529 2.964 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N(C)CCC#N ZINC000368233534 512857585 /nfs/dbraw/zinc/85/75/85/512857585.db2.gz FUHREKDYGCUVKG-ZIBCJSCZSA-N 2 1 368.525 2.637 20 30 FFEDMP COc1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000390888223 512913092 /nfs/dbraw/zinc/91/30/92/512913092.db2.gz ZNVBZSIELLTWEV-OAQYLSRUSA-N 2 1 365.477 2.948 20 30 FFEDMP COc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1C#N ZINC000390888223 512913096 /nfs/dbraw/zinc/91/30/96/512913096.db2.gz ZNVBZSIELLTWEV-OAQYLSRUSA-N 2 1 365.477 2.948 20 30 FFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000503183783 514947993 /nfs/dbraw/zinc/94/79/93/514947993.db2.gz WBXIHKUSYWFMKF-PMACEKPBSA-N 2 1 356.514 2.665 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000493790655 515663647 /nfs/dbraw/zinc/66/36/47/515663647.db2.gz QPOIKERLKBVLRH-NQIIRXRSSA-N 2 1 370.541 2.989 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000465869213 516276374 /nfs/dbraw/zinc/27/63/74/516276374.db2.gz ZAIIWTGWCKBKEB-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000465869212 516276722 /nfs/dbraw/zinc/27/67/22/516276722.db2.gz ZAIIWTGWCKBKEB-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107745 517084034 /nfs/dbraw/zinc/08/40/34/517084034.db2.gz SPIOJYLDKFJJNL-TZIWHRDSSA-N 2 1 368.525 2.639 20 30 FFEDMP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538949218 517861164 /nfs/dbraw/zinc/86/11/64/517861164.db2.gz MFCJDGQRYFGFFR-NRFANRHFSA-N 2 1 368.525 2.919 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538949218 517861174 /nfs/dbraw/zinc/86/11/74/517861174.db2.gz MFCJDGQRYFGFFR-NRFANRHFSA-N 2 1 368.525 2.919 20 30 FFEDMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC#N)CC1 ZINC000563708433 518081239 /nfs/dbraw/zinc/08/12/39/518081239.db2.gz NZOQJOJDHIWSSP-GHTZIAJQSA-N 2 1 368.525 2.781 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC000517335683 518121391 /nfs/dbraw/zinc/12/13/91/518121391.db2.gz UUBHOLJHEXRMMU-NRFANRHFSA-N 2 1 370.541 2.773 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000578980160 518465016 /nfs/dbraw/zinc/46/50/16/518465016.db2.gz XGQCWNFXCIMWPJ-NSHGMRRFSA-N 2 1 359.514 2.646 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000568384036 519013241 /nfs/dbraw/zinc/01/32/41/519013241.db2.gz SYAAVVJNRVBIKT-CQSZACIVSA-N 2 1 359.297 2.973 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567560 519019868 /nfs/dbraw/zinc/01/98/68/519019868.db2.gz UBJZICGDMLWCLM-FBBABVLZSA-N 2 1 371.525 2.735 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000583688478 519382537 /nfs/dbraw/zinc/38/25/37/519382537.db2.gz KWULHARMUUBRML-QGZVFWFLSA-N 2 1 363.527 2.576 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)C[C@@H](C)O1 ZINC000594437282 519964383 /nfs/dbraw/zinc/96/43/83/519964383.db2.gz ASSSXXDXZSAJRN-GPMSIDNRSA-N 2 1 358.486 2.646 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000609029853 520180634 /nfs/dbraw/zinc/18/06/34/520180634.db2.gz SOXJWDGZSIQHSK-OAQYLSRUSA-N 2 1 367.493 2.882 20 30 FFEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000600754599 520448730 /nfs/dbraw/zinc/44/87/30/520448730.db2.gz FZNOWEQOYQCFRY-IBGZPJMESA-N 2 1 354.454 2.549 20 30 FFEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)c1 ZINC000602176825 521190276 /nfs/dbraw/zinc/19/02/76/521190276.db2.gz MSMNJUKKJIQENK-NRFANRHFSA-N 2 1 366.509 2.656 20 30 FFEDMP C[NH+]=C(NCc1csc(Br)c1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261963440 729655895 /nfs/dbraw/zinc/65/58/95/729655895.db2.gz KVPFLZSTPVKKCX-ZWNOBZJWSA-N 2 1 371.348 2.658 20 30 FFEDMP C[NH+]=C(NCc1cccn1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262760327 729670662 /nfs/dbraw/zinc/67/06/62/729670662.db2.gz DAYCOKOLINFOLK-MAUKXSAKSA-N 2 1 359.543 2.835 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1C ZINC000304763326 729737457 /nfs/dbraw/zinc/73/74/57/729737457.db2.gz WQZPQOBQNSMVNA-HNNXBMFYSA-N 2 1 353.308 2.646 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000779153766 738440699 /nfs/dbraw/zinc/44/06/99/738440699.db2.gz KLDMTWGINLADDB-UHFFFAOYSA-N 2 1 362.901 2.896 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000876771559 732279767 /nfs/dbraw/zinc/27/97/67/732279767.db2.gz ZDORJLUEZWLHHC-ZQIUZPCESA-N 2 1 351.878 2.704 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccccc1C#N ZINC000751010590 735836758 /nfs/dbraw/zinc/83/67/58/735836758.db2.gz IWEDGJYSTXQWSN-KRWDZBQOSA-N 2 1 359.543 2.603 20 30 FFEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000259814 742082783 /nfs/dbraw/zinc/08/27/83/742082783.db2.gz CYUYJZYJFSHOKC-OTWHNJEPSA-N 2 1 361.917 2.665 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848551641 748958185 /nfs/dbraw/zinc/95/81/85/748958185.db2.gz RSPJMELPAZHQJE-GFCCVEGCSA-N 2 1 355.276 2.769 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848551641 748958191 /nfs/dbraw/zinc/95/81/91/748958191.db2.gz RSPJMELPAZHQJE-GFCCVEGCSA-N 2 1 355.276 2.769 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC2(C)C)CC[N@H+]1C ZINC000974601119 972034144 /nfs/dbraw/zinc/03/41/44/972034144.db2.gz SPLYCRJWIPLSSR-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077350 972488559 /nfs/dbraw/zinc/48/85/59/972488559.db2.gz UYMFAHZCRSUQAQ-KURKYZTESA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077350 972488566 /nfs/dbraw/zinc/48/85/66/972488566.db2.gz UYMFAHZCRSUQAQ-KURKYZTESA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077350 972488570 /nfs/dbraw/zinc/48/85/70/972488570.db2.gz UYMFAHZCRSUQAQ-KURKYZTESA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077350 972488576 /nfs/dbraw/zinc/48/85/76/972488576.db2.gz UYMFAHZCRSUQAQ-KURKYZTESA-N 2 1 353.938 2.641 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001021262143 961339688 /nfs/dbraw/zinc/33/96/88/961339688.db2.gz HZYHSEPBOSNGPZ-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001021262143 961339703 /nfs/dbraw/zinc/33/97/03/961339703.db2.gz HZYHSEPBOSNGPZ-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001021262143 961339720 /nfs/dbraw/zinc/33/97/20/961339720.db2.gz HZYHSEPBOSNGPZ-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000873294257 1013464641 /nfs/dbraw/zinc/46/46/41/1013464641.db2.gz RDFDVBKZUPRNCI-HSZRJFAPSA-N 2 1 360.505 2.827 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261988164 965140381 /nfs/dbraw/zinc/14/03/81/965140381.db2.gz QQJJKVDZBYOXAS-HXUWFJFHSA-N 2 1 371.460 2.508 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261994867 965174547 /nfs/dbraw/zinc/17/45/47/965174547.db2.gz SEOXRDGQKURGAA-SLFFLAALSA-N 2 1 374.577 2.852 20 30 FFEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262013385 965313564 /nfs/dbraw/zinc/31/35/64/965313564.db2.gz XEORNXQLPPZCEY-CADBVGFASA-N 2 1 360.550 2.604 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000170906082 970241156 /nfs/dbraw/zinc/24/11/56/970241156.db2.gz ROOBPGPJLRHZFN-KRWDZBQOSA-N 2 1 356.470 2.920 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087840989 970532282 /nfs/dbraw/zinc/53/22/82/970532282.db2.gz XVRSULCANCSNCY-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087840989 970532288 /nfs/dbraw/zinc/53/22/88/970532288.db2.gz XVRSULCANCSNCY-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087840989 970532310 /nfs/dbraw/zinc/53/23/10/970532310.db2.gz XVRSULCANCSNCY-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106758 972824419 /nfs/dbraw/zinc/82/44/19/972824419.db2.gz PLXYXOBXAPSDMO-FUHIMQAGSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106758 972824427 /nfs/dbraw/zinc/82/44/27/972824427.db2.gz PLXYXOBXAPSDMO-FUHIMQAGSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106758 972824439 /nfs/dbraw/zinc/82/44/39/972824439.db2.gz PLXYXOBXAPSDMO-FUHIMQAGSA-N 2 1 351.510 2.555 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]2C1 ZINC001088217920 973706716 /nfs/dbraw/zinc/70/67/16/973706716.db2.gz HWLOZCZQNNBCNP-MSOLQXFVSA-N 2 1 357.498 2.539 20 30 FFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529485 975346184 /nfs/dbraw/zinc/34/61/84/975346184.db2.gz BDYSTOAHEMJXRD-VDGAXYAQSA-N 2 1 351.510 2.603 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087427095 975444562 /nfs/dbraw/zinc/44/45/62/975444562.db2.gz LDSMQYIOYLSLOF-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087427095 975444572 /nfs/dbraw/zinc/44/45/72/975444572.db2.gz LDSMQYIOYLSLOF-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087427095 975444580 /nfs/dbraw/zinc/44/45/80/975444580.db2.gz LDSMQYIOYLSLOF-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001087427095 975444585 /nfs/dbraw/zinc/44/45/85/975444585.db2.gz LDSMQYIOYLSLOF-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530432 975523412 /nfs/dbraw/zinc/52/34/12/975523412.db2.gz URTFYCYSQMDCIX-LQWHRVPQSA-N 2 1 356.514 2.548 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877399 1014407050 /nfs/dbraw/zinc/40/70/50/1014407050.db2.gz UXARJDCWHFWZME-JRYVEOFUSA-N 2 1 366.509 2.609 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877399 1014407054 /nfs/dbraw/zinc/40/70/54/1014407054.db2.gz UXARJDCWHFWZME-JRYVEOFUSA-N 2 1 366.509 2.609 20 30 FFEDMP C=C(Cl)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443491 977589390 /nfs/dbraw/zinc/58/93/90/977589390.db2.gz OMHQPQSJHAVNDT-IPMKNSEASA-N 2 1 361.917 2.665 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001211736258 977674538 /nfs/dbraw/zinc/67/45/38/977674538.db2.gz OLECTJJIJXIVPZ-FCHUYYIVSA-N 2 1 363.505 2.889 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001211736258 977674542 /nfs/dbraw/zinc/67/45/42/977674542.db2.gz OLECTJJIJXIVPZ-FCHUYYIVSA-N 2 1 363.505 2.889 20 30 FFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCS[C@@H](CC)C1 ZINC000261760713 978086079 /nfs/dbraw/zinc/08/60/79/978086079.db2.gz CXJHSZIRVRUAMX-KRWDZBQOSA-N 2 1 372.542 2.869 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206249 980138237 /nfs/dbraw/zinc/13/82/37/980138237.db2.gz KXNXCWTYWRBZCF-ARFHVFGLSA-N 2 1 363.468 2.887 20 30 FFEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620298 981860408 /nfs/dbraw/zinc/86/04/08/981860408.db2.gz CWROFNQFWPCYPM-HJNYFJLDSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620298 981860420 /nfs/dbraw/zinc/86/04/20/981860420.db2.gz CWROFNQFWPCYPM-HJNYFJLDSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620298 981860428 /nfs/dbraw/zinc/86/04/28/981860428.db2.gz CWROFNQFWPCYPM-HJNYFJLDSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620298 981860438 /nfs/dbraw/zinc/86/04/38/981860438.db2.gz CWROFNQFWPCYPM-HJNYFJLDSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088621468 981962647 /nfs/dbraw/zinc/96/26/47/981962647.db2.gz FVIMENSKSIREEO-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088621468 981962655 /nfs/dbraw/zinc/96/26/55/981962655.db2.gz FVIMENSKSIREEO-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000963944544 1014896463 /nfs/dbraw/zinc/89/64/63/1014896463.db2.gz SAWNCFSTZCWWTJ-VFUGHAIPSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCc1cc(OC)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000164377959 984353162 /nfs/dbraw/zinc/35/31/62/984353162.db2.gz PWTHJUKANYPESH-FQEVSTJZSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCc1cc(OC)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000164377959 984353165 /nfs/dbraw/zinc/35/31/65/984353165.db2.gz PWTHJUKANYPESH-FQEVSTJZSA-N 2 1 373.541 2.731 20 30 FFEDMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2)[NH+](C)C ZINC001107451283 984555239 /nfs/dbraw/zinc/55/52/39/984555239.db2.gz STDRZGXRIBBPNP-KCZVDYSFSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCC=C)CC3)CC1 ZINC001107643255 984926605 /nfs/dbraw/zinc/92/66/05/984926605.db2.gz DAJWIHNZQIJUNA-IFMALSPDSA-N 2 1 357.542 2.659 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)N(C)C)CCC[C@@H]12 ZINC001107646750 984939322 /nfs/dbraw/zinc/93/93/22/984939322.db2.gz UMHBNHQYVGXQAX-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646750 984939327 /nfs/dbraw/zinc/93/93/27/984939327.db2.gz UMHBNHQYVGXQAX-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646750 984939333 /nfs/dbraw/zinc/93/93/33/984939333.db2.gz UMHBNHQYVGXQAX-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)CC1 ZINC001088952936 985585756 /nfs/dbraw/zinc/58/57/56/985585756.db2.gz RKKCRLWYWFUYLU-UTKZUKDTSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)CC1 ZINC001088952936 985585769 /nfs/dbraw/zinc/58/57/69/985585769.db2.gz RKKCRLWYWFUYLU-UTKZUKDTSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)[C@@H]2C)CC1 ZINC001089059324 986139904 /nfs/dbraw/zinc/13/99/04/986139904.db2.gz IILQEGKIPUONJG-NQIIRXRSSA-N 2 1 359.558 2.881 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106211149 987671372 /nfs/dbraw/zinc/67/13/72/987671372.db2.gz SIEYLRNSLDKWEE-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000923336105 991075948 /nfs/dbraw/zinc/07/59/48/991075948.db2.gz QDTDMTAGZJYZEU-NHCUHLMSSA-N 2 1 350.466 2.631 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000923336105 991075957 /nfs/dbraw/zinc/07/59/57/991075957.db2.gz QDTDMTAGZJYZEU-NHCUHLMSSA-N 2 1 350.466 2.631 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079298876 991986583 /nfs/dbraw/zinc/98/65/83/991986583.db2.gz LBIYVUBMYNMWPZ-XKGZKEIXSA-N 2 1 359.489 2.770 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080310682 992943427 /nfs/dbraw/zinc/94/34/27/992943427.db2.gz ANYSEFCPRSVCTM-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080310682 992943437 /nfs/dbraw/zinc/94/34/37/992943437.db2.gz ANYSEFCPRSVCTM-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080310682 992943446 /nfs/dbraw/zinc/94/34/46/992943446.db2.gz ANYSEFCPRSVCTM-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080557506 993163174 /nfs/dbraw/zinc/16/31/74/993163174.db2.gz XKJZXDURLTVFGA-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080557506 993163180 /nfs/dbraw/zinc/16/31/80/993163180.db2.gz XKJZXDURLTVFGA-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080557506 993163182 /nfs/dbraw/zinc/16/31/82/993163182.db2.gz XKJZXDURLTVFGA-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1c1ccccc1 ZINC001081213620 993727801 /nfs/dbraw/zinc/72/78/01/993727801.db2.gz HPYMZWJSUUINFW-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001082568103 994962053 /nfs/dbraw/zinc/96/20/53/994962053.db2.gz XXIVNVOMHNJFSH-QIJUGHKUSA-N 2 1 367.537 2.844 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001082568103 994962064 /nfs/dbraw/zinc/96/20/64/994962064.db2.gz XXIVNVOMHNJFSH-QIJUGHKUSA-N 2 1 367.537 2.844 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082698671 995294601 /nfs/dbraw/zinc/29/46/01/995294601.db2.gz UOTBNHVWKNRTPK-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978094 998470131 /nfs/dbraw/zinc/47/01/31/998470131.db2.gz WSISKHYVQGRWJR-KURKYZTESA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978094 998470139 /nfs/dbraw/zinc/47/01/39/998470139.db2.gz WSISKHYVQGRWJR-KURKYZTESA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978094 998470147 /nfs/dbraw/zinc/47/01/47/998470147.db2.gz WSISKHYVQGRWJR-KURKYZTESA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978094 998470153 /nfs/dbraw/zinc/47/01/53/998470153.db2.gz WSISKHYVQGRWJR-KURKYZTESA-N 2 1 353.938 2.782 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001085309574 999338757 /nfs/dbraw/zinc/33/87/57/999338757.db2.gz WVLXAYWUGPXAMR-VRXWPRPYSA-N 2 1 368.525 2.806 20 30 FFEDMP C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847030873 1000524414 /nfs/dbraw/zinc/52/44/14/1000524414.db2.gz OMJUSKGLZDPTIL-OALUTQOASA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469974 1000524959 /nfs/dbraw/zinc/52/49/59/1000524959.db2.gz PMPQPMYGAYRUDW-RNQOJCNYSA-N 2 1 356.514 2.984 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095498776 1016511512 /nfs/dbraw/zinc/51/15/12/1016511512.db2.gz DQLAMBIHWDYTFO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095498776 1016511524 /nfs/dbraw/zinc/51/15/24/1016511524.db2.gz DQLAMBIHWDYTFO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001095498776 1016511533 /nfs/dbraw/zinc/51/15/33/1016511533.db2.gz DQLAMBIHWDYTFO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001095498776 1016511539 /nfs/dbraw/zinc/51/15/39/1016511539.db2.gz DQLAMBIHWDYTFO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001182700880 1002016036 /nfs/dbraw/zinc/01/60/36/1002016036.db2.gz COYVJBFJEXFYNA-WRHDZBKDSA-N 2 1 369.553 2.982 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589138 1002436887 /nfs/dbraw/zinc/43/68/87/1002436887.db2.gz JVBSTGFNNHCVPA-AYWYSENESA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589138 1002436888 /nfs/dbraw/zinc/43/68/88/1002436888.db2.gz JVBSTGFNNHCVPA-AYWYSENESA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589138 1002436895 /nfs/dbraw/zinc/43/68/95/1002436895.db2.gz JVBSTGFNNHCVPA-AYWYSENESA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086592121 1002524192 /nfs/dbraw/zinc/52/41/92/1002524192.db2.gz WTKLQXMJALMTTM-ZCNNSNEGSA-N 2 1 364.493 2.921 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086592121 1002524199 /nfs/dbraw/zinc/52/41/99/1002524199.db2.gz WTKLQXMJALMTTM-ZCNNSNEGSA-N 2 1 364.493 2.921 20 30 FFEDMP C=CCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184401236 1002590945 /nfs/dbraw/zinc/59/09/45/1002590945.db2.gz IBUCNNKXIQSPRZ-GOSISDBHSA-N 2 1 361.917 2.882 20 30 FFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445630 1004172336 /nfs/dbraw/zinc/17/23/36/1004172336.db2.gz MXOSZIQPJQPCEM-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445630 1004172342 /nfs/dbraw/zinc/17/23/42/1004172342.db2.gz MXOSZIQPJQPCEM-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445630 1004172347 /nfs/dbraw/zinc/17/23/47/1004172347.db2.gz MXOSZIQPJQPCEM-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001489036049 1005399412 /nfs/dbraw/zinc/39/94/12/1005399412.db2.gz WLHACYVRKAXDEC-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863279 1007559547 /nfs/dbraw/zinc/55/95/47/1007559547.db2.gz VBJQJJIGWFYVTP-SFHLNBCPSA-N 2 1 355.526 2.643 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000859524855 1008542497 /nfs/dbraw/zinc/54/24/97/1008542497.db2.gz KOWKFBOKMVGDPB-HXUWFJFHSA-N 2 1 373.928 2.908 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000859524855 1008542512 /nfs/dbraw/zinc/54/25/12/1008542512.db2.gz KOWKFBOKMVGDPB-HXUWFJFHSA-N 2 1 373.928 2.908 20 30 FFEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001179654827 1009384951 /nfs/dbraw/zinc/38/49/51/1009384951.db2.gz OBNKELDZVDILDT-RTWAWAEBSA-N 2 1 355.526 2.621 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001093224459 1010167646 /nfs/dbraw/zinc/16/76/46/1010167646.db2.gz WVZFQULWJXYKLU-WOIUINJBSA-N 2 1 367.537 2.777 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001093806284 1010582408 /nfs/dbraw/zinc/58/24/08/1010582408.db2.gz UWVVSWGKVGDQNB-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC001093833081 1010603573 /nfs/dbraw/zinc/60/35/73/1010603573.db2.gz QFENYXMCHODWDX-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC001093833081 1010603578 /nfs/dbraw/zinc/60/35/78/1010603578.db2.gz QFENYXMCHODWDX-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN(C3CC3)C(=O)C2)c1 ZINC001172004747 1011561734 /nfs/dbraw/zinc/56/17/34/1011561734.db2.gz LZYBMKDJXDRGHK-JBACZVJFSA-N 2 1 366.509 2.784 20 30 FFEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC001172176843 1011684706 /nfs/dbraw/zinc/68/47/06/1011684706.db2.gz WDKWGHIMMJPFKU-XRXFAXGQSA-N 2 1 366.509 2.784 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276338314 1011945042 /nfs/dbraw/zinc/94/50/42/1011945042.db2.gz HZWVTYDKSITABG-RBBKRZOGSA-N 2 1 355.526 2.832 20 30 FFEDMP CCCCCCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275119949 1011970461 /nfs/dbraw/zinc/97/04/61/1011970461.db2.gz ZCANONYMGCGHNR-OAQYLSRUSA-N 2 1 367.578 2.850 20 30 FFEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(CC3CC3)CC2)C[C@H]1C#N ZINC001172975263 1012144408 /nfs/dbraw/zinc/14/44/08/1012144408.db2.gz YCQDMYJXNMODOU-IRXDYDNUSA-N 2 1 362.518 2.871 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981913 1012151758 /nfs/dbraw/zinc/15/17/58/1012151758.db2.gz PSWSAIXCFHOBNK-DZVNLGKHSA-N 2 1 362.518 2.883 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981913 1012151769 /nfs/dbraw/zinc/15/17/69/1012151769.db2.gz PSWSAIXCFHOBNK-DZVNLGKHSA-N 2 1 362.518 2.883 20 30 FFEDMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(C)(C#N)CC1)CCC2 ZINC001173595010 1012767014 /nfs/dbraw/zinc/76/70/14/1012767014.db2.gz POMSIZYPYSOCJF-UHFFFAOYSA-N 2 1 371.529 2.763 20 30 FFEDMP CN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000827685473 1018611718 /nfs/dbraw/zinc/61/17/18/1018611718.db2.gz NKISKQCRPXKYPK-PMACEKPBSA-N 2 1 373.566 2.895 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001096106095 1020689481 /nfs/dbraw/zinc/68/94/81/1020689481.db2.gz JDXLRRRNMKUGPG-HKBOAZHASA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099112027 1021832147 /nfs/dbraw/zinc/83/21/47/1021832147.db2.gz ZUGIJNBKOGNKLE-ICSRJNTNSA-N 2 1 365.949 2.832 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001099112027 1021832160 /nfs/dbraw/zinc/83/21/60/1021832160.db2.gz ZUGIJNBKOGNKLE-ICSRJNTNSA-N 2 1 365.949 2.832 20 30 FFEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017981682 1022328758 /nfs/dbraw/zinc/32/87/58/1022328758.db2.gz SATRIYHXOOKPCD-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017981682 1022328774 /nfs/dbraw/zinc/32/87/74/1022328774.db2.gz SATRIYHXOOKPCD-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017981682 1022328791 /nfs/dbraw/zinc/32/87/91/1022328791.db2.gz SATRIYHXOOKPCD-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001122401769 1023246263 /nfs/dbraw/zinc/24/62/63/1023246263.db2.gz FMUJNHMPJIGBNQ-IAGOWNOFSA-N 2 1 360.550 2.582 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111298505 1023673088 /nfs/dbraw/zinc/67/30/88/1023673088.db2.gz ANIUILSTQOTYRO-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372358 1025830589 /nfs/dbraw/zinc/83/05/89/1025830589.db2.gz FBBSWJPUGVUHLL-SIIHOXLZSA-N 2 1 359.917 2.636 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372358 1025830611 /nfs/dbraw/zinc/83/06/11/1025830611.db2.gz FBBSWJPUGVUHLL-SIIHOXLZSA-N 2 1 359.917 2.636 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372358 1025830625 /nfs/dbraw/zinc/83/06/25/1025830625.db2.gz FBBSWJPUGVUHLL-SIIHOXLZSA-N 2 1 359.917 2.636 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376933 1025845554 /nfs/dbraw/zinc/84/55/54/1025845554.db2.gz DYISBJHBRJXCFE-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376933 1025845566 /nfs/dbraw/zinc/84/55/66/1025845566.db2.gz DYISBJHBRJXCFE-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376933 1025845590 /nfs/dbraw/zinc/84/55/90/1025845590.db2.gz DYISBJHBRJXCFE-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C#C[C@H]1CCC[N@H+](Cc2[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c2C)C1 ZINC001141574989 1026604156 /nfs/dbraw/zinc/60/41/56/1026604156.db2.gz KLQPLJWELHUFIM-SFHVURJKSA-N 2 1 358.530 2.548 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083814 1026944895 /nfs/dbraw/zinc/94/48/95/1026944895.db2.gz KNAIZSQWMQGVKA-NXHRZFHOSA-N 2 1 355.954 2.791 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083814 1026944902 /nfs/dbraw/zinc/94/49/02/1026944902.db2.gz KNAIZSQWMQGVKA-NXHRZFHOSA-N 2 1 355.954 2.791 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083814 1026944912 /nfs/dbraw/zinc/94/49/12/1026944912.db2.gz KNAIZSQWMQGVKA-NXHRZFHOSA-N 2 1 355.954 2.791 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001164576088 1029328326 /nfs/dbraw/zinc/32/83/26/1029328326.db2.gz NJKNWBVHTWMXSW-VQTJNVASSA-N 2 1 368.525 2.665 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@@H]3CCC[N@H+]3C)[nH]n1)C2 ZINC001112360837 1030655999 /nfs/dbraw/zinc/65/59/99/1030655999.db2.gz NOXQQLNMTAOOOG-LRQRDZAKSA-N 2 1 371.529 2.584 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@@H]3CCC[N@@H+]3C)[nH]n1)C2 ZINC001112360837 1030656003 /nfs/dbraw/zinc/65/60/03/1030656003.db2.gz NOXQQLNMTAOOOG-LRQRDZAKSA-N 2 1 371.529 2.584 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205292700 1031653456 /nfs/dbraw/zinc/65/34/56/1031653456.db2.gz NQNSIAUGWYCJIW-LEWJYISDSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001151131926 1031861694 /nfs/dbraw/zinc/86/16/94/1031861694.db2.gz JREBRQGYBFEMRN-RBUKOAKNSA-N 2 1 365.562 2.670 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922775 1033891980 /nfs/dbraw/zinc/89/19/80/1033891980.db2.gz GKHXGAZHEFDNHW-MOPGFXCFSA-N 2 1 367.578 2.771 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922775 1033891995 /nfs/dbraw/zinc/89/19/95/1033891995.db2.gz GKHXGAZHEFDNHW-MOPGFXCFSA-N 2 1 367.578 2.771 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922775 1033892010 /nfs/dbraw/zinc/89/20/10/1033892010.db2.gz GKHXGAZHEFDNHW-MOPGFXCFSA-N 2 1 367.578 2.771 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1O ZINC001138629516 1034481161 /nfs/dbraw/zinc/48/11/61/1034481161.db2.gz BNXBNZZRYVJBKK-LJQANCHMSA-N 2 1 372.509 2.970 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1O ZINC001138629516 1034481168 /nfs/dbraw/zinc/48/11/68/1034481168.db2.gz BNXBNZZRYVJBKK-LJQANCHMSA-N 2 1 372.509 2.970 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000836489048 1036585957 /nfs/dbraw/zinc/58/59/57/1036585957.db2.gz VAAINXVUJJGTPA-CTNGQTDRSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489048 1036585969 /nfs/dbraw/zinc/58/59/69/1036585969.db2.gz VAAINXVUJJGTPA-CTNGQTDRSA-N 2 1 370.541 2.541 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229851957 1036933964 /nfs/dbraw/zinc/93/39/64/1036933964.db2.gz AXPUAAMDTPURBF-WOJBJXKFSA-N 2 1 356.514 2.807 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215369 1037154198 /nfs/dbraw/zinc/15/41/98/1037154198.db2.gz OBYNJYOHUBJSDI-QRVBRYPASA-N 2 1 353.551 2.695 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215369 1037154206 /nfs/dbraw/zinc/15/42/06/1037154206.db2.gz OBYNJYOHUBJSDI-QRVBRYPASA-N 2 1 353.551 2.695 20 30 FFEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)cc2)cc1 ZINC001236077506 1037920793 /nfs/dbraw/zinc/92/07/93/1037920793.db2.gz ISLUISZIAMVIDQ-HXUWFJFHSA-N 2 1 362.477 2.958 20 30 FFEDMP C=CCN1CC[C@@]2(C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001208607480 1038441582 /nfs/dbraw/zinc/44/15/82/1038441582.db2.gz LGKYFJDPVPWPIU-WPYKKVEZSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001208607480 1038441586 /nfs/dbraw/zinc/44/15/86/1038441586.db2.gz LGKYFJDPVPWPIU-WPYKKVEZSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001208607480 1038441589 /nfs/dbraw/zinc/44/15/89/1038441589.db2.gz LGKYFJDPVPWPIU-WPYKKVEZSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001251528623 1039167623 /nfs/dbraw/zinc/16/76/23/1039167623.db2.gz PTNIUYZKCSPWLP-UHFFFAOYSA-N 2 1 370.541 2.543 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246028832 1039203616 /nfs/dbraw/zinc/20/36/16/1039203616.db2.gz LDGYNBCQABEZLO-ZJOUEHCJSA-N 2 1 366.546 2.739 20 30 FFEDMP C#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](COCCOC)C3)CC2)cc1 ZINC001278436188 1039279685 /nfs/dbraw/zinc/27/96/85/1039279685.db2.gz APAYYHUSFKALLW-UHFFFAOYSA-N 2 1 356.510 2.966 20 30 FFEDMP C#Cc1ccc(C[NH+]2CCC3(CCC[N@H+](COCCOC)C3)CC2)cc1 ZINC001278436188 1039279702 /nfs/dbraw/zinc/27/97/02/1039279702.db2.gz APAYYHUSFKALLW-UHFFFAOYSA-N 2 1 356.510 2.966 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001252465370 1039546189 /nfs/dbraw/zinc/54/61/89/1039546189.db2.gz FZAXJRKQMIGXGY-MRXNPFEDSA-N 2 1 361.873 2.574 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001278680650 1039685330 /nfs/dbraw/zinc/68/53/30/1039685330.db2.gz DFIGAPDIRBNBEB-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001278680650 1039685339 /nfs/dbraw/zinc/68/53/39/1039685339.db2.gz DFIGAPDIRBNBEB-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001253237020 1040061745 /nfs/dbraw/zinc/06/17/45/1040061745.db2.gz HNTQIJZLERZNSX-NJDAHSKKSA-N 2 1 368.562 2.543 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253237020 1040061757 /nfs/dbraw/zinc/06/17/57/1040061757.db2.gz HNTQIJZLERZNSX-NJDAHSKKSA-N 2 1 368.562 2.543 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253237020 1040061766 /nfs/dbraw/zinc/06/17/66/1040061766.db2.gz HNTQIJZLERZNSX-NJDAHSKKSA-N 2 1 368.562 2.543 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374809 1040119888 /nfs/dbraw/zinc/11/98/88/1040119888.db2.gz OUQPXKCUSXXQQX-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443905 1040203360 /nfs/dbraw/zinc/20/33/60/1040203360.db2.gz KDTPXDLOJSPZEP-IFMALSPDSA-N 2 1 367.537 2.741 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443905 1040203369 /nfs/dbraw/zinc/20/33/69/1040203369.db2.gz KDTPXDLOJSPZEP-IFMALSPDSA-N 2 1 367.537 2.741 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454344 /nfs/dbraw/zinc/45/43/44/1040454344.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454350 /nfs/dbraw/zinc/45/43/50/1040454350.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454359 /nfs/dbraw/zinc/45/43/59/1040454359.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434860 1040548728 /nfs/dbraw/zinc/54/87/28/1040548728.db2.gz NRRTUSPRKUTSSH-CEXWTWQISA-N 2 1 353.551 2.669 20 30 FFEDMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CC[C@H](C#N)C3)O2)CC1 ZINC001254665308 1040865749 /nfs/dbraw/zinc/86/57/49/1040865749.db2.gz ZRAWNWCFBLASEZ-WRTQPQOASA-N 2 1 361.530 2.659 20 30 FFEDMP C#CCCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132112 1041164987 /nfs/dbraw/zinc/16/49/87/1041164987.db2.gz RQSYZRWOQWINSA-LRSLUSHPSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CCCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132112 1041164991 /nfs/dbraw/zinc/16/49/91/1041164991.db2.gz RQSYZRWOQWINSA-LRSLUSHPSA-N 2 1 365.521 2.786 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]3CC2)cc1C#N ZINC001279286187 1042983992 /nfs/dbraw/zinc/98/39/92/1042983992.db2.gz GSYMIWWXFAHRTG-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cncs4)C[C@H]3CC2)cc1C#N ZINC001279286187 1042983994 /nfs/dbraw/zinc/98/39/94/1042983994.db2.gz GSYMIWWXFAHRTG-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cncs4)C[C@H]3CC2)cc1C#N ZINC001279286187 1042983996 /nfs/dbraw/zinc/98/39/96/1042983996.db2.gz GSYMIWWXFAHRTG-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP CCCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001279866914 1043799324 /nfs/dbraw/zinc/79/93/24/1043799324.db2.gz VEAICDHRFBESHP-IBGZPJMESA-N 2 1 365.562 2.743 20 30 FFEDMP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319609881 1045213749 /nfs/dbraw/zinc/21/37/49/1045213749.db2.gz PGFFQZWWLWLTFG-LSTHTHJFSA-N 2 1 356.514 2.519 20 30 FFEDMP Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc2c[nH+]cn21 ZINC001319876393 1045291434 /nfs/dbraw/zinc/29/14/34/1045291434.db2.gz CUGRGBHAVWVXPC-UHFFFAOYSA-N 2 1 373.460 2.863 20 30 FFEDMP Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc2c[nH+]cn21 ZINC001319876393 1045291440 /nfs/dbraw/zinc/29/14/40/1045291440.db2.gz CUGRGBHAVWVXPC-UHFFFAOYSA-N 2 1 373.460 2.863 20 30 FFEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001282059126 1045331094 /nfs/dbraw/zinc/33/10/94/1045331094.db2.gz VXRMZBJNPSROEN-AWRGBYNESA-N 2 1 361.917 2.569 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001539549182 1070656997 /nfs/dbraw/zinc/65/69/97/1070656997.db2.gz WKYHZXRLHUYTDS-OAQYLSRUSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001539549182 1070657001 /nfs/dbraw/zinc/65/70/01/1070657001.db2.gz WKYHZXRLHUYTDS-OAQYLSRUSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001539549182 1070657007 /nfs/dbraw/zinc/65/70/07/1070657007.db2.gz WKYHZXRLHUYTDS-OAQYLSRUSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001539549182 1070657013 /nfs/dbraw/zinc/65/70/13/1070657013.db2.gz WKYHZXRLHUYTDS-OAQYLSRUSA-N 2 1 368.525 2.713 20 30 FFEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001327478220 1047915028 /nfs/dbraw/zinc/91/50/28/1047915028.db2.gz HKHUZKKDUQEROH-RTWAWAEBSA-N 2 1 367.537 2.716 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001316651849 1049406239 /nfs/dbraw/zinc/40/62/39/1049406239.db2.gz CJKZFWVZKNQSJL-HBMCJLEFSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001346526131 1053073065 /nfs/dbraw/zinc/07/30/65/1053073065.db2.gz GGXMCYXPJOCGKM-GOSISDBHSA-N 2 1 374.577 2.974 20 30 FFEDMP C#CCOc1ccccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847766524 1056568744 /nfs/dbraw/zinc/56/87/44/1056568744.db2.gz QXUFZZMXHNVCND-UHFFFAOYSA-N 2 1 369.509 2.833 20 30 FFEDMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001507024348 1059594160 /nfs/dbraw/zinc/59/41/60/1059594160.db2.gz KLQPMHDKGVRLIO-QHAWAJNXSA-N 2 1 355.526 2.735 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001479580283 1062577874 /nfs/dbraw/zinc/57/78/74/1062577874.db2.gz FRTNHHALJLUASC-XLIONFOSSA-N 2 1 356.514 2.617 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001479729987 1062972126 /nfs/dbraw/zinc/97/21/26/1062972126.db2.gz QCQQOHXRFZANKZ-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001479729987 1062972152 /nfs/dbraw/zinc/97/21/52/1062972152.db2.gz QCQQOHXRFZANKZ-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001468831735 1064045779 /nfs/dbraw/zinc/04/57/79/1064045779.db2.gz REOKYSSQYDOKMQ-PKOBYXMFSA-N 2 1 356.514 2.513 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001468831735 1064045781 /nfs/dbraw/zinc/04/57/81/1064045781.db2.gz REOKYSSQYDOKMQ-PKOBYXMFSA-N 2 1 356.514 2.513 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575047471 1078099408 /nfs/dbraw/zinc/09/94/08/1078099408.db2.gz ASXAKMAFIKFPJL-DBXWQHBBSA-N 2 1 354.498 2.773 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575047471 1078099412 /nfs/dbraw/zinc/09/94/12/1078099412.db2.gz ASXAKMAFIKFPJL-DBXWQHBBSA-N 2 1 354.498 2.773 20 30 FFEDMP CC(C)N(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001575681495 1078163549 /nfs/dbraw/zinc/16/35/49/1078163549.db2.gz NGHGJNUJOGFIFK-NRFANRHFSA-N 2 1 353.510 2.501 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927126 1078716046 /nfs/dbraw/zinc/71/60/46/1078716046.db2.gz KQNSQXIPEAZMEI-BHYGNILZSA-N 2 1 358.486 2.807 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927126 1078716055 /nfs/dbraw/zinc/71/60/55/1078716055.db2.gz KQNSQXIPEAZMEI-BHYGNILZSA-N 2 1 358.486 2.807 20 30 FFEDMP CC(C)(C)[C@]1(C[NH2+][C@@H]2CCCN(O)C2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001560912897 1076309427 /nfs/dbraw/zinc/30/94/27/1076309427.db2.gz NYFIPCZUKDBXBG-NQIIRXRSSA-N 2 1 359.514 2.895 20 30 FFEDMP CC(C)(C)[C@]1(C[NH2+][C@@H]2CCCN(O)C2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001560912897 1076309433 /nfs/dbraw/zinc/30/94/33/1076309433.db2.gz NYFIPCZUKDBXBG-NQIIRXRSSA-N 2 1 359.514 2.895 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001569320309 1077138960 /nfs/dbraw/zinc/13/89/60/1077138960.db2.gz QCXNORCZRIGFEN-QHAWAJNXSA-N 2 1 355.526 2.782 20 30 FFEDMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000073107952 507893916 /nfs/dbraw/zinc/89/39/16/507893916.db2.gz MNWSCCFOBKIXCJ-UHFFFAOYSA-N 2 1 367.497 2.859 20 30 FFEDMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000074223407 507999705 /nfs/dbraw/zinc/99/97/05/507999705.db2.gz KZDBILGWFBOASK-UHFFFAOYSA-N 2 1 367.497 2.859 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142918 508298726 /nfs/dbraw/zinc/29/87/26/508298726.db2.gz WUOFANRYUSKHDD-IBGZPJMESA-N 2 1 370.541 2.839 20 30 FFEDMP N#CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000128089214 508545635 /nfs/dbraw/zinc/54/56/35/508545635.db2.gz BQTLLBMFNPELQV-PWAJEDTMSA-N 2 1 353.510 2.968 20 30 FFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000248866297 509518181 /nfs/dbraw/zinc/51/81/81/509518181.db2.gz QDHPXDNABPLHJX-AHRSYUTCSA-N 2 1 354.498 2.556 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C[NH+](C)C)C3)sc2C1 ZINC000265182646 509906874 /nfs/dbraw/zinc/90/68/74/509906874.db2.gz WTMIVNTZHPITGH-HUUCEWRRSA-N 2 1 374.554 2.957 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C[NH+](C)C)C3)sc2C1 ZINC000265182646 509906879 /nfs/dbraw/zinc/90/68/79/509906879.db2.gz WTMIVNTZHPITGH-HUUCEWRRSA-N 2 1 374.554 2.957 20 30 FFEDMP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000190535982 510189473 /nfs/dbraw/zinc/18/94/73/510189473.db2.gz HBAHNACLVVBVKC-FQEVSTJZSA-N 2 1 368.481 2.713 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000180984270 510222476 /nfs/dbraw/zinc/22/24/76/510222476.db2.gz RDXKALDOZLSEBX-QFIPXVFZSA-N 2 1 364.489 2.945 20 30 FFEDMP C=C(C)C[N@@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000181293709 510342587 /nfs/dbraw/zinc/34/25/87/510342587.db2.gz RNYPUCUPQUUWSQ-HXUWFJFHSA-N 2 1 359.514 2.846 20 30 FFEDMP C=C(C)C[N@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000181293709 510342591 /nfs/dbraw/zinc/34/25/91/510342591.db2.gz RNYPUCUPQUUWSQ-HXUWFJFHSA-N 2 1 359.514 2.846 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000246274296 510399758 /nfs/dbraw/zinc/39/97/58/510399758.db2.gz JGCHFXKCCZVBDM-GBESFXJTSA-N 2 1 350.551 2.667 20 30 FFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247531123 510864621 /nfs/dbraw/zinc/86/46/21/510864621.db2.gz OEZIUOKIBKFTLS-PZJWPPBQSA-N 2 1 358.526 2.963 20 30 FFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247531123 510864622 /nfs/dbraw/zinc/86/46/22/510864622.db2.gz OEZIUOKIBKFTLS-PZJWPPBQSA-N 2 1 358.526 2.963 20 30 FFEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000330183759 510932530 /nfs/dbraw/zinc/93/25/30/510932530.db2.gz ICRRDJVWNFLVIB-HNNXBMFYSA-N 2 1 364.453 2.868 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274788845 511942270 /nfs/dbraw/zinc/94/22/70/511942270.db2.gz BOLMWCYEESOLGH-YFVAEKQCSA-N 2 1 356.514 2.541 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274788845 511942275 /nfs/dbraw/zinc/94/22/75/511942275.db2.gz BOLMWCYEESOLGH-YFVAEKQCSA-N 2 1 356.514 2.541 20 30 FFEDMP C[C@H](NC(=O)N1CC[C@H](c2nccn2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329328980 512027624 /nfs/dbraw/zinc/02/76/24/512027624.db2.gz XZMBZYNAWNGVFH-BBWFWOEESA-N 2 1 359.518 2.776 20 30 FFEDMP C[C@H](NC([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1=CC[N@@H+](C)CC1 ZINC000329324040 512027867 /nfs/dbraw/zinc/02/78/67/512027867.db2.gz VJRVZOQULVCLKP-HOCLYGCPSA-N 2 1 359.518 2.649 20 30 FFEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000329826559 512101926 /nfs/dbraw/zinc/10/19/26/512101926.db2.gz CJRHOEHDCLSRJD-IRXDYDNUSA-N 2 1 372.513 2.925 20 30 FFEDMP C=C(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000411552651 512686259 /nfs/dbraw/zinc/68/62/59/512686259.db2.gz PSCYJJZGYDFWJL-LJQANCHMSA-N 2 1 351.441 2.772 20 30 FFEDMP COc1ccc(C#N)cc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370687778 513052890 /nfs/dbraw/zinc/05/28/90/513052890.db2.gz FTKSCWFPWGFNQW-UHFFFAOYSA-N 2 1 356.514 2.557 20 30 FFEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424166018 514404672 /nfs/dbraw/zinc/40/46/72/514404672.db2.gz FTVFSZAMRLYCKV-SQNIBIBYSA-N 2 1 364.440 2.626 20 30 FFEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424166018 514404679 /nfs/dbraw/zinc/40/46/79/514404679.db2.gz FTVFSZAMRLYCKV-SQNIBIBYSA-N 2 1 364.440 2.626 20 30 FFEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000503184409 514946699 /nfs/dbraw/zinc/94/66/99/514946699.db2.gz ZWAFSTOLTYSINW-UXHICEINSA-N 2 1 356.514 2.665 20 30 FFEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000481925081 515514098 /nfs/dbraw/zinc/51/40/98/515514098.db2.gz LZZLHATZVYKTRQ-QUCCMNQESA-N 2 1 354.498 2.503 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454529456 515554508 /nfs/dbraw/zinc/55/45/08/515554508.db2.gz AESYXFKEBDSHAC-IBGZPJMESA-N 2 1 370.541 2.800 20 30 FFEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000469583427 515877542 /nfs/dbraw/zinc/87/75/42/515877542.db2.gz UFUFPBNULCQMPD-SFHVURJKSA-N 2 1 368.525 2.781 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738370 516110249 /nfs/dbraw/zinc/11/02/49/516110249.db2.gz GBCZRLLNSVXDBD-PZJWPPBQSA-N 2 1 362.562 2.812 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H](OCC2CC2)C1)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000551736209 516847953 /nfs/dbraw/zinc/84/79/53/516847953.db2.gz YBCWLDZHGGUTRG-FGZHOGPDSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@@H](OCC2CC2)C1)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000551736209 516847965 /nfs/dbraw/zinc/84/79/65/516847965.db2.gz YBCWLDZHGGUTRG-FGZHOGPDSA-N 2 1 360.542 2.772 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563237771 517761727 /nfs/dbraw/zinc/76/17/27/517761727.db2.gz ORCWFYDKOZYSHR-NRFANRHFSA-N 2 1 356.514 2.601 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000521862748 517879277 /nfs/dbraw/zinc/87/92/77/517879277.db2.gz JYNBTCLGZDWUAX-INIZCTEOSA-N 2 1 358.404 2.685 20 30 FFEDMP C=CCN(CC=C)C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000557529959 518057982 /nfs/dbraw/zinc/05/79/82/518057982.db2.gz NUMDCMDOHXOKSS-RTWAWAEBSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000557529959 518057987 /nfs/dbraw/zinc/05/79/87/518057987.db2.gz NUMDCMDOHXOKSS-RTWAWAEBSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000557529959 518057996 /nfs/dbraw/zinc/05/79/96/518057996.db2.gz NUMDCMDOHXOKSS-RTWAWAEBSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000557529959 518058002 /nfs/dbraw/zinc/05/80/02/518058002.db2.gz NUMDCMDOHXOKSS-RTWAWAEBSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000557529959 518058010 /nfs/dbraw/zinc/05/80/10/518058010.db2.gz NUMDCMDOHXOKSS-RTWAWAEBSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000566941756 518276345 /nfs/dbraw/zinc/27/63/45/518276345.db2.gz UENURJKJINXYSH-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP C=CCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000566941756 518276352 /nfs/dbraw/zinc/27/63/52/518276352.db2.gz UENURJKJINXYSH-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108214 518432524 /nfs/dbraw/zinc/43/25/24/518432524.db2.gz QYWVIGUKMDOPBD-HKUYNNGSSA-N 2 1 374.492 2.991 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000594440553 519966968 /nfs/dbraw/zinc/96/69/68/519966968.db2.gz FFNAHZKGYGCJKF-SFHVURJKSA-N 2 1 362.905 2.786 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000594440553 519966977 /nfs/dbraw/zinc/96/69/77/519966977.db2.gz FFNAHZKGYGCJKF-SFHVURJKSA-N 2 1 362.905 2.786 20 30 FFEDMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594454217 519974092 /nfs/dbraw/zinc/97/40/92/519974092.db2.gz UWLSBVLCPICMCM-PNYFIKQUSA-N 2 1 356.514 2.908 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599293892 521132136 /nfs/dbraw/zinc/13/21/36/521132136.db2.gz APWMWCBJNWWKAT-AABGKKOBSA-N 2 1 363.546 2.644 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974854 732306070 /nfs/dbraw/zinc/30/60/70/732306070.db2.gz VQFAYIVUNWLLGS-QZTJIDSGSA-N 2 1 361.917 2.875 20 30 FFEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000764626355 737036722 /nfs/dbraw/zinc/03/67/22/737036722.db2.gz ZMTVJJNASGOVKX-YOEHRIQHSA-N 2 1 353.869 2.706 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078486 972505811 /nfs/dbraw/zinc/50/58/11/972505811.db2.gz IXUWWBDANISYGT-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078486 972505822 /nfs/dbraw/zinc/50/58/22/972505822.db2.gz IXUWWBDANISYGT-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078486 972505839 /nfs/dbraw/zinc/50/58/39/972505839.db2.gz IXUWWBDANISYGT-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C=CC[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001174890230 1013325184 /nfs/dbraw/zinc/32/51/84/1013325184.db2.gz GBMDJCPJBUIKDI-FQEVSTJZSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CC[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001174890230 1013325188 /nfs/dbraw/zinc/32/51/88/1013325188.db2.gz GBMDJCPJBUIKDI-FQEVSTJZSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CC[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001174890230 1013325195 /nfs/dbraw/zinc/32/51/95/1013325195.db2.gz GBMDJCPJBUIKDI-FQEVSTJZSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371826 964450404 /nfs/dbraw/zinc/45/04/04/964450404.db2.gz ILDFSJIUBVIMEN-BRWVUGGUSA-N 2 1 362.518 2.779 20 30 FFEDMP C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087467661 965123557 /nfs/dbraw/zinc/12/35/57/965123557.db2.gz IYWCNMPRUNYNQZ-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001087467661 965123572 /nfs/dbraw/zinc/12/35/72/965123572.db2.gz IYWCNMPRUNYNQZ-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087467661 965123577 /nfs/dbraw/zinc/12/35/77/965123577.db2.gz IYWCNMPRUNYNQZ-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087467661 965123594 /nfs/dbraw/zinc/12/35/94/965123594.db2.gz IYWCNMPRUNYNQZ-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001087190906 965597480 /nfs/dbraw/zinc/59/74/80/965597480.db2.gz LJFHHGRGRFCHOC-ZBFHGGJFSA-N 2 1 371.510 2.542 20 30 FFEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000262453366 968177884 /nfs/dbraw/zinc/17/78/84/968177884.db2.gz KHPWOVGGAKCISW-ICSRJNTNSA-N 2 1 364.493 2.937 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001087593506 968284687 /nfs/dbraw/zinc/28/46/87/968284687.db2.gz JEASTEPEUMFRHP-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001087593506 968284690 /nfs/dbraw/zinc/28/46/90/968284690.db2.gz JEASTEPEUMFRHP-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001087593506 968284700 /nfs/dbraw/zinc/28/47/00/968284700.db2.gz JEASTEPEUMFRHP-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088163792 973270104 /nfs/dbraw/zinc/27/01/04/973270104.db2.gz GFVJXSALXYPTPV-MOPGFXCFSA-N 2 1 365.949 2.641 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088163792 973270111 /nfs/dbraw/zinc/27/01/11/973270111.db2.gz GFVJXSALXYPTPV-MOPGFXCFSA-N 2 1 365.949 2.641 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674496 974902511 /nfs/dbraw/zinc/90/25/11/974902511.db2.gz FGIZMKHGAPOIMV-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCC1 ZINC001268040131 975129015 /nfs/dbraw/zinc/12/90/15/975129015.db2.gz ZCVFTCPENHGRHA-UXHICEINSA-N 2 1 355.526 2.927 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764340 976970953 /nfs/dbraw/zinc/97/09/53/976970953.db2.gz QNXKAOOPQUCGTQ-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764340 976970960 /nfs/dbraw/zinc/97/09/60/976970960.db2.gz QNXKAOOPQUCGTQ-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764340 976970969 /nfs/dbraw/zinc/97/09/69/976970969.db2.gz QNXKAOOPQUCGTQ-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000982028765 977159490 /nfs/dbraw/zinc/15/94/90/977159490.db2.gz KDQARITWHTYOPI-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000982028765 977159498 /nfs/dbraw/zinc/15/94/98/977159498.db2.gz KDQARITWHTYOPI-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000982028765 977159505 /nfs/dbraw/zinc/15/95/05/977159505.db2.gz KDQARITWHTYOPI-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP N#Cc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915523 980880652 /nfs/dbraw/zinc/88/06/52/980880652.db2.gz JGWLHTOMSCCJDR-IBGZPJMESA-N 2 1 371.444 2.797 20 30 FFEDMP N#Cc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915523 980880656 /nfs/dbraw/zinc/88/06/56/980880656.db2.gz JGWLHTOMSCCJDR-IBGZPJMESA-N 2 1 371.444 2.797 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213720 981405565 /nfs/dbraw/zinc/40/55/65/981405565.db2.gz QQOVRUJOPIQHNR-AQNXPRMDSA-N 2 1 365.562 2.647 20 30 FFEDMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2)[NH+](C)C ZINC001107450064 984551858 /nfs/dbraw/zinc/55/18/58/984551858.db2.gz ATWWTJMMKYZTFW-KCZVDYSFSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549597 984667484 /nfs/dbraw/zinc/66/74/84/984667484.db2.gz BNDOYHDHGXHJPP-DUXKGJEZSA-N 2 1 363.521 2.583 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549597 984667488 /nfs/dbraw/zinc/66/74/88/984667488.db2.gz BNDOYHDHGXHJPP-DUXKGJEZSA-N 2 1 363.521 2.583 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549597 984667491 /nfs/dbraw/zinc/66/74/91/984667491.db2.gz BNDOYHDHGXHJPP-DUXKGJEZSA-N 2 1 363.521 2.583 20 30 FFEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000922389241 988536801 /nfs/dbraw/zinc/53/68/01/988536801.db2.gz SKLBJYGQBDXHKO-YUMYIRISSA-N 2 1 370.541 2.606 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001005415470 989770409 /nfs/dbraw/zinc/77/04/09/989770409.db2.gz KTYMYMWWNRUMEG-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001034649711 990152476 /nfs/dbraw/zinc/15/24/76/990152476.db2.gz QVCJKFHZJXXMGQ-XSDIEEQYSA-N 2 1 368.525 2.806 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154753 991856867 /nfs/dbraw/zinc/85/68/67/991856867.db2.gz UMWSSEXXNUUWFN-PCCBWWKXSA-N 2 1 371.500 2.607 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001079849646 992533049 /nfs/dbraw/zinc/53/30/49/992533049.db2.gz UHKFCFXZLXVEGX-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001079849646 992533056 /nfs/dbraw/zinc/53/30/56/992533056.db2.gz UHKFCFXZLXVEGX-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001079849646 992533065 /nfs/dbraw/zinc/53/30/65/992533065.db2.gz UHKFCFXZLXVEGX-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554297 993160239 /nfs/dbraw/zinc/16/02/39/993160239.db2.gz KHEZLEXEFIFUAF-DBXWQHBBSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082558407 994930222 /nfs/dbraw/zinc/93/02/22/994930222.db2.gz OTTXYPYAPGNZET-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001082568506 994964412 /nfs/dbraw/zinc/96/44/12/994964412.db2.gz ACXZDIGOMNTGCD-QIJUGHKUSA-N 2 1 367.537 2.844 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001082568506 994964419 /nfs/dbraw/zinc/96/44/19/994964419.db2.gz ACXZDIGOMNTGCD-QIJUGHKUSA-N 2 1 367.537 2.844 20 30 FFEDMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370798 997814233 /nfs/dbraw/zinc/81/42/33/997814233.db2.gz JQMUSYXBXHNPTE-QFIPXVFZSA-N 2 1 365.477 2.556 20 30 FFEDMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370798 997814241 /nfs/dbraw/zinc/81/42/41/997814241.db2.gz JQMUSYXBXHNPTE-QFIPXVFZSA-N 2 1 365.477 2.556 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001084969152 998422258 /nfs/dbraw/zinc/42/22/58/998422258.db2.gz XWSPGSZUYTXUSO-SJORKVTESA-N 2 1 351.922 2.538 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001084969152 998422264 /nfs/dbraw/zinc/42/22/64/998422264.db2.gz XWSPGSZUYTXUSO-SJORKVTESA-N 2 1 351.922 2.538 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997812 998601720 /nfs/dbraw/zinc/60/17/20/998601720.db2.gz AUFKPJWWWVDUOQ-NJAFHUGGSA-N 2 1 351.922 2.536 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997812 998601722 /nfs/dbraw/zinc/60/17/22/998601722.db2.gz AUFKPJWWWVDUOQ-NJAFHUGGSA-N 2 1 351.922 2.536 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014429 998677089 /nfs/dbraw/zinc/67/70/89/998677089.db2.gz DOMBQFNVXDATPV-NRSPTQNISA-N 2 1 357.542 2.730 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014429 998677091 /nfs/dbraw/zinc/67/70/91/998677091.db2.gz DOMBQFNVXDATPV-NRSPTQNISA-N 2 1 357.542 2.730 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014429 998677094 /nfs/dbraw/zinc/67/70/94/998677094.db2.gz DOMBQFNVXDATPV-NRSPTQNISA-N 2 1 357.542 2.730 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001085100540 998944507 /nfs/dbraw/zinc/94/45/07/998944507.db2.gz KYCJYSYBLKESMM-QUCCMNQESA-N 2 1 359.558 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001085203750 999156996 /nfs/dbraw/zinc/15/69/96/999156996.db2.gz ZYAVXIWFQQIJFV-DOIPELPJSA-N 2 1 368.525 2.806 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952740 999612684 /nfs/dbraw/zinc/61/26/84/999612684.db2.gz RRJRAVCYVPUBBA-JBACZVJFSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952740 999612686 /nfs/dbraw/zinc/61/26/86/999612686.db2.gz RRJRAVCYVPUBBA-JBACZVJFSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952740 999612687 /nfs/dbraw/zinc/61/26/87/999612687.db2.gz RRJRAVCYVPUBBA-JBACZVJFSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952740 999612689 /nfs/dbraw/zinc/61/26/89/999612689.db2.gz RRJRAVCYVPUBBA-JBACZVJFSA-N 2 1 353.510 2.596 20 30 FFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139059 1000025245 /nfs/dbraw/zinc/02/52/45/1000025245.db2.gz LYYFUQHSXCGKTJ-IKLNAOFOSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139059 1000025248 /nfs/dbraw/zinc/02/52/48/1000025248.db2.gz LYYFUQHSXCGKTJ-IKLNAOFOSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139059 1000025251 /nfs/dbraw/zinc/02/52/51/1000025251.db2.gz LYYFUQHSXCGKTJ-IKLNAOFOSA-N 2 1 364.493 2.612 20 30 FFEDMP C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847030871 1000524452 /nfs/dbraw/zinc/52/44/52/1000524452.db2.gz OMJUSKGLZDPTIL-MOPGFXCFSA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109529176 1000605361 /nfs/dbraw/zinc/60/53/61/1000605361.db2.gz ZELCGLXXLPYGMO-HBXLWWENSA-N 2 1 356.514 2.838 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109529176 1000605365 /nfs/dbraw/zinc/60/53/65/1000605365.db2.gz ZELCGLXXLPYGMO-HBXLWWENSA-N 2 1 356.514 2.838 20 30 FFEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001112561810 1001480421 /nfs/dbraw/zinc/48/04/21/1001480421.db2.gz SRVDBHBWFWVOJC-VWPQPMDRSA-N 2 1 353.510 2.531 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@]2(C)C1 ZINC001091882586 1001981414 /nfs/dbraw/zinc/98/14/14/1001981414.db2.gz BWEKQFPUYWVQHH-KNQAVFIVSA-N 2 1 355.526 2.761 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013406 1002284438 /nfs/dbraw/zinc/28/44/38/1002284438.db2.gz PVIXBTWPFHCSTD-LSTHTHJFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013406 1002284449 /nfs/dbraw/zinc/28/44/49/1002284449.db2.gz PVIXBTWPFHCSTD-LSTHTHJFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013406 1002284453 /nfs/dbraw/zinc/28/44/53/1002284453.db2.gz PVIXBTWPFHCSTD-LSTHTHJFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013446 1002286810 /nfs/dbraw/zinc/28/68/10/1002286810.db2.gz QMYRJOVHXDBTMH-AYOQOUSVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013446 1002286817 /nfs/dbraw/zinc/28/68/17/1002286817.db2.gz QMYRJOVHXDBTMH-AYOQOUSVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013446 1002286824 /nfs/dbraw/zinc/28/68/24/1002286824.db2.gz QMYRJOVHXDBTMH-AYOQOUSVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013446 1002286832 /nfs/dbraw/zinc/28/68/32/1002286832.db2.gz QMYRJOVHXDBTMH-AYOQOUSVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588080 1002415787 /nfs/dbraw/zinc/41/57/87/1002415787.db2.gz CVOXGBHXVFBVRB-FDFHNCONSA-N 2 1 367.537 2.879 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@H]1C ZINC001092689917 1003492623 /nfs/dbraw/zinc/49/26/23/1003492623.db2.gz RMJGCDRLAAMTQJ-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2CC)C[C@H]1C ZINC001092689917 1003492630 /nfs/dbraw/zinc/49/26/30/1003492630.db2.gz RMJGCDRLAAMTQJ-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2CC)C[C@H]1C ZINC001092689917 1003492636 /nfs/dbraw/zinc/49/26/36/1003492636.db2.gz RMJGCDRLAAMTQJ-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2CC)C[C@H]1C ZINC001092689917 1003492644 /nfs/dbraw/zinc/49/26/44/1003492644.db2.gz RMJGCDRLAAMTQJ-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001201927863 1005283381 /nfs/dbraw/zinc/28/33/81/1005283381.db2.gz RFTKZFSTLKOGBM-UHFFFAOYSA-N 2 1 372.513 2.628 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001489311713 1005464994 /nfs/dbraw/zinc/46/49/94/1005464994.db2.gz JUABLPZBJQWPTJ-XLIONFOSSA-N 2 1 354.498 2.513 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086712263 1005967909 /nfs/dbraw/zinc/96/79/09/1005967909.db2.gz XTJZKFRNVOCCNS-PWRODBHTSA-N 2 1 368.525 2.807 20 30 FFEDMP CCCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000852860615 1006212269 /nfs/dbraw/zinc/21/22/69/1006212269.db2.gz SXGDUNRTXJIOTB-JOCHJYFZSA-N 2 1 367.537 2.893 20 30 FFEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000883189777 1006693454 /nfs/dbraw/zinc/69/34/54/1006693454.db2.gz OFLSPLJDCOXWPE-VXKWHMMOSA-N 2 1 357.542 2.560 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543249 1007138100 /nfs/dbraw/zinc/13/81/00/1007138100.db2.gz BRIBIIIVDMLUMR-ABSDTBQOSA-N 2 1 365.481 2.768 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543249 1007138105 /nfs/dbraw/zinc/13/81/05/1007138105.db2.gz BRIBIIIVDMLUMR-ABSDTBQOSA-N 2 1 365.481 2.768 20 30 FFEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000134126508 1007352004 /nfs/dbraw/zinc/35/20/04/1007352004.db2.gz XHCDZIWDFYMPEK-HNNXBMFYSA-N 2 1 372.435 2.967 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)CC1 ZINC000862611177 1009899789 /nfs/dbraw/zinc/89/97/89/1009899789.db2.gz LXMBVSLFEMTPPV-JOCHJYFZSA-N 2 1 367.537 2.701 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001181999965 1010338716 /nfs/dbraw/zinc/33/87/16/1010338716.db2.gz CIMBFANHBVDJFZ-IBGZPJMESA-N 2 1 354.498 2.535 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001094241451 1010985285 /nfs/dbraw/zinc/98/52/85/1010985285.db2.gz FAHAKXGLMCISLD-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927971 1011123041 /nfs/dbraw/zinc/12/30/41/1011123041.db2.gz STULCVQXPYALPE-BSLALVQMSA-N 2 1 374.488 2.697 20 30 FFEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927971 1011123043 /nfs/dbraw/zinc/12/30/43/1011123043.db2.gz STULCVQXPYALPE-BSLALVQMSA-N 2 1 374.488 2.697 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CC[NH+](C)C)CCC[C@@H]12 ZINC001094478134 1011168620 /nfs/dbraw/zinc/16/86/20/1011168620.db2.gz PDKOBSCFAMCDTL-FYYLOGMGSA-N 2 1 367.537 2.788 20 30 FFEDMP COC(=O)N1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172735203 1011970727 /nfs/dbraw/zinc/97/07/27/1011970727.db2.gz WVLKCEXUMZRTRP-WGSAOQKQSA-N 2 1 370.497 2.861 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981914 1012152758 /nfs/dbraw/zinc/15/27/58/1012152758.db2.gz PSWSAIXCFHOBNK-TXTZMMAHSA-N 2 1 362.518 2.883 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981914 1012152763 /nfs/dbraw/zinc/15/27/63/1012152763.db2.gz PSWSAIXCFHOBNK-TXTZMMAHSA-N 2 1 362.518 2.883 20 30 FFEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173109075 1012254334 /nfs/dbraw/zinc/25/43/34/1012254334.db2.gz FKXROXXIKZHFIW-TVPLGVNVSA-N 2 1 361.534 2.570 20 30 FFEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173109075 1012254348 /nfs/dbraw/zinc/25/43/48/1012254348.db2.gz FKXROXXIKZHFIW-TVPLGVNVSA-N 2 1 361.534 2.570 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556836 1012613602 /nfs/dbraw/zinc/61/36/02/1012613602.db2.gz PBANDAVDHDIXKY-QFIPXVFZSA-N 2 1 353.510 2.895 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001097718371 1017838327 /nfs/dbraw/zinc/83/83/27/1017838327.db2.gz HPCSYFPXAOLEMF-JCEKIRTPSA-N 2 1 372.538 2.572 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001097718371 1017838345 /nfs/dbraw/zinc/83/83/45/1017838345.db2.gz HPCSYFPXAOLEMF-JCEKIRTPSA-N 2 1 372.538 2.572 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001097718371 1017838357 /nfs/dbraw/zinc/83/83/57/1017838357.db2.gz HPCSYFPXAOLEMF-JCEKIRTPSA-N 2 1 372.538 2.572 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001097718371 1017838372 /nfs/dbraw/zinc/83/83/72/1017838372.db2.gz HPCSYFPXAOLEMF-JCEKIRTPSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001111018388 1020605537 /nfs/dbraw/zinc/60/55/37/1020605537.db2.gz SLNKLOFUPYBCLA-OAOYMFHYSA-N 2 1 374.554 2.962 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001111018388 1020605549 /nfs/dbraw/zinc/60/55/49/1020605549.db2.gz SLNKLOFUPYBCLA-OAOYMFHYSA-N 2 1 374.554 2.962 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001111018341 1020606073 /nfs/dbraw/zinc/60/60/73/1020606073.db2.gz RLDYGWYKYIBAPB-YSFYHYPLSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001111018341 1020606078 /nfs/dbraw/zinc/60/60/78/1020606078.db2.gz RLDYGWYKYIBAPB-YSFYHYPLSA-N 2 1 367.537 2.880 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001096104917 1020678566 /nfs/dbraw/zinc/67/85/66/1020678566.db2.gz SHNRFKATOYNWPW-HKBOAZHASA-N 2 1 366.509 2.512 20 30 FFEDMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001111028202 1020755139 /nfs/dbraw/zinc/75/51/39/1020755139.db2.gz NFTPVMWKMQKGQH-OLMNPRSZSA-N 2 1 374.554 2.819 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001111028202 1020755148 /nfs/dbraw/zinc/75/51/48/1020755148.db2.gz NFTPVMWKMQKGQH-OLMNPRSZSA-N 2 1 374.554 2.819 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001111028202 1020755158 /nfs/dbraw/zinc/75/51/58/1020755158.db2.gz NFTPVMWKMQKGQH-OLMNPRSZSA-N 2 1 374.554 2.819 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001111028202 1020755167 /nfs/dbraw/zinc/75/51/67/1020755167.db2.gz NFTPVMWKMQKGQH-OLMNPRSZSA-N 2 1 374.554 2.819 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188917 1022314755 /nfs/dbraw/zinc/31/47/55/1022314755.db2.gz KTVOHTNNHPISPR-XLNTUCKNSA-N 2 1 365.481 2.957 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188917 1022314774 /nfs/dbraw/zinc/31/47/74/1022314774.db2.gz KTVOHTNNHPISPR-XLNTUCKNSA-N 2 1 365.481 2.957 20 30 FFEDMP C=C1CC[NH2+]C[C@@H]1Oc1nc(C)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001218206311 1033048355 /nfs/dbraw/zinc/04/83/55/1033048355.db2.gz ARIKTLHIPOXRGE-FQEVSTJZSA-N 2 1 350.466 2.640 20 30 FFEDMP C=C1CC[NH2+]C[C@@H]1Oc1nc(C)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001218206311 1033048366 /nfs/dbraw/zinc/04/83/66/1033048366.db2.gz ARIKTLHIPOXRGE-FQEVSTJZSA-N 2 1 350.466 2.640 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111268782 1022863970 /nfs/dbraw/zinc/86/39/70/1022863970.db2.gz AVOSHHJJDKCBQM-AQNXPRMDSA-N 2 1 365.562 2.813 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796705 1023375168 /nfs/dbraw/zinc/37/51/68/1023375168.db2.gz OUEQCZLIEAUDQN-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796705 1023375178 /nfs/dbraw/zinc/37/51/78/1023375178.db2.gz OUEQCZLIEAUDQN-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796705 1023375185 /nfs/dbraw/zinc/37/51/85/1023375185.db2.gz OUEQCZLIEAUDQN-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C[NH+]=C(NCc1ccnc(C)n1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246232402 1025900724 /nfs/dbraw/zinc/90/07/24/1025900724.db2.gz QJMXOUJSTPGNJM-MAUKXSAKSA-N 2 1 372.542 2.595 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580765 1026335175 /nfs/dbraw/zinc/33/51/75/1026335175.db2.gz KXZTXIQGQOVWFO-VAMGGRTRSA-N 2 1 367.578 2.609 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600130 1026398265 /nfs/dbraw/zinc/39/82/65/1026398265.db2.gz OCIBFGFYNATQIG-NXHRZFHOSA-N 2 1 355.954 2.934 20 30 FFEDMP C=CCN1CCN(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000840040393 1026925685 /nfs/dbraw/zinc/92/56/85/1026925685.db2.gz CBCVQWGGXSWNPJ-UHFFFAOYSA-N 2 1 357.502 2.501 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090459 1026953077 /nfs/dbraw/zinc/95/30/77/1026953077.db2.gz VNUQJBKFDWPMLU-TZIWHRDSSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090459 1026953081 /nfs/dbraw/zinc/95/30/81/1026953081.db2.gz VNUQJBKFDWPMLU-TZIWHRDSSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090459 1026953085 /nfs/dbraw/zinc/95/30/85/1026953085.db2.gz VNUQJBKFDWPMLU-TZIWHRDSSA-N 2 1 367.537 2.597 20 30 FFEDMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001103111869 1026971928 /nfs/dbraw/zinc/97/19/28/1026971928.db2.gz RXJQRIJNJIKLGT-FCEUIQTBSA-N 2 1 369.553 2.699 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171332 1027027461 /nfs/dbraw/zinc/02/74/61/1027027461.db2.gz WMZDPGQLFDXHGL-IXDOHACOSA-N 2 1 362.518 2.779 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171332 1027027468 /nfs/dbraw/zinc/02/74/68/1027027468.db2.gz WMZDPGQLFDXHGL-IXDOHACOSA-N 2 1 362.518 2.779 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584259 1027726722 /nfs/dbraw/zinc/72/67/22/1027726722.db2.gz KEDHYFUDWROYFS-GUDVDZBRSA-N 2 1 365.562 2.526 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643921 1027864367 /nfs/dbraw/zinc/86/43/67/1027864367.db2.gz WZMGFPKHBAEYSR-RTBURBONSA-N 2 1 355.567 2.609 20 30 FFEDMP N#Cc1ccc(-c2cccs2)nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155381322 1028707065 /nfs/dbraw/zinc/70/70/65/1028707065.db2.gz FIENNWNHGPPCKA-INIZCTEOSA-N 2 1 353.495 2.541 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821173 1029552217 /nfs/dbraw/zinc/55/22/17/1029552217.db2.gz NUNLTQGZDDRMNM-LPHOPBHVSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821173 1029552228 /nfs/dbraw/zinc/55/22/28/1029552228.db2.gz NUNLTQGZDDRMNM-LPHOPBHVSA-N 2 1 353.938 2.974 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001112359717 1030654139 /nfs/dbraw/zinc/65/41/39/1030654139.db2.gz GUYSQAPSMKDEOO-WFXMLNOXSA-N 2 1 356.514 2.638 20 30 FFEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC[C@H]3COC(C)(C)[NH2+]3)C2)CC1 ZINC001204843908 1031451892 /nfs/dbraw/zinc/45/18/92/1031451892.db2.gz ZUJYSJYZAIWFFP-KRWDZBQOSA-N 2 1 365.518 2.602 20 30 FFEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](CC[C@H]3COC(C)(C)[NH2+]3)C2)CC1 ZINC001204843908 1031451902 /nfs/dbraw/zinc/45/19/02/1031451902.db2.gz ZUJYSJYZAIWFFP-KRWDZBQOSA-N 2 1 365.518 2.602 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205390736 1031706138 /nfs/dbraw/zinc/70/61/38/1031706138.db2.gz DZCOIZJIDMWALN-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001227093014 1034934071 /nfs/dbraw/zinc/93/40/71/1034934071.db2.gz YHPMQKAGDVUBEJ-NJDAHSKKSA-N 2 1 353.510 2.539 20 30 FFEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001221810222 1035085624 /nfs/dbraw/zinc/08/56/24/1035085624.db2.gz KAABXZVRGPSWIO-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001221810222 1035085630 /nfs/dbraw/zinc/08/56/30/1035085630.db2.gz KAABXZVRGPSWIO-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001235523429 1037608326 /nfs/dbraw/zinc/60/83/26/1037608326.db2.gz WHXBKSXXZOJFHM-FCHUYYIVSA-N 2 1 356.510 2.906 20 30 FFEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208124004 1038058422 /nfs/dbraw/zinc/05/84/22/1038058422.db2.gz UZASXDIWRYCGAN-TZIWHRDSSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208124004 1038058447 /nfs/dbraw/zinc/05/84/47/1038058447.db2.gz UZASXDIWRYCGAN-TZIWHRDSSA-N 2 1 367.537 2.739 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596506 1038085784 /nfs/dbraw/zinc/08/57/84/1038085784.db2.gz DRKMNFULNZCWHI-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596506 1038085807 /nfs/dbraw/zinc/08/58/07/1038085807.db2.gz DRKMNFULNZCWHI-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](CC)CC ZINC001208571643 1038418855 /nfs/dbraw/zinc/41/88/55/1038418855.db2.gz PEALCTLCZDJAHF-ZTFGCOKTSA-N 2 1 362.543 2.677 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](CC)CC ZINC001208571643 1038418859 /nfs/dbraw/zinc/41/88/59/1038418859.db2.gz PEALCTLCZDJAHF-ZTFGCOKTSA-N 2 1 362.543 2.677 20 30 FFEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861225 1038638540 /nfs/dbraw/zinc/63/85/40/1038638540.db2.gz SUDQIFAMKTYQTM-HXUWFJFHSA-N 2 1 367.497 2.586 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245887666 1039135344 /nfs/dbraw/zinc/13/53/44/1039135344.db2.gz WNWAECGUUHHIIM-UHFFFAOYSA-N 2 1 352.467 2.514 20 30 FFEDMP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047613 1039144507 /nfs/dbraw/zinc/14/45/07/1039144507.db2.gz MYZFXGOOJAWFKY-VAMGGRTRSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047613 1039144514 /nfs/dbraw/zinc/14/45/14/1039144514.db2.gz MYZFXGOOJAWFKY-VAMGGRTRSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047613 1039144521 /nfs/dbraw/zinc/14/45/21/1039144521.db2.gz MYZFXGOOJAWFKY-VAMGGRTRSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047613 1039144531 /nfs/dbraw/zinc/14/45/31/1039144531.db2.gz MYZFXGOOJAWFKY-VAMGGRTRSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252127978 1039442189 /nfs/dbraw/zinc/44/21/89/1039442189.db2.gz HSGLRARZUBWVAE-QHAWAJNXSA-N 2 1 370.578 2.767 20 30 FFEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252127978 1039442195 /nfs/dbraw/zinc/44/21/95/1039442195.db2.gz HSGLRARZUBWVAE-QHAWAJNXSA-N 2 1 370.578 2.767 20 30 FFEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252127978 1039442207 /nfs/dbraw/zinc/44/22/07/1039442207.db2.gz HSGLRARZUBWVAE-QHAWAJNXSA-N 2 1 370.578 2.767 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001252595935 1039606541 /nfs/dbraw/zinc/60/65/41/1039606541.db2.gz LTLVULZLHSJIFS-KRWDZBQOSA-N 2 1 350.528 2.742 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001252595935 1039606542 /nfs/dbraw/zinc/60/65/42/1039606542.db2.gz LTLVULZLHSJIFS-KRWDZBQOSA-N 2 1 350.528 2.742 20 30 FFEDMP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001278681256 1039691346 /nfs/dbraw/zinc/69/13/46/1039691346.db2.gz WZNIIQNRRXTCQG-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001278681256 1039691349 /nfs/dbraw/zinc/69/13/49/1039691349.db2.gz WZNIIQNRRXTCQG-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001278681256 1039691352 /nfs/dbraw/zinc/69/13/52/1039691352.db2.gz WZNIIQNRRXTCQG-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP [NH2+]=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC001252948365 1039849150 /nfs/dbraw/zinc/84/91/50/1039849150.db2.gz MEZTXLHFPRSAQF-QFIPXVFZSA-N 2 1 360.461 2.577 20 30 FFEDMP N#Cc1cccc(OCCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252949889 1039858081 /nfs/dbraw/zinc/85/80/81/1039858081.db2.gz XGWXKBIGQGPKSB-JOCHJYFZSA-N 2 1 365.477 2.554 20 30 FFEDMP N#Cc1cccc(OCCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252949889 1039858107 /nfs/dbraw/zinc/85/81/07/1039858107.db2.gz XGWXKBIGQGPKSB-JOCHJYFZSA-N 2 1 365.477 2.554 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)C(C)C ZINC001211221884 1040005742 /nfs/dbraw/zinc/00/57/42/1040005742.db2.gz IVVRNHPLNXRVPM-GOSISDBHSA-N 2 1 350.551 2.811 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322136 1040448239 /nfs/dbraw/zinc/44/82/39/1040448239.db2.gz BWRPJCTXJVTMCK-XUVXKRRUSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322136 1040448249 /nfs/dbraw/zinc/44/82/49/1040448249.db2.gz BWRPJCTXJVTMCK-XUVXKRRUSA-N 2 1 367.578 2.894 20 30 FFEDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254344946 1040680780 /nfs/dbraw/zinc/68/07/80/1040680780.db2.gz JNUHJSPXXRCJPC-FDYSRKEFSA-N 2 1 361.461 2.790 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccccc2O)CC3)cc1C#N ZINC001278550946 1041109801 /nfs/dbraw/zinc/10/98/01/1041109801.db2.gz ANYQFNDWMSNDFH-UHFFFAOYSA-N 2 1 350.466 2.700 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001261502511 1041276326 /nfs/dbraw/zinc/27/63/26/1041276326.db2.gz OXLREVODNMTSPH-HNNXBMFYSA-N 2 1 354.458 2.508 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264448349 1042676108 /nfs/dbraw/zinc/67/61/08/1042676108.db2.gz XUPKDSXGIMMZKX-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001279373500 1043034830 /nfs/dbraw/zinc/03/48/30/1043034830.db2.gz VMLAAJSMIMDSFL-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001279373500 1043034834 /nfs/dbraw/zinc/03/48/34/1043034834.db2.gz VMLAAJSMIMDSFL-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1C#N ZINC001279467529 1043148546 /nfs/dbraw/zinc/14/85/46/1043148546.db2.gz NRIFRVKIUBIOHV-HXUWFJFHSA-N 2 1 356.514 2.754 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2(C)CCOCC2)cc1C#N ZINC001279476720 1043160134 /nfs/dbraw/zinc/16/01/34/1043160134.db2.gz SQDCLRAXQZCAHM-YQQQUEKLSA-N 2 1 356.514 2.798 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CC2(C)CCOCC2)CC3)cc1C#N ZINC001279476940 1043161132 /nfs/dbraw/zinc/16/11/32/1043161132.db2.gz WPNDHTDMBHONFI-UHFFFAOYSA-N 2 1 356.514 2.611 20 30 FFEDMP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN4CCCC4)(C2)CCC3)cc1C#N ZINC001280223841 1044419032 /nfs/dbraw/zinc/41/90/32/1044419032.db2.gz NDKVHFDURZIOKG-RTWAWAEBSA-N 2 1 355.530 2.517 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001317217528 1045066865 /nfs/dbraw/zinc/06/68/65/1045066865.db2.gz HEGJSBYKTKSAKF-QZNJRLLKSA-N 2 1 367.537 2.785 20 30 FFEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001324396937 1046003964 /nfs/dbraw/zinc/00/39/64/1046003964.db2.gz KKPUBJKOVVCVIS-WIYYLYMNSA-N 2 1 359.558 2.833 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001334136932 1049268374 /nfs/dbraw/zinc/26/83/74/1049268374.db2.gz GLEVWDOBKFTSEM-KBRMVUAJSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001334136932 1049268384 /nfs/dbraw/zinc/26/83/84/1049268384.db2.gz GLEVWDOBKFTSEM-KBRMVUAJSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001334136932 1049268394 /nfs/dbraw/zinc/26/83/94/1049268394.db2.gz GLEVWDOBKFTSEM-KBRMVUAJSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001334136932 1049268404 /nfs/dbraw/zinc/26/84/04/1049268404.db2.gz GLEVWDOBKFTSEM-KBRMVUAJSA-N 2 1 365.521 2.786 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342354694 1050949143 /nfs/dbraw/zinc/94/91/43/1050949143.db2.gz JROKXAARGVNUHL-SFHVURJKSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001345994571 1052699421 /nfs/dbraw/zinc/69/94/21/1052699421.db2.gz SDMWLWXZEUMYLK-HKUYNNGSSA-N 2 1 374.577 2.830 20 30 FFEDMP CC[N@@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC001335397522 1053335135 /nfs/dbraw/zinc/33/51/35/1053335135.db2.gz OMCFYOHSAMDJSL-LJQANCHMSA-N 2 1 351.535 2.692 20 30 FFEDMP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001506179755 1059449562 /nfs/dbraw/zinc/44/95/62/1059449562.db2.gz VSVKHDIBEUOGOY-FCEUIQTBSA-N 2 1 369.553 2.841 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001466255893 1063374532 /nfs/dbraw/zinc/37/45/32/1063374532.db2.gz ZVFXYDLCODTUHI-UWJYYQICSA-N 2 1 372.557 2.957 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001466255893 1063374546 /nfs/dbraw/zinc/37/45/46/1063374546.db2.gz ZVFXYDLCODTUHI-UWJYYQICSA-N 2 1 372.557 2.957 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001470717063 1064425476 /nfs/dbraw/zinc/42/54/76/1064425476.db2.gz ITZHSVKAZQEONP-NRFANRHFSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001470717063 1064425483 /nfs/dbraw/zinc/42/54/83/1064425483.db2.gz ITZHSVKAZQEONP-NRFANRHFSA-N 2 1 353.510 2.503 20 30 FFEDMP C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001574921857 1078093020 /nfs/dbraw/zinc/09/30/20/1078093020.db2.gz LONDINNBKYGJFN-SQNIBIBYSA-N 2 1 360.550 2.978 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC001583966276 1079289963 /nfs/dbraw/zinc/28/99/63/1079289963.db2.gz JGUBUMZOXRDRMV-FQEVSTJZSA-N 2 1 356.514 2.569 20 30 FFEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001571311943 1077246324 /nfs/dbraw/zinc/24/63/24/1077246324.db2.gz QZQHZCTUAVKRTL-UHOSZYNNSA-N 2 1 363.933 2.959 20 30 FFEDMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066203252 506446205 /nfs/dbraw/zinc/44/62/05/506446205.db2.gz VGQVTQFABLKORG-SFHVURJKSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000066203252 506446209 /nfs/dbraw/zinc/44/62/09/506446209.db2.gz VGQVTQFABLKORG-SFHVURJKSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000066203252 506446214 /nfs/dbraw/zinc/44/62/14/506446214.db2.gz VGQVTQFABLKORG-SFHVURJKSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000072694596 507843965 /nfs/dbraw/zinc/84/39/65/507843965.db2.gz DLVAFLUKUNNCAG-KRWDZBQOSA-N 2 1 372.513 2.708 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147823 508125382 /nfs/dbraw/zinc/12/53/82/508125382.db2.gz BMQAGZZYLWNRTF-QFIPXVFZSA-N 2 1 369.557 2.638 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147823 508125384 /nfs/dbraw/zinc/12/53/84/508125384.db2.gz BMQAGZZYLWNRTF-QFIPXVFZSA-N 2 1 369.557 2.638 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000104327157 508332172 /nfs/dbraw/zinc/33/21/72/508332172.db2.gz NZMFLJBIDGGQAL-HXUWFJFHSA-N 2 1 356.514 2.593 20 30 FFEDMP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249755575 509755100 /nfs/dbraw/zinc/75/51/00/509755100.db2.gz UFLYEGRECIWDJY-CEXWTWQISA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249755575 509755108 /nfs/dbraw/zinc/75/51/08/509755108.db2.gz UFLYEGRECIWDJY-CEXWTWQISA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249755575 509755113 /nfs/dbraw/zinc/75/51/13/509755113.db2.gz UFLYEGRECIWDJY-CEXWTWQISA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249755575 509755121 /nfs/dbraw/zinc/75/51/21/509755121.db2.gz UFLYEGRECIWDJY-CEXWTWQISA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000265010423 509820671 /nfs/dbraw/zinc/82/06/71/509820671.db2.gz QHWNFJSZVLYPLH-RTBURBONSA-N 2 1 356.514 2.579 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246019237 510253572 /nfs/dbraw/zinc/25/35/72/510253572.db2.gz MCDAOWPPUNYAFM-DYESRHJHSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246019237 510253583 /nfs/dbraw/zinc/25/35/83/510253583.db2.gz MCDAOWPPUNYAFM-DYESRHJHSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246019237 510253597 /nfs/dbraw/zinc/25/35/97/510253597.db2.gz MCDAOWPPUNYAFM-DYESRHJHSA-N 2 1 360.546 2.771 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000184612543 510416823 /nfs/dbraw/zinc/41/68/23/510416823.db2.gz BSQYXLAGLVYKOL-OAQYLSRUSA-N 2 1 370.541 2.943 20 30 FFEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000312094987 511782284 /nfs/dbraw/zinc/78/22/84/511782284.db2.gz HTMIAVUOXSKWIE-OAQYLSRUSA-N 2 1 365.477 2.552 20 30 FFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378371377 512724313 /nfs/dbraw/zinc/72/43/13/512724313.db2.gz OXBQTZZCHNOWKI-NJDAHSKKSA-N 2 1 356.514 2.720 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#N)cc1 ZINC000370214770 512825232 /nfs/dbraw/zinc/82/52/32/512825232.db2.gz FQWLHPKASWXYAK-UHFFFAOYSA-N 2 1 368.525 2.827 20 30 FFEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449081394 514063764 /nfs/dbraw/zinc/06/37/64/514063764.db2.gz DYSDMABGCMTYRK-UHFFFAOYSA-N 2 1 354.498 2.636 20 30 FFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000503184408 514947465 /nfs/dbraw/zinc/94/74/65/514947465.db2.gz ZWAFSTOLTYSINW-PMACEKPBSA-N 2 1 356.514 2.665 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196841 515241979 /nfs/dbraw/zinc/24/19/79/515241979.db2.gz XZORPVVPTITEGZ-CZAAIQMYSA-N 2 1 362.477 2.585 20 30 FFEDMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000511957141 516093089 /nfs/dbraw/zinc/09/30/89/516093089.db2.gz MTGICVAVPLLGRC-UHFFFAOYSA-N 2 1 371.510 2.951 20 30 FFEDMP C[NH+](CC#CC[N@@H+](C)CCc1ccccc1O)CCc1ccccc1O ZINC000551702282 516829311 /nfs/dbraw/zinc/82/93/11/516829311.db2.gz FPVCLSKVVHAIJO-UHFFFAOYSA-N 2 1 352.478 2.750 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000573095846 518506149 /nfs/dbraw/zinc/50/61/49/518506149.db2.gz JYIWBRMZBNHYHV-JOCHJYFZSA-N 2 1 370.541 2.991 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000574317413 519096977 /nfs/dbraw/zinc/09/69/77/519096977.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317413 519096983 /nfs/dbraw/zinc/09/69/83/519096983.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317413 519096987 /nfs/dbraw/zinc/09/69/87/519096987.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 2 1 360.542 2.772 20 30 FFEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522908 519197889 /nfs/dbraw/zinc/19/78/89/519197889.db2.gz GNOBCIOSBKHPHR-KRWDZBQOSA-N 2 1 362.543 2.572 20 30 FFEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522908 519197895 /nfs/dbraw/zinc/19/78/95/519197895.db2.gz GNOBCIOSBKHPHR-KRWDZBQOSA-N 2 1 362.543 2.572 20 30 FFEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522908 519197901 /nfs/dbraw/zinc/19/79/01/519197901.db2.gz GNOBCIOSBKHPHR-KRWDZBQOSA-N 2 1 362.543 2.572 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4cccc(C#N)c4C3)CC2)CC1 ZINC000594372606 519922962 /nfs/dbraw/zinc/92/29/62/519922962.db2.gz LFBBEOBCBZCVAJ-UHFFFAOYSA-N 2 1 366.509 2.597 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437643 519964838 /nfs/dbraw/zinc/96/48/38/519964838.db2.gz KIIOLCKLCQCJLB-IFMALSPDSA-N 2 1 368.525 2.912 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440640 519967813 /nfs/dbraw/zinc/96/78/13/519967813.db2.gz HGTPBUCSWOGKMT-FXAWDEMLSA-N 2 1 356.514 2.946 20 30 FFEDMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612798 520742292 /nfs/dbraw/zinc/74/22/92/520742292.db2.gz DCIDHHAXPCUEIR-JKSUJKDBSA-N 2 1 350.532 2.506 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)C(C)C ZINC000606641465 521120091 /nfs/dbraw/zinc/12/00/91/521120091.db2.gz AWJARAYPPOIEDD-RBUKOAKNSA-N 2 1 350.551 2.667 20 30 FFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602596959 521431207 /nfs/dbraw/zinc/43/12/07/521431207.db2.gz OMQBSCRJCMFZLK-RXVVDRJESA-N 2 1 371.525 2.832 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000597021796 521452590 /nfs/dbraw/zinc/45/25/90/521452590.db2.gz SCMJPOAPMOGJSD-GHTZIAJQSA-N 2 1 352.526 2.700 20 30 FFEDMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000597182484 521560657 /nfs/dbraw/zinc/56/06/57/521560657.db2.gz CFOLPXMDWIVQPW-UHFFFAOYSA-N 2 1 370.522 2.882 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000129777571 728713174 /nfs/dbraw/zinc/71/31/74/728713174.db2.gz PVZFAELCWYGGOR-PKOBYXMFSA-N 2 1 359.539 2.592 20 30 FFEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1cccc(Cl)c1 ZINC000304990607 729737624 /nfs/dbraw/zinc/73/76/24/729737624.db2.gz CZIAVBYOHLEUOC-UHFFFAOYSA-N 2 1 366.937 2.535 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000815652658 741950451 /nfs/dbraw/zinc/95/04/51/741950451.db2.gz LXIALAOAVZTATA-CQSZACIVSA-N 2 1 366.303 2.711 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000815652658 741950452 /nfs/dbraw/zinc/95/04/52/741950452.db2.gz LXIALAOAVZTATA-CQSZACIVSA-N 2 1 366.303 2.711 20 30 FFEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997034567 742004513 /nfs/dbraw/zinc/00/45/13/742004513.db2.gz QSMLZZZKGYNFJS-MOPGFXCFSA-N 2 1 361.917 2.665 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938520 743309374 /nfs/dbraw/zinc/30/93/74/743309374.db2.gz DMNQNTJWVKVZRM-LMMKCTJWSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938520 743309378 /nfs/dbraw/zinc/30/93/78/743309378.db2.gz DMNQNTJWVKVZRM-LMMKCTJWSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938520 743309383 /nfs/dbraw/zinc/30/93/83/743309383.db2.gz DMNQNTJWVKVZRM-LMMKCTJWSA-N 2 1 353.938 2.784 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000392797156 845856325 /nfs/dbraw/zinc/85/63/25/845856325.db2.gz PMZKARBXDHCUKC-CYBMUJFWSA-N 2 1 356.251 2.897 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000392797156 845856330 /nfs/dbraw/zinc/85/63/30/845856330.db2.gz PMZKARBXDHCUKC-CYBMUJFWSA-N 2 1 356.251 2.897 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C(C)(C)C1 ZINC000974603512 972036856 /nfs/dbraw/zinc/03/68/56/972036856.db2.gz OGETXYQQTFCBHF-KURKYZTESA-N 2 1 356.514 2.557 20 30 FFEDMP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271260739 972411531 /nfs/dbraw/zinc/41/15/31/972411531.db2.gz ANXYNBTZUXYVSE-IIDMSEBBSA-N 2 1 362.543 2.580 20 30 FFEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970459800 961374829 /nfs/dbraw/zinc/37/48/29/961374829.db2.gz OTVUOJHBFNKGCB-UIFIKXQLSA-N 2 1 355.526 2.735 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261942230 964787027 /nfs/dbraw/zinc/78/70/27/964787027.db2.gz DUHMRPIJVFZRAB-GBESFXJTSA-N 2 1 360.550 2.606 20 30 FFEDMP C=CCCn1cc(CNCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)nn1 ZINC000657300468 965998159 /nfs/dbraw/zinc/99/81/59/965998159.db2.gz FVKGEYLBCWOBCG-ROUUACIJSA-N 2 1 369.513 2.753 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262375457 967971098 /nfs/dbraw/zinc/97/10/98/967971098.db2.gz GATPWYYZRDIRSH-IYWMVGAKSA-N 2 1 370.541 2.630 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262375457 967971103 /nfs/dbraw/zinc/97/11/03/967971103.db2.gz GATPWYYZRDIRSH-IYWMVGAKSA-N 2 1 370.541 2.630 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001211616055 968029114 /nfs/dbraw/zinc/02/91/14/968029114.db2.gz SYPFGANXAZRYNF-ZCNNSNEGSA-N 2 1 364.493 2.921 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593431 968282330 /nfs/dbraw/zinc/28/23/30/968282330.db2.gz GTDXXNPNFWDOIP-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593431 968282347 /nfs/dbraw/zinc/28/23/47/968282347.db2.gz GTDXXNPNFWDOIP-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593431 968282356 /nfs/dbraw/zinc/28/23/56/968282356.db2.gz GTDXXNPNFWDOIP-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593431 968282367 /nfs/dbraw/zinc/28/23/67/968282367.db2.gz GTDXXNPNFWDOIP-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001087593720 968285578 /nfs/dbraw/zinc/28/55/78/968285578.db2.gz SPMCIMQSHVUOQB-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001087593720 968285585 /nfs/dbraw/zinc/28/55/85/968285585.db2.gz SPMCIMQSHVUOQB-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001087593720 968285592 /nfs/dbraw/zinc/28/55/92/968285592.db2.gz SPMCIMQSHVUOQB-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087725381 968762038 /nfs/dbraw/zinc/76/20/38/968762038.db2.gz MVEBPZFQAVGUSY-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087725381 968762045 /nfs/dbraw/zinc/76/20/45/968762045.db2.gz MVEBPZFQAVGUSY-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087725381 968762048 /nfs/dbraw/zinc/76/20/48/968762048.db2.gz MVEBPZFQAVGUSY-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087725452 968764544 /nfs/dbraw/zinc/76/45/44/968764544.db2.gz PGUGYRBIUHJWLU-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087725452 968764555 /nfs/dbraw/zinc/76/45/55/968764555.db2.gz PGUGYRBIUHJWLU-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087725452 968764563 /nfs/dbraw/zinc/76/45/63/968764563.db2.gz PGUGYRBIUHJWLU-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001111949306 969407755 /nfs/dbraw/zinc/40/77/55/969407755.db2.gz YANRIGWPNBBQCO-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001104682198 970094369 /nfs/dbraw/zinc/09/43/69/970094369.db2.gz GUAIUTDNIFAKLL-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001104682187 970094667 /nfs/dbraw/zinc/09/46/67/970094667.db2.gz FSHYLZPVWCHJTI-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262406348 972780969 /nfs/dbraw/zinc/78/09/69/972780969.db2.gz OPKLRHMGXLSSSJ-XFZLJDJSSA-N 2 1 362.562 2.760 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088107040 972829776 /nfs/dbraw/zinc/82/97/76/972829776.db2.gz CZOCSAUIJHDWFP-RTWAWAEBSA-N 2 1 355.526 2.761 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(CC)CC)CC[C@@H]3C2)CC1 ZINC001088212243 973668795 /nfs/dbraw/zinc/66/87/95/973668795.db2.gz XKFFDYQIPNNMAJ-RTWAWAEBSA-N 2 1 359.558 2.548 20 30 FFEDMP CN(C)C(NCc1ccccc1)=[NH+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000262506346 973932291 /nfs/dbraw/zinc/93/22/91/973932291.db2.gz BNERANIKMOWXKG-UHFFFAOYSA-N 2 1 371.573 2.644 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087441535 977486458 /nfs/dbraw/zinc/48/64/58/977486458.db2.gz MUFIYPPRRVTGMM-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087441535 977486461 /nfs/dbraw/zinc/48/64/61/977486461.db2.gz MUFIYPPRRVTGMM-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087441535 977486465 /nfs/dbraw/zinc/48/64/65/977486465.db2.gz MUFIYPPRRVTGMM-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076247715 979272853 /nfs/dbraw/zinc/27/28/53/979272853.db2.gz AVKHCEJZOMSYEI-LEWJYISDSA-N 2 1 355.526 2.903 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693356 982798549 /nfs/dbraw/zinc/79/85/49/982798549.db2.gz WMPXADWCOYPHIT-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693356 982798552 /nfs/dbraw/zinc/79/85/52/982798552.db2.gz WMPXADWCOYPHIT-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693356 982798559 /nfs/dbraw/zinc/79/85/59/982798559.db2.gz WMPXADWCOYPHIT-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693356 982798565 /nfs/dbraw/zinc/79/85/65/982798565.db2.gz WMPXADWCOYPHIT-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693356 982798569 /nfs/dbraw/zinc/79/85/69/982798569.db2.gz WMPXADWCOYPHIT-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000912700580 984095346 /nfs/dbraw/zinc/09/53/46/984095346.db2.gz HLAGZGLWLDYGJY-HXUWFJFHSA-N 2 1 355.526 2.913 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001106673199 988624114 /nfs/dbraw/zinc/62/41/14/988624114.db2.gz RCUKMPRIAWCWQN-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001034217855 989976729 /nfs/dbraw/zinc/97/67/29/989976729.db2.gz WJHYLKKGEIRISW-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001034217855 989976742 /nfs/dbraw/zinc/97/67/42/989976742.db2.gz WJHYLKKGEIRISW-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001034217855 989976755 /nfs/dbraw/zinc/97/67/55/989976755.db2.gz WJHYLKKGEIRISW-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001034217855 989976766 /nfs/dbraw/zinc/97/67/66/989976766.db2.gz WJHYLKKGEIRISW-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)CC2(C)C)CC[N@H+]1C ZINC000940757129 992147418 /nfs/dbraw/zinc/14/74/18/992147418.db2.gz SKQYMFZZRAYZIT-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000940757129 992147426 /nfs/dbraw/zinc/14/74/26/992147426.db2.gz SKQYMFZZRAYZIT-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000940757129 992147435 /nfs/dbraw/zinc/14/74/35/992147435.db2.gz SKQYMFZZRAYZIT-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081125596 993652637 /nfs/dbraw/zinc/65/26/37/993652637.db2.gz IKPDCPBSSBNIBH-OTWHNJEPSA-N 2 1 350.466 2.531 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179744 993739106 /nfs/dbraw/zinc/73/91/06/993739106.db2.gz IEYWJDYRCLZJOE-AYOQOUSVSA-N 2 1 361.917 2.665 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809738170 994599555 /nfs/dbraw/zinc/59/95/55/994599555.db2.gz SGBNEMTYPDJPNC-QUCCMNQESA-N 2 1 358.530 2.825 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082558197 994929750 /nfs/dbraw/zinc/92/97/50/994929750.db2.gz DVXOYBKOAOGFAK-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082612249 995088203 /nfs/dbraw/zinc/08/82/03/995088203.db2.gz CYSJYNCQPPNFEG-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730106021 996855167 /nfs/dbraw/zinc/85/51/67/996855167.db2.gz VQZZLKGMXAIHRJ-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730106021 996855182 /nfs/dbraw/zinc/85/51/82/996855182.db2.gz VQZZLKGMXAIHRJ-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730106021 996855194 /nfs/dbraw/zinc/85/51/94/996855194.db2.gz VQZZLKGMXAIHRJ-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730106021 996855206 /nfs/dbraw/zinc/85/52/06/996855206.db2.gz VQZZLKGMXAIHRJ-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CCCCCC4)C[C@H]32)CC1 ZINC001084850917 997641749 /nfs/dbraw/zinc/64/17/49/997641749.db2.gz CVEBLJWRJAXOBK-FGZHOGPDSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)CC1 ZINC000844715966 998087528 /nfs/dbraw/zinc/08/75/28/998087528.db2.gz OTHVGPQZBLKQLL-SLFFLAALSA-N 2 1 367.537 2.842 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000731833931 998286715 /nfs/dbraw/zinc/28/67/15/998286715.db2.gz LQCGXSXSHXXYKD-ICSRJNTNSA-N 2 1 353.510 2.864 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000731833931 998286726 /nfs/dbraw/zinc/28/67/26/998286726.db2.gz LQCGXSXSHXXYKD-ICSRJNTNSA-N 2 1 353.510 2.864 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001084977429 998486952 /nfs/dbraw/zinc/48/69/52/998486952.db2.gz FTDNZOCSVDEWNX-QAPCUYQASA-N 2 1 358.873 2.932 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001084977429 998486955 /nfs/dbraw/zinc/48/69/55/998486955.db2.gz FTDNZOCSVDEWNX-QAPCUYQASA-N 2 1 358.873 2.932 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014373 998675593 /nfs/dbraw/zinc/67/55/93/998675593.db2.gz ZHYVXVXNXXTOJP-KURKYZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014373 998675597 /nfs/dbraw/zinc/67/55/97/998675597.db2.gz ZHYVXVXNXXTOJP-KURKYZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014373 998675604 /nfs/dbraw/zinc/67/56/04/998675604.db2.gz ZHYVXVXNXXTOJP-KURKYZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014373 998675608 /nfs/dbraw/zinc/67/56/08/998675608.db2.gz ZHYVXVXNXXTOJP-KURKYZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC4CC(C)(C)C4)[C@H]3C2)CC1 ZINC001085100534 998944897 /nfs/dbraw/zinc/94/48/97/998944897.db2.gz KOBOQUWNDIDGKH-CTNGQTDRSA-N 2 1 371.569 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C ZINC001085229744 999214783 /nfs/dbraw/zinc/21/47/83/999214783.db2.gz ILCYTULLDVRUTD-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C ZINC001085229744 999214800 /nfs/dbraw/zinc/21/48/00/999214800.db2.gz ILCYTULLDVRUTD-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001183043793 1002130870 /nfs/dbraw/zinc/13/08/70/1002130870.db2.gz ZTVRMRLPNKCGQA-RTWAWAEBSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013407 1002285569 /nfs/dbraw/zinc/28/55/69/1002285569.db2.gz PVIXBTWPFHCSTD-UXPWSPDFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013407 1002285576 /nfs/dbraw/zinc/28/55/76/1002285576.db2.gz PVIXBTWPFHCSTD-UXPWSPDFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013407 1002285584 /nfs/dbraw/zinc/28/55/84/1002285584.db2.gz PVIXBTWPFHCSTD-UXPWSPDFSA-N 2 1 351.510 2.555 20 30 FFEDMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170530193 1004659466 /nfs/dbraw/zinc/65/94/66/1004659466.db2.gz VHRCFZJLXHFIIL-UAFMIMERSA-N 2 1 355.482 2.972 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000106245329 1005281218 /nfs/dbraw/zinc/28/12/18/1005281218.db2.gz BHVBNBOENDTVQD-UHFFFAOYSA-N 2 1 360.498 2.985 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188517928 1006587458 /nfs/dbraw/zinc/58/74/58/1006587458.db2.gz GZIMDLYGLKZYQL-FUHIMQAGSA-N 2 1 365.481 2.768 20 30 FFEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)[NH+](CC)CC ZINC001189110524 1006889590 /nfs/dbraw/zinc/88/95/90/1006889590.db2.gz RAAKJYLOCULIER-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C#Cc1cccc(NC(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)c1 ZINC000817300599 1007531186 /nfs/dbraw/zinc/53/11/86/1007531186.db2.gz BRGYLBRUAFFCCQ-UHFFFAOYSA-N 2 1 354.498 2.692 20 30 FFEDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866356881 1010982480 /nfs/dbraw/zinc/98/24/80/1010982480.db2.gz AMSDNMLOYYCZFU-HNNXBMFYSA-N 2 1 354.454 2.840 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094433807 1011117967 /nfs/dbraw/zinc/11/79/67/1011117967.db2.gz DNLZJSROLLVSPX-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433807 1011117969 /nfs/dbraw/zinc/11/79/69/1011117969.db2.gz DNLZJSROLLVSPX-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433807 1011117972 /nfs/dbraw/zinc/11/79/72/1011117972.db2.gz DNLZJSROLLVSPX-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094512831 1011181634 /nfs/dbraw/zinc/18/16/34/1011181634.db2.gz WFYPUHXNSBKVAM-IFMALSPDSA-N 2 1 355.526 2.951 20 30 FFEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172299180 1011756377 /nfs/dbraw/zinc/75/63/77/1011756377.db2.gz JZBABRJUEVQZBO-NMNUPHIUSA-N 2 1 363.505 2.962 20 30 FFEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172299180 1011756382 /nfs/dbraw/zinc/75/63/82/1011756382.db2.gz JZBABRJUEVQZBO-NMNUPHIUSA-N 2 1 363.505 2.962 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1Cl ZINC001275234326 1012120160 /nfs/dbraw/zinc/12/01/60/1012120160.db2.gz MSOUYOULEBSGNU-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1Cl ZINC001275234326 1012120174 /nfs/dbraw/zinc/12/01/74/1012120174.db2.gz MSOUYOULEBSGNU-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCOCc1ncn2c1C[N@H+](C1CCC(CC#N)CC1)CCC2 ZINC001173335510 1012450874 /nfs/dbraw/zinc/45/08/74/1012450874.db2.gz PBQKMYIOZYWIJG-UHFFFAOYSA-N 2 1 359.518 2.639 20 30 FFEDMP CC[NH+]1CCC([N@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173432223 1012595245 /nfs/dbraw/zinc/59/52/45/1012595245.db2.gz VRCZXCHAERHOQR-UHFFFAOYSA-N 2 1 354.498 2.579 20 30 FFEDMP CC[NH+]1CCC([N@@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173432223 1012595260 /nfs/dbraw/zinc/59/52/60/1012595260.db2.gz VRCZXCHAERHOQR-UHFFFAOYSA-N 2 1 354.498 2.579 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000304760072 1012863276 /nfs/dbraw/zinc/86/32/76/1012863276.db2.gz RWGJQKXWOIRGGI-AEFFLSMTSA-N 2 1 361.534 2.784 20 30 FFEDMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001097639011 1017739508 /nfs/dbraw/zinc/73/95/08/1017739508.db2.gz KXZSPYXDOQJOEV-AQNXPRMDSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001097639011 1017739522 /nfs/dbraw/zinc/73/95/22/1017739522.db2.gz KXZSPYXDOQJOEV-AQNXPRMDSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000926274750 1018071221 /nfs/dbraw/zinc/07/12/21/1018071221.db2.gz DWDZKAMLEWVMPP-NRFANRHFSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096248945 1019594920 /nfs/dbraw/zinc/59/49/20/1019594920.db2.gz CEBDEFQCGPHKBY-QYZOEREBSA-N 2 1 351.454 2.569 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096248945 1019594929 /nfs/dbraw/zinc/59/49/29/1019594929.db2.gz CEBDEFQCGPHKBY-QYZOEREBSA-N 2 1 351.454 2.569 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000900405604 1020404902 /nfs/dbraw/zinc/40/49/02/1020404902.db2.gz JEIDBFOAQJLHEQ-UHFFFAOYSA-N 2 1 372.513 2.866 20 30 FFEDMP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)n1 ZINC001118872578 1022452195 /nfs/dbraw/zinc/45/21/95/1022452195.db2.gz CFTZIXKIVDDSMT-RTBURBONSA-N 2 1 366.465 2.578 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000948386247 1023247488 /nfs/dbraw/zinc/24/74/88/1023247488.db2.gz USVTZSBEPQGUFW-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC000948386247 1023247490 /nfs/dbraw/zinc/24/74/90/1023247490.db2.gz USVTZSBEPQGUFW-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC000948386247 1023247497 /nfs/dbraw/zinc/24/74/97/1023247497.db2.gz USVTZSBEPQGUFW-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111298664 1023672970 /nfs/dbraw/zinc/67/29/70/1023672970.db2.gz JWXHWHNHRMAFSF-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111298664 1023672973 /nfs/dbraw/zinc/67/29/73/1023672973.db2.gz JWXHWHNHRMAFSF-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C=CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001276302136 1024297744 /nfs/dbraw/zinc/29/77/44/1024297744.db2.gz KZXGASDCQCZYIY-IRLDBZIGSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCN1CC[C@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001276302136 1024297750 /nfs/dbraw/zinc/29/77/50/1024297750.db2.gz KZXGASDCQCZYIY-IRLDBZIGSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001101301029 1024388131 /nfs/dbraw/zinc/38/81/31/1024388131.db2.gz DWAVQUVYJYUMPN-SVMVAKDDSA-N 2 1 370.541 2.897 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001101301029 1024388146 /nfs/dbraw/zinc/38/81/46/1024388146.db2.gz DWAVQUVYJYUMPN-SVMVAKDDSA-N 2 1 370.541 2.897 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484815 1026092546 /nfs/dbraw/zinc/09/25/46/1026092546.db2.gz YBYKAAQALQJCLF-KZNAEPCWSA-N 2 1 367.497 2.920 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484815 1026092564 /nfs/dbraw/zinc/09/25/64/1026092564.db2.gz YBYKAAQALQJCLF-KZNAEPCWSA-N 2 1 367.497 2.920 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC001160110447 1027597788 /nfs/dbraw/zinc/59/77/88/1027597788.db2.gz CGTQAEJYDGPYGH-SFTDATJTSA-N 2 1 355.526 2.846 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC001160110447 1027597804 /nfs/dbraw/zinc/59/78/04/1027597804.db2.gz CGTQAEJYDGPYGH-SFTDATJTSA-N 2 1 355.526 2.846 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001103751721 1028138684 /nfs/dbraw/zinc/13/86/84/1028138684.db2.gz NIGNUQCPGLGCGI-DENIHFKCSA-N 2 1 371.569 2.906 20 30 FFEDMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CCCCC1 ZINC000841011279 1029974723 /nfs/dbraw/zinc/97/47/23/1029974723.db2.gz GUNZBQDWJYMMMG-VQIMIIECSA-N 2 1 355.486 2.684 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112114536 1030040064 /nfs/dbraw/zinc/04/00/64/1030040064.db2.gz UXVDDHOPLNWJSC-KFWWJZLASA-N 2 1 370.419 2.706 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001203904009 1030972597 /nfs/dbraw/zinc/97/25/97/1030972597.db2.gz PQRPUZCKCAQFOM-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001203904009 1030972604 /nfs/dbraw/zinc/97/26/04/1030972604.db2.gz PQRPUZCKCAQFOM-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001203904009 1030972617 /nfs/dbraw/zinc/97/26/17/1030972617.db2.gz PQRPUZCKCAQFOM-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205312853 1031664468 /nfs/dbraw/zinc/66/44/68/1031664468.db2.gz GKRKUBHBBWXLFB-DZFGPLHGSA-N 2 1 371.500 2.607 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001205334807 1031678551 /nfs/dbraw/zinc/67/85/51/1031678551.db2.gz RIVCUNRGPSXRQY-FCHUYYIVSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1F ZINC001205611610 1031871148 /nfs/dbraw/zinc/87/11/48/1031871148.db2.gz NPVSTEXWHSNVJW-ZTRFORPCSA-N 2 1 359.489 2.626 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205620963 1031878188 /nfs/dbraw/zinc/87/81/88/1031878188.db2.gz WVJMOPNYCLWNLR-TYPHKJRUSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138717342 1034585074 /nfs/dbraw/zinc/58/50/74/1034585074.db2.gz OCDADJTZWDCKIA-UHFFFAOYSA-N 2 1 355.526 2.803 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001227093015 1034933972 /nfs/dbraw/zinc/93/39/72/1034933972.db2.gz YHPMQKAGDVUBEJ-NJYVYQBISA-N 2 1 353.510 2.539 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001221682658 1034980416 /nfs/dbraw/zinc/98/04/16/1034980416.db2.gz GMHYGKDFIXLGDS-SQGPQFPESA-N 2 1 365.481 2.768 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818094 1035092797 /nfs/dbraw/zinc/09/27/97/1035092797.db2.gz FJYQBBLFQKEYLY-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818094 1035092804 /nfs/dbraw/zinc/09/28/04/1035092804.db2.gz FJYQBBLFQKEYLY-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818094 1035092811 /nfs/dbraw/zinc/09/28/11/1035092811.db2.gz FJYQBBLFQKEYLY-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818094 1035092817 /nfs/dbraw/zinc/09/28/17/1035092817.db2.gz FJYQBBLFQKEYLY-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001277735441 1036161293 /nfs/dbraw/zinc/16/12/93/1036161293.db2.gz SPSXFRGCOXTMRY-CTNGQTDRSA-N 2 1 367.578 2.726 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001229860584 1036943676 /nfs/dbraw/zinc/94/36/76/1036943676.db2.gz XHNWZZKJXGAZIO-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1C#N ZINC001207104275 1037150823 /nfs/dbraw/zinc/15/08/23/1037150823.db2.gz PWTTVDUAZRJIID-UHFFFAOYSA-N 2 1 370.522 2.825 20 30 FFEDMP N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](CCCCCC[NH3+])C3)C2)c1 ZINC001235633795 1037654425 /nfs/dbraw/zinc/65/44/25/1037654425.db2.gz AFXDSNZJYRTSSZ-QFIPXVFZSA-N 2 1 370.541 2.996 20 30 FFEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047614 1039144420 /nfs/dbraw/zinc/14/44/20/1039144420.db2.gz MYZFXGOOJAWFKY-XUVXKRRUSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047614 1039144428 /nfs/dbraw/zinc/14/44/28/1039144428.db2.gz MYZFXGOOJAWFKY-XUVXKRRUSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047614 1039144435 /nfs/dbraw/zinc/14/44/35/1039144435.db2.gz MYZFXGOOJAWFKY-XUVXKRRUSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258047614 1039144442 /nfs/dbraw/zinc/14/44/42/1039144442.db2.gz MYZFXGOOJAWFKY-XUVXKRRUSA-N 2 1 367.578 2.846 20 30 FFEDMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001246583877 1039405274 /nfs/dbraw/zinc/40/52/74/1039405274.db2.gz VYKLLQYDTIDNHB-OAQYLSRUSA-N 2 1 354.498 2.614 20 30 FFEDMP C=C1C[C@@H]2CC([N@@H+](CCN3CCOCC3)CC3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246939228 1039541143 /nfs/dbraw/zinc/54/11/43/1039541143.db2.gz UHIMTCCNDCYKJL-CBQGHPETSA-N 2 1 361.574 2.755 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001252463840 1039545584 /nfs/dbraw/zinc/54/55/84/1039545584.db2.gz SWCFUIXATMNQBR-ONCXSQPRSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001252463840 1039545603 /nfs/dbraw/zinc/54/56/03/1039545603.db2.gz SWCFUIXATMNQBR-ONCXSQPRSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001252463840 1039545621 /nfs/dbraw/zinc/54/56/21/1039545621.db2.gz SWCFUIXATMNQBR-ONCXSQPRSA-N 2 1 364.555 2.844 20 30 FFEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C)c(C#N)c3)C[C@H]2CC1 ZINC001278700579 1040014964 /nfs/dbraw/zinc/01/49/64/1040014964.db2.gz BHUONUHWDSYLNR-BGYRXZFFSA-N 2 1 357.498 2.631 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)C[C@H]2CC1 ZINC001278700579 1040014974 /nfs/dbraw/zinc/01/49/74/1040014974.db2.gz BHUONUHWDSYLNR-BGYRXZFFSA-N 2 1 357.498 2.631 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)C[C@H]2CC1 ZINC001278700579 1040014985 /nfs/dbraw/zinc/01/49/85/1040014985.db2.gz BHUONUHWDSYLNR-BGYRXZFFSA-N 2 1 357.498 2.631 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502506 1040617007 /nfs/dbraw/zinc/61/70/07/1040617007.db2.gz KCWYXPBYXZTASG-QZTJIDSGSA-N 2 1 362.518 2.568 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502506 1040617016 /nfs/dbraw/zinc/61/70/16/1040617016.db2.gz KCWYXPBYXZTASG-QZTJIDSGSA-N 2 1 362.518 2.568 20 30 FFEDMP NC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255386690 1041313467 /nfs/dbraw/zinc/31/34/67/1041313467.db2.gz AIXZTSNQVFRGHE-IBGZPJMESA-N 2 1 350.466 2.546 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264447952 1042676028 /nfs/dbraw/zinc/67/60/28/1042676028.db2.gz PNYZDLWYOFOIQH-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264447952 1042676031 /nfs/dbraw/zinc/67/60/31/1042676031.db2.gz PNYZDLWYOFOIQH-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(O)cc2)cc1C#N ZINC001279183783 1042936349 /nfs/dbraw/zinc/93/63/49/1042936349.db2.gz MJBCKDBBYAYKBO-YQQQUEKLSA-N 2 1 350.466 2.888 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(O)cc2)cc1C#N ZINC001279183783 1042936353 /nfs/dbraw/zinc/93/63/53/1042936353.db2.gz MJBCKDBBYAYKBO-YQQQUEKLSA-N 2 1 350.466 2.888 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3Cl)C[C@H]2CC1 ZINC001279320393 1042999211 /nfs/dbraw/zinc/99/92/11/1042999211.db2.gz POGPNBFTQKAQNZ-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@H]2CC1 ZINC001279320393 1042999214 /nfs/dbraw/zinc/99/92/14/1042999214.db2.gz POGPNBFTQKAQNZ-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]2CC1 ZINC001279320393 1042999217 /nfs/dbraw/zinc/99/92/17/1042999217.db2.gz POGPNBFTQKAQNZ-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@H]2CC1 ZINC001279320393 1042999219 /nfs/dbraw/zinc/99/92/19/1042999219.db2.gz POGPNBFTQKAQNZ-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@H]2CC1 ZINC001279320393 1042999222 /nfs/dbraw/zinc/99/92/22/1042999222.db2.gz POGPNBFTQKAQNZ-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1C#N ZINC001279467528 1043148575 /nfs/dbraw/zinc/14/85/75/1043148575.db2.gz NRIFRVKIUBIOHV-FQEVSTJZSA-N 2 1 356.514 2.754 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)c(Cl)c3)C[C@H]2CC1 ZINC001279469079 1043151777 /nfs/dbraw/zinc/15/17/77/1043151777.db2.gz BFURFQOKPUQIFG-KDURUIRLSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]2CC1 ZINC001279469079 1043151781 /nfs/dbraw/zinc/15/17/81/1043151781.db2.gz BFURFQOKPUQIFG-KDURUIRLSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]2CC1 ZINC001279469079 1043151787 /nfs/dbraw/zinc/15/17/87/1043151787.db2.gz BFURFQOKPUQIFG-KDURUIRLSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]2CC1 ZINC001279469079 1043151793 /nfs/dbraw/zinc/15/17/93/1043151793.db2.gz BFURFQOKPUQIFG-KDURUIRLSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]2CC1 ZINC001279469079 1043151804 /nfs/dbraw/zinc/15/18/04/1043151804.db2.gz BFURFQOKPUQIFG-KDURUIRLSA-N 2 1 360.933 2.917 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)cc1C#N ZINC001279475136 1043158290 /nfs/dbraw/zinc/15/82/90/1043158290.db2.gz WRUNWIOCJLZLIO-FQEVSTJZSA-N 2 1 356.514 2.754 20 30 FFEDMP Cc1cnsc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279483981 1043169501 /nfs/dbraw/zinc/16/95/01/1043169501.db2.gz KUSHENPINDRUPA-UHFFFAOYSA-N 2 1 355.511 2.760 20 30 FFEDMP C=CCCCC[N@H+]1CCc2nc(C(=O)NC3CC[NH+](C)CC3)ccc2C1 ZINC001279719603 1043523867 /nfs/dbraw/zinc/52/38/67/1043523867.db2.gz CIJPVFJVJXLTGU-UHFFFAOYSA-N 2 1 356.514 2.620 20 30 FFEDMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)cc3Cl)(C1)CCC2 ZINC001280039137 1044121888 /nfs/dbraw/zinc/12/18/88/1044121888.db2.gz YLJGKPGXPCNYAA-UXHICEINSA-N 2 1 374.916 2.824 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CC(C)(C)CO)CC3)C2)cc1C#N ZINC001280187949 1044373457 /nfs/dbraw/zinc/37/34/57/1044373457.db2.gz OUOCISQNCGFDFZ-UHFFFAOYSA-N 2 1 358.530 2.593 20 30 FFEDMP CCc1cc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001280217640 1044412185 /nfs/dbraw/zinc/41/21/85/1044412185.db2.gz PPUQWYCGCVXFDH-QFIPXVFZSA-N 2 1 354.542 2.970 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCCC2)CC[N@H+]1C ZINC001319353954 1045120454 /nfs/dbraw/zinc/12/04/54/1045120454.db2.gz YGLXTHBENWLLTN-VQTJNVASSA-N 2 1 368.525 2.807 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001351860535 1055035178 /nfs/dbraw/zinc/03/51/78/1055035178.db2.gz JJEHDDLJMJHQSA-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849054059 1055602810 /nfs/dbraw/zinc/60/28/10/1055602810.db2.gz ZZTSKRMQFIQOOV-NRFANRHFSA-N 2 1 366.509 2.595 20 30 FFEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849054059 1055602814 /nfs/dbraw/zinc/60/28/14/1055602814.db2.gz ZZTSKRMQFIQOOV-NRFANRHFSA-N 2 1 366.509 2.595 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001478736420 1062096117 /nfs/dbraw/zinc/09/61/17/1062096117.db2.gz PGIZWZWYIGPNMU-NRFANRHFSA-N 2 1 370.541 2.638 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001478736420 1062096134 /nfs/dbraw/zinc/09/61/34/1062096134.db2.gz PGIZWZWYIGPNMU-NRFANRHFSA-N 2 1 370.541 2.638 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001478736420 1062096155 /nfs/dbraw/zinc/09/61/55/1062096155.db2.gz PGIZWZWYIGPNMU-NRFANRHFSA-N 2 1 370.541 2.638 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001479637836 1062680256 /nfs/dbraw/zinc/68/02/56/1062680256.db2.gz GKOLGLOBGQVGOH-PKOBYXMFSA-N 2 1 353.470 2.816 20 30 FFEDMP C=CC[C@@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC[NH2+]1 ZINC001574893447 1078090904 /nfs/dbraw/zinc/09/09/04/1078090904.db2.gz WUGDUGSYEYMXAL-URVUXULASA-N 2 1 353.510 2.665 20 30 FFEDMP CC(C)N(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001575680915 1078163175 /nfs/dbraw/zinc/16/31/75/1078163175.db2.gz DEMWVVADKDKMQK-VQTJNVASSA-N 2 1 356.514 2.909 20 30 FFEDMP N#Cc1cccc([C@H](O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC001473459255 1065267881 /nfs/dbraw/zinc/26/78/81/1065267881.db2.gz RGZVTYXBPXGHMK-JOCHJYFZSA-N 2 1 358.445 2.962 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927129 1078716367 /nfs/dbraw/zinc/71/63/67/1078716367.db2.gz KQNSQXIPEAZMEI-XIRDDKMYSA-N 2 1 358.486 2.807 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927129 1078716371 /nfs/dbraw/zinc/71/63/71/1078716371.db2.gz KQNSQXIPEAZMEI-XIRDDKMYSA-N 2 1 358.486 2.807 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001583230493 1079181937 /nfs/dbraw/zinc/18/19/37/1079181937.db2.gz CSGGAQSUWQGUFW-HXUWFJFHSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000371338088 512341018 /nfs/dbraw/zinc/34/10/18/512341018.db2.gz YLIIIZGPABJYAB-NRFANRHFSA-N 2 1 370.541 2.969 20 30 FFEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)C[C@H](C)O1 ZINC000092587202 508084636 /nfs/dbraw/zinc/08/46/36/508084636.db2.gz BMQAJGQZFAZTTL-IRXDYDNUSA-N 2 1 367.497 2.527 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000080674712 508093819 /nfs/dbraw/zinc/09/38/19/508093819.db2.gz IAISHCOOPFYYPZ-OAQYLSRUSA-N 2 1 370.541 2.943 20 30 FFEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000076324706 508187246 /nfs/dbraw/zinc/18/72/46/508187246.db2.gz YVXPAQPCMLXEEE-UHFFFAOYSA-N 2 1 374.504 2.613 20 30 FFEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158285918 508682743 /nfs/dbraw/zinc/68/27/43/508682743.db2.gz YGMWVINFXQHWBY-MNOVXSKESA-N 2 1 363.453 2.556 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000159000689 508779452 /nfs/dbraw/zinc/77/94/52/508779452.db2.gz CCYQYNCPYRNISK-LJQANCHMSA-N 2 1 373.545 2.619 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000159000689 508779455 /nfs/dbraw/zinc/77/94/55/508779455.db2.gz CCYQYNCPYRNISK-LJQANCHMSA-N 2 1 373.545 2.619 20 30 FFEDMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000130919008 508865235 /nfs/dbraw/zinc/86/52/35/508865235.db2.gz SLGKHKBSPQIKPK-ZDUSSCGKSA-N 2 1 371.510 2.963 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000150818626 508900497 /nfs/dbraw/zinc/90/04/97/508900497.db2.gz MUSIFOZMXVUFJG-OAHLLOKOSA-N 2 1 360.889 2.958 20 30 FFEDMP CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264066358 509313836 /nfs/dbraw/zinc/31/38/36/509313836.db2.gz BJCSNBVOMPZLOE-MAUKXSAKSA-N 2 1 359.518 2.560 20 30 FFEDMP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000185881736 509404831 /nfs/dbraw/zinc/40/48/31/509404831.db2.gz JQPPFZAHUIURRH-PKOBYXMFSA-N 2 1 370.497 2.519 20 30 FFEDMP CN(CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978069 509885607 /nfs/dbraw/zinc/88/56/07/509885607.db2.gz KDCCGEYOZRJOGY-FQEVSTJZSA-N 2 1 362.477 2.951 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177314026 509992838 /nfs/dbraw/zinc/99/28/38/509992838.db2.gz UHAKQNGHNWJTFA-MRXNPFEDSA-N 2 1 365.543 2.628 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000171714423 510325445 /nfs/dbraw/zinc/32/54/45/510325445.db2.gz DWZXVNRJSFJUNJ-SFHVURJKSA-N 2 1 359.489 2.804 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000190833965 510365179 /nfs/dbraw/zinc/36/51/79/510365179.db2.gz YCYATHDOAGAIPS-CALCHBBNSA-N 2 1 352.482 2.796 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184754761 510501387 /nfs/dbraw/zinc/50/13/87/510501387.db2.gz BHJKOFNZNCKKRH-RTBURBONSA-N 2 1 355.526 2.933 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000246877434 510723615 /nfs/dbraw/zinc/72/36/15/510723615.db2.gz LQVNYKREKNNFFW-XUVXKRRUSA-N 2 1 362.562 2.811 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277124586 510954639 /nfs/dbraw/zinc/95/46/39/510954639.db2.gz IACCLWWJSXWMIC-RBUKOAKNSA-N 2 1 362.514 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277124586 510954642 /nfs/dbraw/zinc/95/46/42/510954642.db2.gz IACCLWWJSXWMIC-RBUKOAKNSA-N 2 1 362.514 2.580 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287725524 511055442 /nfs/dbraw/zinc/05/54/42/511055442.db2.gz NUVQWZCRNXSEOH-XLIONFOSSA-N 2 1 356.514 2.599 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279379116 511063475 /nfs/dbraw/zinc/06/34/75/511063475.db2.gz JXTVDPSHPWQAGS-LJQANCHMSA-N 2 1 352.486 2.775 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279379116 511063480 /nfs/dbraw/zinc/06/34/80/511063480.db2.gz JXTVDPSHPWQAGS-LJQANCHMSA-N 2 1 352.486 2.775 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298364055 511259214 /nfs/dbraw/zinc/25/92/14/511259214.db2.gz CMWQOKZWHGDREX-MRXNPFEDSA-N 2 1 371.510 2.896 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298364055 511259220 /nfs/dbraw/zinc/25/92/20/511259220.db2.gz CMWQOKZWHGDREX-MRXNPFEDSA-N 2 1 371.510 2.896 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N(C)CCC#N ZINC000368233530 512857702 /nfs/dbraw/zinc/85/77/02/512857702.db2.gz FUHREKDYGCUVKG-MJUUVYJYSA-N 2 1 368.525 2.637 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000370708013 513063823 /nfs/dbraw/zinc/06/38/23/513063823.db2.gz GJNDRBLVMWTJLX-QUCCMNQESA-N 2 1 373.541 2.718 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000370708013 513063829 /nfs/dbraw/zinc/06/38/29/513063829.db2.gz GJNDRBLVMWTJLX-QUCCMNQESA-N 2 1 373.541 2.718 20 30 FFEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000425536612 513626410 /nfs/dbraw/zinc/62/64/10/513626410.db2.gz OWRBXWRVMSOBFR-UWJYYQICSA-N 2 1 364.493 2.970 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000423420312 514135563 /nfs/dbraw/zinc/13/55/63/514135563.db2.gz JHJIEIJDMOCHHL-QHCPKHFHSA-N 2 1 360.505 2.999 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424138235 514396410 /nfs/dbraw/zinc/39/64/10/514396410.db2.gz TZVTUIUXQBHVCQ-QKLQHJQFSA-N 2 1 356.514 2.802 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424172631 514407015 /nfs/dbraw/zinc/40/70/15/514407015.db2.gz NLPABJAYASMPLQ-COXVUDFISA-N 2 1 366.868 2.609 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1Cl ZINC000509069541 515009469 /nfs/dbraw/zinc/00/94/69/515009469.db2.gz KVTPDFHOLGCBPO-MRXNPFEDSA-N 2 1 362.905 2.700 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000499631267 515393090 /nfs/dbraw/zinc/39/30/90/515393090.db2.gz BBSQRROYLCRFCI-RBUKOAKNSA-N 2 1 351.535 2.814 20 30 FFEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000561060788 516357301 /nfs/dbraw/zinc/35/73/01/516357301.db2.gz VWLYEAYUWMMZOF-UHFFFAOYSA-N 2 1 374.504 2.613 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCCN(Cc4cccs4)C3)cnc12 ZINC000556206956 517318592 /nfs/dbraw/zinc/31/85/92/517318592.db2.gz QNKXBZBSSLWFDP-HNNXBMFYSA-N 2 1 366.494 2.664 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cnc12 ZINC000556206956 517318598 /nfs/dbraw/zinc/31/85/98/517318598.db2.gz QNKXBZBSSLWFDP-HNNXBMFYSA-N 2 1 366.494 2.664 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cnc12 ZINC000556206956 517318606 /nfs/dbraw/zinc/31/86/06/517318606.db2.gz QNKXBZBSSLWFDP-HNNXBMFYSA-N 2 1 366.494 2.664 20 30 FFEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582779759 518917584 /nfs/dbraw/zinc/91/75/84/518917584.db2.gz XXUPWPQFLTZPMS-POAQFYNOSA-N 2 1 354.498 2.954 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000577485052 519104637 /nfs/dbraw/zinc/10/46/37/519104637.db2.gz OXTAJFQRSKTOHL-HXUWFJFHSA-N 2 1 353.466 2.539 20 30 FFEDMP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443779 519969270 /nfs/dbraw/zinc/96/92/70/519969270.db2.gz UPPZZPKQXRUGMM-YZGWKJHDSA-N 2 1 356.514 2.815 20 30 FFEDMP N#Cc1cccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000603875894 520388214 /nfs/dbraw/zinc/38/82/14/520388214.db2.gz YKANEDOMMYOOIE-UHFFFAOYSA-N 2 1 368.525 2.762 20 30 FFEDMP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000592471131 520403997 /nfs/dbraw/zinc/40/39/97/520403997.db2.gz ZGRQBQRRPDPHLF-BFIYSBSQSA-N 2 1 369.509 2.995 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000598699168 520793357 /nfs/dbraw/zinc/79/33/57/520793357.db2.gz CDXJWDDVUGLMQR-FUHIMQAGSA-N 2 1 359.514 2.686 20 30 FFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551342 521214130 /nfs/dbraw/zinc/21/41/30/521214130.db2.gz KMQRVFSKDZSGMS-HXUWFJFHSA-N 2 1 355.461 2.993 20 30 FFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000602500838 521382567 /nfs/dbraw/zinc/38/25/67/521382567.db2.gz BOGKYURAAGSRQT-SFHVURJKSA-N 2 1 357.498 2.707 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594546 521430009 /nfs/dbraw/zinc/43/00/09/521430009.db2.gz YTPBLKAQZPZVPD-UXHICEINSA-N 2 1 356.514 2.959 20 30 FFEDMP C[NH+]=C(NCC1CCOCC1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000177173979 729130018 /nfs/dbraw/zinc/13/00/18/729130018.db2.gz VIUDUMBIGCUHCI-WMZOPIPTSA-N 2 1 364.559 2.723 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1C(F)(F)F ZINC000303990064 729736313 /nfs/dbraw/zinc/73/63/13/729736313.db2.gz YCWVWHQNSUHDAC-CYBMUJFWSA-N 2 1 358.408 2.603 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758737 732277459 /nfs/dbraw/zinc/27/74/59/732277459.db2.gz MEKDIBCBLKTZMT-QUCCMNQESA-N 2 1 361.917 2.971 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000876890490 732292282 /nfs/dbraw/zinc/29/22/82/732292282.db2.gz AJKOIYSZUHVYFJ-OKZBNKHCSA-N 2 1 363.889 2.559 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC#C[Si](C)(C)C)CC2)CC1 ZINC000912328495 737291624 /nfs/dbraw/zinc/29/16/24/737291624.db2.gz ITMCFZSZJHJGCW-UHFFFAOYSA-N 2 1 363.622 2.570 20 30 FFEDMP Cc1ccc(CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)s1 ZINC000912498682 737314223 /nfs/dbraw/zinc/31/42/23/737314223.db2.gz DPOJOSKTYMSOGF-UHFFFAOYSA-N 2 1 352.548 2.613 20 30 FFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896634 971116753 /nfs/dbraw/zinc/11/67/53/971116753.db2.gz IMAVHKXAPTWXNG-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)cnc4c3)C[C@@H]2C1 ZINC001087966416 971373091 /nfs/dbraw/zinc/37/30/91/971373091.db2.gz AZSMGZLCUHKUTI-SJORKVTESA-N 2 1 358.873 2.789 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)cnc4c3)C[C@@H]2C1 ZINC001087966416 971373103 /nfs/dbraw/zinc/37/31/03/971373103.db2.gz AZSMGZLCUHKUTI-SJORKVTESA-N 2 1 358.873 2.789 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001087997995 971784299 /nfs/dbraw/zinc/78/42/99/971784299.db2.gz LTQFLNCCKCPVPE-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001087997995 971784303 /nfs/dbraw/zinc/78/43/03/971784303.db2.gz LTQFLNCCKCPVPE-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001087997995 971784305 /nfs/dbraw/zinc/78/43/05/971784305.db2.gz LTQFLNCCKCPVPE-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001087997995 971784311 /nfs/dbraw/zinc/78/43/11/971784311.db2.gz LTQFLNCCKCPVPE-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657355 971800553 /nfs/dbraw/zinc/80/05/53/971800553.db2.gz BYNDBMARFUBFRT-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3scnc3C)C[C@H]21 ZINC001275871624 1013122527 /nfs/dbraw/zinc/12/25/27/1013122527.db2.gz MOHWPVAKUYQDPM-ZWKOTPCHSA-N 2 1 374.554 2.526 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880728 1013130548 /nfs/dbraw/zinc/13/05/48/1013130548.db2.gz WAZAKZFGCWZHED-GCJKJVERSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880728 1013130556 /nfs/dbraw/zinc/13/05/56/1013130556.db2.gz WAZAKZFGCWZHED-GCJKJVERSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880728 1013130566 /nfs/dbraw/zinc/13/05/66/1013130566.db2.gz WAZAKZFGCWZHED-GCJKJVERSA-N 2 1 353.510 2.895 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653008 972443479 /nfs/dbraw/zinc/44/34/79/972443479.db2.gz NWKSCRZVZKYRCG-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653008 972443481 /nfs/dbraw/zinc/44/34/81/972443481.db2.gz NWKSCRZVZKYRCG-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC000660653008 972443482 /nfs/dbraw/zinc/44/34/82/972443482.db2.gz NWKSCRZVZKYRCG-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000660653008 972443484 /nfs/dbraw/zinc/44/34/84/972443484.db2.gz NWKSCRZVZKYRCG-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP N#Cc1cccc(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134864408 960069770 /nfs/dbraw/zinc/06/97/70/960069770.db2.gz NAVHPAQSAPKYSF-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134864408 960069776 /nfs/dbraw/zinc/06/97/76/960069776.db2.gz NAVHPAQSAPKYSF-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134864408 960069784 /nfs/dbraw/zinc/06/97/84/960069784.db2.gz NAVHPAQSAPKYSF-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000960642320 1013436198 /nfs/dbraw/zinc/43/61/98/1013436198.db2.gz IDBYLCJMBOWCNO-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000960642320 1013436203 /nfs/dbraw/zinc/43/62/03/1013436203.db2.gz IDBYLCJMBOWCNO-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)COc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000657751666 967402000 /nfs/dbraw/zinc/40/20/00/967402000.db2.gz UDSPZMLFKJDPFM-IBGZPJMESA-N 2 1 360.498 2.993 20 30 FFEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000657751666 967402006 /nfs/dbraw/zinc/40/20/06/967402006.db2.gz UDSPZMLFKJDPFM-IBGZPJMESA-N 2 1 360.498 2.993 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000103337605 967520880 /nfs/dbraw/zinc/52/08/80/967520880.db2.gz QLRRGTPKCWHGNX-SFHVURJKSA-N 2 1 356.470 2.790 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001023371932 967753655 /nfs/dbraw/zinc/75/36/55/967753655.db2.gz ITQWJZVAINZFIE-QHAWAJNXSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211616030 968028409 /nfs/dbraw/zinc/02/84/09/968028409.db2.gz RLPIYKYPTPPXCL-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211616029 968028774 /nfs/dbraw/zinc/02/87/74/968028774.db2.gz RLPIYKYPTPPXCL-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001267370766 968077747 /nfs/dbraw/zinc/07/77/47/968077747.db2.gz UFRWPHJTZHKBSN-FSSWDIPSSA-N 2 1 363.505 2.965 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC#Cc2ccccc2)CC[N@@H+]1C ZINC001024448303 968918444 /nfs/dbraw/zinc/91/84/44/968918444.db2.gz IQZQGTWLTIKYDQ-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC#Cc2ccccc2)CC[N@H+]1C ZINC001024448303 968918455 /nfs/dbraw/zinc/91/84/55/968918455.db2.gz IQZQGTWLTIKYDQ-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001024448303 968918463 /nfs/dbraw/zinc/91/84/63/968918463.db2.gz IQZQGTWLTIKYDQ-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001024448303 968918472 /nfs/dbraw/zinc/91/84/72/968918472.db2.gz IQZQGTWLTIKYDQ-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797632 974097804 /nfs/dbraw/zinc/09/78/04/974097804.db2.gz MTFWVHJMKSBJGS-RZUBCFFCSA-N 2 1 369.509 2.788 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797632 974097808 /nfs/dbraw/zinc/09/78/08/974097808.db2.gz MTFWVHJMKSBJGS-RZUBCFFCSA-N 2 1 369.509 2.788 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001087428523 975683064 /nfs/dbraw/zinc/68/30/64/975683064.db2.gz KMAZXVIAHCGHOI-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001087428523 975683066 /nfs/dbraw/zinc/68/30/66/975683066.db2.gz KMAZXVIAHCGHOI-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001087428523 975683070 /nfs/dbraw/zinc/68/30/70/975683070.db2.gz KMAZXVIAHCGHOI-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001087428523 975683073 /nfs/dbraw/zinc/68/30/73/975683073.db2.gz KMAZXVIAHCGHOI-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001087429330 975785118 /nfs/dbraw/zinc/78/51/18/975785118.db2.gz DNBLCBNSAHATBM-YPAWHYETSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001087429330 975785129 /nfs/dbraw/zinc/78/51/29/975785129.db2.gz DNBLCBNSAHATBM-YPAWHYETSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001087429330 975785147 /nfs/dbraw/zinc/78/51/47/975785147.db2.gz DNBLCBNSAHATBM-YPAWHYETSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001087429330 975785154 /nfs/dbraw/zinc/78/51/54/975785154.db2.gz DNBLCBNSAHATBM-YPAWHYETSA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431211 976039061 /nfs/dbraw/zinc/03/90/61/976039061.db2.gz DYFAFTGKEQWSAV-NHCUHLMSSA-N 2 1 365.521 2.612 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431211 976039077 /nfs/dbraw/zinc/03/90/77/976039077.db2.gz DYFAFTGKEQWSAV-NHCUHLMSSA-N 2 1 365.521 2.612 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876726062 1014367670 /nfs/dbraw/zinc/36/76/70/1014367670.db2.gz UWISHAJPMKSOLS-FVJLSDCUSA-N 2 1 368.525 2.619 20 30 FFEDMP C[NH+]=C(NCc1csc2ccccc12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261645138 977404360 /nfs/dbraw/zinc/40/43/60/977404360.db2.gz DQLLDBUYNKBRQE-MRXNPFEDSA-N 2 1 372.538 2.631 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC001087443834 977593859 /nfs/dbraw/zinc/59/38/59/977593859.db2.gz IXCHBYBCAOLEEM-FGZHOGPDSA-N 2 1 367.537 2.714 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC#Cc3ccc(F)cc3)CCCC2)CC[N@H+]1C ZINC001481897063 977741677 /nfs/dbraw/zinc/74/16/77/977741677.db2.gz MONWTPJFLFVSCR-YLJYHZDGSA-N 2 1 371.500 2.536 20 30 FFEDMP C[NH+]=C(NC[C@H]1CCOc2ccccc21)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262791139 979924467 /nfs/dbraw/zinc/92/44/67/979924467.db2.gz NZFBSRVLIHBZCX-CSNJMZFVSA-N 2 1 356.514 2.733 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000905710380 980493687 /nfs/dbraw/zinc/49/36/87/980493687.db2.gz XBGAWNSHFHOUFB-IVAOSVALSA-N 2 1 353.510 2.931 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2Cl)[C@@H]1C ZINC001088631217 982045972 /nfs/dbraw/zinc/04/59/72/982045972.db2.gz ZFRQEVHUJRQGMB-MNEFBYGVSA-N 2 1 359.901 2.517 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2Cl)[C@@H]1C ZINC001088631217 982045976 /nfs/dbraw/zinc/04/59/76/982045976.db2.gz ZFRQEVHUJRQGMB-MNEFBYGVSA-N 2 1 359.901 2.517 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000911921000 983918528 /nfs/dbraw/zinc/91/85/28/983918528.db2.gz BIICWQKQUIMPCU-HXUWFJFHSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995825025 984140988 /nfs/dbraw/zinc/14/09/88/984140988.db2.gz MNNHUECVYKYQNE-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646633 984937762 /nfs/dbraw/zinc/93/77/62/984937762.db2.gz NIJYUPVRHACJBC-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646633 984937769 /nfs/dbraw/zinc/93/77/69/984937769.db2.gz NIJYUPVRHACJBC-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC4(CC4)CC3)[C@@H]2C)CC1 ZINC001089059408 986140015 /nfs/dbraw/zinc/14/00/15/986140015.db2.gz KZBIFKKXOYZUMC-NQIIRXRSSA-N 2 1 371.569 2.881 20 30 FFEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479524 988254514 /nfs/dbraw/zinc/25/45/14/988254514.db2.gz DQUKSKJZUJPBPK-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577789 988426009 /nfs/dbraw/zinc/42/60/09/988426009.db2.gz SIIQXFTVIBEAGL-AQNXPRMDSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577789 988426016 /nfs/dbraw/zinc/42/60/16/988426016.db2.gz SIIQXFTVIBEAGL-AQNXPRMDSA-N 2 1 367.578 2.750 20 30 FFEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000922388868 988534268 /nfs/dbraw/zinc/53/42/68/988534268.db2.gz RWDLDPGCMFIGQZ-WIGAVFHRSA-N 2 1 357.498 2.547 20 30 FFEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035802501 990561764 /nfs/dbraw/zinc/56/17/64/990561764.db2.gz SNJQAOKYSWXYNS-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341499 991081999 /nfs/dbraw/zinc/08/19/99/991081999.db2.gz LIJQKRHXHBXOJP-ROUUACIJSA-N 2 1 368.506 2.692 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341499 991082003 /nfs/dbraw/zinc/08/20/03/991082003.db2.gz LIJQKRHXHBXOJP-ROUUACIJSA-N 2 1 368.506 2.692 20 30 FFEDMP C=CCC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995266031 992744537 /nfs/dbraw/zinc/74/45/37/992744537.db2.gz JPQUIIMLBHCMLJ-HLAWJBBLSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995266031 992744542 /nfs/dbraw/zinc/74/45/42/992744542.db2.gz JPQUIIMLBHCMLJ-HLAWJBBLSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995266031 992744550 /nfs/dbraw/zinc/74/45/50/992744550.db2.gz JPQUIIMLBHCMLJ-HLAWJBBLSA-N 2 1 370.541 2.648 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311064 992945813 /nfs/dbraw/zinc/94/58/13/992945813.db2.gz QAXGCGCYTFQXKE-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311064 992945820 /nfs/dbraw/zinc/94/58/20/992945820.db2.gz QAXGCGCYTFQXKE-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311064 992945826 /nfs/dbraw/zinc/94/58/26/992945826.db2.gz QAXGCGCYTFQXKE-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311064 992945831 /nfs/dbraw/zinc/94/58/31/992945831.db2.gz QAXGCGCYTFQXKE-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557242 993163213 /nfs/dbraw/zinc/16/32/13/993163213.db2.gz LUHVRKQFYTZZQZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557242 993163218 /nfs/dbraw/zinc/16/32/18/993163218.db2.gz LUHVRKQFYTZZQZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557242 993163222 /nfs/dbraw/zinc/16/32/22/993163222.db2.gz LUHVRKQFYTZZQZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557242 993163227 /nfs/dbraw/zinc/16/32/27/993163227.db2.gz LUHVRKQFYTZZQZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001133398069 995489430 /nfs/dbraw/zinc/48/94/30/995489430.db2.gz BPLDCJGLUVCCAK-RBUKOAKNSA-N 2 1 361.917 2.622 20 30 FFEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812993974 995593670 /nfs/dbraw/zinc/59/36/70/995593670.db2.gz DALIKEWTIPFVPS-OAQYLSRUSA-N 2 1 374.504 2.661 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000730096122 996847473 /nfs/dbraw/zinc/84/74/73/996847473.db2.gz DIXHNMRXXGTUFI-NRFANRHFSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000730096122 996847484 /nfs/dbraw/zinc/84/74/84/996847484.db2.gz DIXHNMRXXGTUFI-NRFANRHFSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730106024 996854394 /nfs/dbraw/zinc/85/43/94/996854394.db2.gz VQZZLKGMXAIHRJ-KNKQGSTJSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730106024 996854401 /nfs/dbraw/zinc/85/44/01/996854401.db2.gz VQZZLKGMXAIHRJ-KNKQGSTJSA-N 2 1 367.537 2.878 20 30 FFEDMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370796 997813140 /nfs/dbraw/zinc/81/31/40/997813140.db2.gz JQMUSYXBXHNPTE-JOCHJYFZSA-N 2 1 365.477 2.556 20 30 FFEDMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370796 997813153 /nfs/dbraw/zinc/81/31/53/997813153.db2.gz JQMUSYXBXHNPTE-JOCHJYFZSA-N 2 1 365.477 2.556 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978095 998470381 /nfs/dbraw/zinc/47/03/81/998470381.db2.gz WSISKHYVQGRWJR-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978095 998470383 /nfs/dbraw/zinc/47/03/83/998470383.db2.gz WSISKHYVQGRWJR-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978095 998470388 /nfs/dbraw/zinc/47/03/88/998470388.db2.gz WSISKHYVQGRWJR-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978095 998470390 /nfs/dbraw/zinc/47/03/90/998470390.db2.gz WSISKHYVQGRWJR-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747181 1016240203 /nfs/dbraw/zinc/24/02/03/1016240203.db2.gz NGUCWTQNZCBEFI-CLAROIROSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747181 1016240204 /nfs/dbraw/zinc/24/02/04/1016240204.db2.gz NGUCWTQNZCBEFI-CLAROIROSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747181 1016240206 /nfs/dbraw/zinc/24/02/06/1016240206.db2.gz NGUCWTQNZCBEFI-CLAROIROSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072426 998852866 /nfs/dbraw/zinc/85/28/66/998852866.db2.gz ZFYQIFJOPOUDEG-CTNGQTDRSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101581 998947323 /nfs/dbraw/zinc/94/73/23/998947323.db2.gz RYDJSERUCAFJFG-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101581 998947330 /nfs/dbraw/zinc/94/73/30/998947330.db2.gz RYDJSERUCAFJFG-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP CC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595596 1000060482 /nfs/dbraw/zinc/06/04/82/1000060482.db2.gz CLJAMXMDNZKHFT-NJDAHSKKSA-N 2 1 354.498 2.641 20 30 FFEDMP C[NH+](C)CCCNC(=S)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768361969 1000228256 /nfs/dbraw/zinc/22/82/56/1000228256.db2.gz LDYSPXBWINSPIO-KDURUIRLSA-N 2 1 373.570 2.585 20 30 FFEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001109418157 1000409134 /nfs/dbraw/zinc/40/91/34/1000409134.db2.gz ZOAUXWDVAWUWFB-CZYKHXBRSA-N 2 1 365.521 2.634 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001109418157 1000409137 /nfs/dbraw/zinc/40/91/37/1000409137.db2.gz ZOAUXWDVAWUWFB-CZYKHXBRSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109418157 1000409141 /nfs/dbraw/zinc/40/91/41/1000409141.db2.gz ZOAUXWDVAWUWFB-CZYKHXBRSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109418157 1000409145 /nfs/dbraw/zinc/40/91/45/1000409145.db2.gz ZOAUXWDVAWUWFB-CZYKHXBRSA-N 2 1 365.521 2.634 20 30 FFEDMP C=CCN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276166792 1016442502 /nfs/dbraw/zinc/44/25/02/1016442502.db2.gz NKIYTFVGDUHTOD-NRFANRHFSA-N 2 1 350.466 2.791 20 30 FFEDMP C=CCN1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276166792 1016442509 /nfs/dbraw/zinc/44/25/09/1016442509.db2.gz NKIYTFVGDUHTOD-NRFANRHFSA-N 2 1 350.466 2.791 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001109720131 1000907461 /nfs/dbraw/zinc/90/74/61/1000907461.db2.gz VLTXUFYYIJHRGD-YLAKUSLOSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720131 1000907465 /nfs/dbraw/zinc/90/74/65/1000907465.db2.gz VLTXUFYYIJHRGD-YLAKUSLOSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720131 1000907470 /nfs/dbraw/zinc/90/74/70/1000907470.db2.gz VLTXUFYYIJHRGD-YLAKUSLOSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001182701166 1002018566 /nfs/dbraw/zinc/01/85/66/1002018566.db2.gz JBCXSCPRAZZSCR-WRHDZBKDSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034956 1002250902 /nfs/dbraw/zinc/25/09/02/1002250902.db2.gz NJUHFOMTZFGWDZ-JFYQVNSESA-N 2 1 367.537 2.688 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034956 1002250908 /nfs/dbraw/zinc/25/09/08/1002250908.db2.gz NJUHFOMTZFGWDZ-JFYQVNSESA-N 2 1 367.537 2.688 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034956 1002250917 /nfs/dbraw/zinc/25/09/17/1002250917.db2.gz NJUHFOMTZFGWDZ-JFYQVNSESA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092011875 1002282783 /nfs/dbraw/zinc/28/27/83/1002282783.db2.gz IALKWGIZCPYACD-IRLDBZIGSA-N 2 1 355.526 2.761 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)CC1 ZINC001092299649 1002626429 /nfs/dbraw/zinc/62/64/29/1002626429.db2.gz DSORKHUMDFUZCW-OFNKIYASSA-N 2 1 371.569 2.548 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605723 1002922349 /nfs/dbraw/zinc/92/23/49/1002922349.db2.gz SPAIPZGOMDKQNH-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001086605723 1002922356 /nfs/dbraw/zinc/92/23/56/1002922356.db2.gz SPAIPZGOMDKQNH-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001086605723 1002922359 /nfs/dbraw/zinc/92/23/59/1002922359.db2.gz SPAIPZGOMDKQNH-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001086615474 1003436862 /nfs/dbraw/zinc/43/68/62/1003436862.db2.gz BAHJSGQXAJVWJE-LEWJYISDSA-N 2 1 355.526 2.879 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001196783192 1003953517 /nfs/dbraw/zinc/95/35/17/1003953517.db2.gz XWPNUNDCPISCNJ-ZCNNSNEGSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001196783192 1003953519 /nfs/dbraw/zinc/95/35/19/1003953519.db2.gz XWPNUNDCPISCNJ-ZCNNSNEGSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001196783192 1003953525 /nfs/dbraw/zinc/95/35/25/1003953525.db2.gz XWPNUNDCPISCNJ-ZCNNSNEGSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001196783192 1003953529 /nfs/dbraw/zinc/95/35/29/1003953529.db2.gz XWPNUNDCPISCNJ-ZCNNSNEGSA-N 2 1 368.525 2.822 20 30 FFEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740931 1004719144 /nfs/dbraw/zinc/71/91/44/1004719144.db2.gz IXTJVYPQDZKKJR-IPMKNSEASA-N 2 1 359.514 2.749 20 30 FFEDMP C[C@@H]1C[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852866379 1006212841 /nfs/dbraw/zinc/21/28/41/1006212841.db2.gz GLGCULMXIHHSRQ-NQIIRXRSSA-N 2 1 353.510 2.501 20 30 FFEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000853686238 1006504353 /nfs/dbraw/zinc/50/43/53/1006504353.db2.gz WYJWNWAPFADOPI-OAHLLOKOSA-N 2 1 370.375 2.685 20 30 FFEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000853686238 1006504357 /nfs/dbraw/zinc/50/43/57/1006504357.db2.gz WYJWNWAPFADOPI-OAHLLOKOSA-N 2 1 370.375 2.685 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)CCc3ccccc3)[C@@H]2C1 ZINC001189151172 1006926921 /nfs/dbraw/zinc/92/69/21/1006926921.db2.gz AYIPFYKAXIONIM-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151172 1006926938 /nfs/dbraw/zinc/92/69/38/1006926938.db2.gz AYIPFYKAXIONIM-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151172 1006926952 /nfs/dbraw/zinc/92/69/52/1006926952.db2.gz AYIPFYKAXIONIM-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151172 1006926965 /nfs/dbraw/zinc/92/69/65/1006926965.db2.gz AYIPFYKAXIONIM-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151172 1006926978 /nfs/dbraw/zinc/92/69/78/1006926978.db2.gz AYIPFYKAXIONIM-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759007 1008737124 /nfs/dbraw/zinc/73/71/24/1008737124.db2.gz JTHBIARIEFGNLG-LEWJYISDSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759007 1008737127 /nfs/dbraw/zinc/73/71/27/1008737127.db2.gz JTHBIARIEFGNLG-LEWJYISDSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759007 1008737143 /nfs/dbraw/zinc/73/71/43/1008737143.db2.gz JTHBIARIEFGNLG-LEWJYISDSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759007 1008737153 /nfs/dbraw/zinc/73/71/53/1008737153.db2.gz JTHBIARIEFGNLG-LEWJYISDSA-N 2 1 365.521 2.503 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225385 1010167427 /nfs/dbraw/zinc/16/74/27/1010167427.db2.gz LJCYIRHDLXXXKB-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225385 1010167439 /nfs/dbraw/zinc/16/74/39/1010167439.db2.gz LJCYIRHDLXXXKB-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225385 1010167447 /nfs/dbraw/zinc/16/74/47/1010167447.db2.gz LJCYIRHDLXXXKB-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000863555981 1010254339 /nfs/dbraw/zinc/25/43/39/1010254339.db2.gz YRUZVFFDWMJEQG-SFTDATJTSA-N 2 1 371.525 2.560 20 30 FFEDMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110148082 1010462744 /nfs/dbraw/zinc/46/27/44/1010462744.db2.gz IFGNKQNKPFUUGJ-FSSWDIPSSA-N 2 1 365.521 2.636 20 30 FFEDMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110148082 1010462748 /nfs/dbraw/zinc/46/27/48/1010462748.db2.gz IFGNKQNKPFUUGJ-FSSWDIPSSA-N 2 1 365.521 2.636 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@H](C)CC)CC3)CC1 ZINC001094581474 1011262118 /nfs/dbraw/zinc/26/21/18/1011262118.db2.gz BSBJSAKTQKKCIE-SYYKKAFVSA-N 2 1 359.558 2.739 20 30 FFEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426321 1012578306 /nfs/dbraw/zinc/57/83/06/1012578306.db2.gz UXHPQULTCQWOFE-PMACEKPBSA-N 2 1 354.498 2.625 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(C#N)ccn1 ZINC000902948727 1020592583 /nfs/dbraw/zinc/59/25/83/1020592583.db2.gz WFZRDHLZOXMJIP-OXJNMPFZSA-N 2 1 350.466 2.761 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(C#N)ccn1 ZINC000902948727 1020592587 /nfs/dbraw/zinc/59/25/87/1020592587.db2.gz WFZRDHLZOXMJIP-OXJNMPFZSA-N 2 1 350.466 2.761 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001098460489 1020927351 /nfs/dbraw/zinc/92/73/51/1020927351.db2.gz DFECIODZLPNGNF-NJYVYQBISA-N 2 1 357.542 2.633 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000778171429 1021026564 /nfs/dbraw/zinc/02/65/64/1021026564.db2.gz HMBMMLKIBCFLIA-UHFFFAOYSA-N 2 1 373.884 2.977 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099274570 1022205943 /nfs/dbraw/zinc/20/59/43/1022205943.db2.gz HRIMAOCDUJZDED-OAGGEKHMSA-N 2 1 361.452 2.662 20 30 FFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693829 1033119457 /nfs/dbraw/zinc/11/94/57/1033119457.db2.gz COWJGGSRCZJUKO-HKBOAZHASA-N 2 1 359.558 2.997 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111304237 1023707744 /nfs/dbraw/zinc/70/77/44/1023707744.db2.gz ZJWQVLBBSLCLDR-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001111304237 1023707754 /nfs/dbraw/zinc/70/77/54/1023707754.db2.gz ZJWQVLBBSLCLDR-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111304237 1023707756 /nfs/dbraw/zinc/70/77/56/1023707756.db2.gz ZJWQVLBBSLCLDR-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111304237 1023707763 /nfs/dbraw/zinc/70/77/63/1023707763.db2.gz ZJWQVLBBSLCLDR-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432203 1024725900 /nfs/dbraw/zinc/72/59/00/1024725900.db2.gz HGUAUTNWTZZCJS-LZJOCLMNSA-N 2 1 356.514 2.896 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432203 1024725915 /nfs/dbraw/zinc/72/59/15/1024725915.db2.gz HGUAUTNWTZZCJS-LZJOCLMNSA-N 2 1 356.514 2.896 20 30 FFEDMP CN1CC[NH+](Cc2ccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)CC1 ZINC001159507882 1027416112 /nfs/dbraw/zinc/41/61/12/1027416112.db2.gz IYVYIBXIYNHGCJ-UHFFFAOYSA-N 2 1 361.493 2.736 20 30 FFEDMP CCCCN(CC#N)C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160734636 1027843105 /nfs/dbraw/zinc/84/31/05/1027843105.db2.gz FDOAETFKCCXLIB-IFMALSPDSA-N 2 1 368.525 2.640 20 30 FFEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103663419 1027922259 /nfs/dbraw/zinc/92/22/59/1027922259.db2.gz ABTAYXAOAGWACX-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103663419 1027922277 /nfs/dbraw/zinc/92/22/77/1027922277.db2.gz ABTAYXAOAGWACX-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103663419 1027922298 /nfs/dbraw/zinc/92/22/98/1027922298.db2.gz ABTAYXAOAGWACX-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196323 1028653942 /nfs/dbraw/zinc/65/39/42/1028653942.db2.gz RJIFTEUBPAQPTG-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001157389990 1029572727 /nfs/dbraw/zinc/57/27/27/1029572727.db2.gz KDOPCCIKFYWCMB-OALUTQOASA-N 2 1 361.917 2.937 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001157389990 1029572734 /nfs/dbraw/zinc/57/27/34/1029572734.db2.gz KDOPCCIKFYWCMB-OALUTQOASA-N 2 1 361.917 2.937 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC ZINC001157389990 1029572740 /nfs/dbraw/zinc/57/27/40/1029572740.db2.gz KDOPCCIKFYWCMB-OALUTQOASA-N 2 1 361.917 2.937 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC ZINC001157389990 1029572750 /nfs/dbraw/zinc/57/27/50/1029572750.db2.gz KDOPCCIKFYWCMB-OALUTQOASA-N 2 1 361.917 2.937 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C(F)(F)F ZINC001112179827 1030160318 /nfs/dbraw/zinc/16/03/18/1030160318.db2.gz MPGIYCAEIIVTNO-HZPDHXFCSA-N 2 1 361.452 2.501 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001112440883 1030818151 /nfs/dbraw/zinc/81/81/51/1030818151.db2.gz GSMRHVHKRHEYIU-AVRDEDQJSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001205002083 1031484051 /nfs/dbraw/zinc/48/40/51/1031484051.db2.gz YYWBHQVGQOCXAN-OAQYLSRUSA-N 2 1 355.482 2.900 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205293300 1031653154 /nfs/dbraw/zinc/65/31/54/1031653154.db2.gz YWQOPVDZSZWSLZ-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001223779172 1033589841 /nfs/dbraw/zinc/58/98/41/1033589841.db2.gz UTLBWGISWZJSBL-XLIONFOSSA-N 2 1 365.481 2.770 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001223779172 1033589848 /nfs/dbraw/zinc/58/98/48/1033589848.db2.gz UTLBWGISWZJSBL-XLIONFOSSA-N 2 1 365.481 2.770 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223962790 1033662146 /nfs/dbraw/zinc/66/21/46/1033662146.db2.gz TZAVBUFBMPFCPK-YADHBBJMSA-N 2 1 367.537 2.693 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223962790 1033662150 /nfs/dbraw/zinc/66/21/50/1033662150.db2.gz TZAVBUFBMPFCPK-YADHBBJMSA-N 2 1 367.537 2.693 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223962790 1033662160 /nfs/dbraw/zinc/66/21/60/1033662160.db2.gz TZAVBUFBMPFCPK-YADHBBJMSA-N 2 1 367.537 2.693 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001277031112 1034194297 /nfs/dbraw/zinc/19/42/97/1034194297.db2.gz UHJNOVBHJNQRLJ-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001277031112 1034194302 /nfs/dbraw/zinc/19/43/02/1034194302.db2.gz UHJNOVBHJNQRLJ-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001220597562 1034280655 /nfs/dbraw/zinc/28/06/55/1034280655.db2.gz DRYKAZKDSYVZQV-CEXWTWQISA-N 2 1 350.551 2.809 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001226773186 1034831083 /nfs/dbraw/zinc/83/10/83/1034831083.db2.gz DODHSBUVQVUMOS-AQNXPRMDSA-N 2 1 363.546 2.613 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001226825241 1034854305 /nfs/dbraw/zinc/85/43/05/1034854305.db2.gz YNETZTONMNDPND-WOJBJXKFSA-N 2 1 354.498 2.560 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001226843968 1034859074 /nfs/dbraw/zinc/85/90/74/1034859074.db2.gz XLLATNVYFMABMY-UYAOXDASSA-N 2 1 370.541 2.704 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001277735444 1036161626 /nfs/dbraw/zinc/16/16/26/1036161626.db2.gz SPSXFRGCOXTMRY-TZIWHRDSSA-N 2 1 367.578 2.726 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001229503402 1036708773 /nfs/dbraw/zinc/70/87/73/1036708773.db2.gz IABVAJHQZSARBY-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001234016715 1036873418 /nfs/dbraw/zinc/87/34/18/1036873418.db2.gz OHBPIXJCFXPOHW-UHFFFAOYSA-N 2 1 366.509 2.732 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235521909 1037605601 /nfs/dbraw/zinc/60/56/01/1037605601.db2.gz KWHLKGVCGOHKJY-VXKWHMMOSA-N 2 1 356.510 2.906 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC ZINC001236011557 1037887445 /nfs/dbraw/zinc/88/74/45/1037887445.db2.gz AGPYPIBFRJDQSN-OFNKIYASSA-N 2 1 362.473 2.680 20 30 FFEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC ZINC001236011557 1037887453 /nfs/dbraw/zinc/88/74/53/1037887453.db2.gz AGPYPIBFRJDQSN-OFNKIYASSA-N 2 1 362.473 2.680 20 30 FFEDMP N#Cc1ccc(F)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278939570 1038529933 /nfs/dbraw/zinc/52/99/33/1038529933.db2.gz OULKZNHFHAAGGH-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(F)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278939570 1038529939 /nfs/dbraw/zinc/52/99/39/1038529939.db2.gz OULKZNHFHAAGGH-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001208925584 1038591572 /nfs/dbraw/zinc/59/15/72/1038591572.db2.gz IWLKJLKYMCATQE-FQEVSTJZSA-N 2 1 369.509 2.840 20 30 FFEDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001208925584 1038591574 /nfs/dbraw/zinc/59/15/74/1038591574.db2.gz IWLKJLKYMCATQE-FQEVSTJZSA-N 2 1 369.509 2.840 20 30 FFEDMP C#CCOC[C@@H](O)C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001251842790 1039321427 /nfs/dbraw/zinc/32/14/27/1039321427.db2.gz FEBOHYYWGVQXGB-QFIPXVFZSA-N 2 1 370.537 2.684 20 30 FFEDMP C=CCOC[C@H](O)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001252474158 1039549697 /nfs/dbraw/zinc/54/96/97/1039549697.db2.gz VLKCCTLUGPRKFO-OAQYLSRUSA-N 2 1 358.526 2.928 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001247000163 1039572475 /nfs/dbraw/zinc/57/24/75/1039572475.db2.gz HFVMRKDLNRCALJ-AQNXPRMDSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001247000163 1039572486 /nfs/dbraw/zinc/57/24/86/1039572486.db2.gz HFVMRKDLNRCALJ-AQNXPRMDSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213311 1040342768 /nfs/dbraw/zinc/34/27/68/1040342768.db2.gz KJOFKCSDBVQOJT-IPMKNSEASA-N 2 1 365.562 2.669 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC001248676325 1040361003 /nfs/dbraw/zinc/36/10/03/1040361003.db2.gz MNVLMKFYOUTCDN-FQEVSTJZSA-N 2 1 362.562 2.628 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC001248676325 1040361020 /nfs/dbraw/zinc/36/10/20/1040361020.db2.gz MNVLMKFYOUTCDN-FQEVSTJZSA-N 2 1 362.562 2.628 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@H](OC)C1 ZINC001213335319 1040459075 /nfs/dbraw/zinc/45/90/75/1040459075.db2.gz AMLSFAIRHVJCRE-QZTJIDSGSA-N 2 1 363.502 2.517 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213335319 1040459085 /nfs/dbraw/zinc/45/90/85/1040459085.db2.gz AMLSFAIRHVJCRE-QZTJIDSGSA-N 2 1 363.502 2.517 20 30 FFEDMP N#Cc1ccc2c(c1)CC[N@H+](CC1(O)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001254034427 1040535584 /nfs/dbraw/zinc/53/55/84/1040535584.db2.gz KLAGNMIUGDPJOO-UHFFFAOYSA-N 2 1 361.489 2.943 20 30 FFEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664754 1040864934 /nfs/dbraw/zinc/86/49/34/1040864934.db2.gz JNWKZFCBPUSQCZ-MJCUULBUSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664754 1040864941 /nfs/dbraw/zinc/86/49/41/1040864941.db2.gz JNWKZFCBPUSQCZ-MJCUULBUSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001254664754 1040864943 /nfs/dbraw/zinc/86/49/43/1040864943.db2.gz JNWKZFCBPUSQCZ-MJCUULBUSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001254664754 1040864951 /nfs/dbraw/zinc/86/49/51/1040864951.db2.gz JNWKZFCBPUSQCZ-MJCUULBUSA-N 2 1 353.514 2.750 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393229 1041768966 /nfs/dbraw/zinc/76/89/66/1041768966.db2.gz SZVFGFSUMDYKHL-GUDVDZBRSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393229 1041768975 /nfs/dbraw/zinc/76/89/75/1041768975.db2.gz SZVFGFSUMDYKHL-GUDVDZBRSA-N 2 1 353.551 2.503 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001264097471 1042623841 /nfs/dbraw/zinc/62/38/41/1042623841.db2.gz QQBPQNNSYHESQX-RTWAWAEBSA-N 2 1 355.526 2.517 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001264097471 1042623842 /nfs/dbraw/zinc/62/38/42/1042623842.db2.gz QQBPQNNSYHESQX-RTWAWAEBSA-N 2 1 355.526 2.517 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001264097471 1042623843 /nfs/dbraw/zinc/62/38/43/1042623843.db2.gz QQBPQNNSYHESQX-RTWAWAEBSA-N 2 1 355.526 2.517 20 30 FFEDMP CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1c(F)ccc(C#N)c1F)CC2 ZINC001279134298 1042913357 /nfs/dbraw/zinc/91/33/57/1042913357.db2.gz ZHUZCDCDMCSIGX-UHFFFAOYSA-N 2 1 362.468 2.686 20 30 FFEDMP C=CCOc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001279298744 1042989263 /nfs/dbraw/zinc/98/92/63/1042989263.db2.gz KWGGZMFGXJKEDJ-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001279298744 1042989264 /nfs/dbraw/zinc/98/92/64/1042989264.db2.gz KWGGZMFGXJKEDJ-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001279298744 1042989269 /nfs/dbraw/zinc/98/92/69/1042989269.db2.gz KWGGZMFGXJKEDJ-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001279298744 1042989270 /nfs/dbraw/zinc/98/92/70/1042989270.db2.gz KWGGZMFGXJKEDJ-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001279298744 1042989271 /nfs/dbraw/zinc/98/92/71/1042989271.db2.gz KWGGZMFGXJKEDJ-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C#CCOc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1 ZINC001279594663 1043311169 /nfs/dbraw/zinc/31/11/69/1043311169.db2.gz BOWHKQLZLIDYKK-YADHBBJMSA-N 2 1 355.526 2.785 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001342247668 1050839246 /nfs/dbraw/zinc/83/92/46/1050839246.db2.gz NKPFLBPGLFXREZ-MSOLQXFVSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001479475968 1062453239 /nfs/dbraw/zinc/45/32/39/1062453239.db2.gz NVOWXCMOYLDBKX-HDMKZQKVSA-N 2 1 359.917 2.826 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001479708191 1062856256 /nfs/dbraw/zinc/85/62/56/1062856256.db2.gz CKBVHNBUGCOVOB-AHRSYUTCSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001479708191 1062856284 /nfs/dbraw/zinc/85/62/84/1062856284.db2.gz CKBVHNBUGCOVOB-AHRSYUTCSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001479708191 1062856310 /nfs/dbraw/zinc/85/63/10/1062856310.db2.gz CKBVHNBUGCOVOB-AHRSYUTCSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001467868199 1063871227 /nfs/dbraw/zinc/87/12/27/1063871227.db2.gz IWQXPXQLBMUOQJ-LJQANCHMSA-N 2 1 370.541 2.673 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001467868199 1063871234 /nfs/dbraw/zinc/87/12/34/1063871234.db2.gz IWQXPXQLBMUOQJ-LJQANCHMSA-N 2 1 370.541 2.673 20 30 FFEDMP C=CC1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001574881583 1078089851 /nfs/dbraw/zinc/08/98/51/1078089851.db2.gz LGOAFXXPIBBODZ-PKOBYXMFSA-N 2 1 374.577 2.878 20 30 FFEDMP C#CC[C@]1(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC001574505627 1078004202 /nfs/dbraw/zinc/00/42/02/1078004202.db2.gz XRGXSAUCXBKUHR-IFMALSPDSA-N 2 1 353.510 2.645 20 30 FFEDMP C#CC[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574517819 1078007583 /nfs/dbraw/zinc/00/75/83/1078007583.db2.gz QOPYIWAKZHFZRM-UNMCSNQZSA-N 2 1 353.510 2.550 20 30 FFEDMP Cn1cc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)cc1C#N ZINC000276802579 256132104 /nfs/dbraw/zinc/13/21/04/256132104.db2.gz WBSDUBFZYODZOT-KRWDZBQOSA-N 2 1 355.511 2.840 20 30 FFEDMP C=CCc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc(OC)c1O ZINC000371333034 512335740 /nfs/dbraw/zinc/33/57/40/512335740.db2.gz BYPHDIAPDHLYFW-FQEVSTJZSA-N 2 1 373.541 2.730 20 30 FFEDMP C=CCc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000377620507 512357523 /nfs/dbraw/zinc/35/75/23/512357523.db2.gz DTSLHNWDKNLXLZ-HXUWFJFHSA-N 2 1 373.541 2.730 20 30 FFEDMP N#CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000128089404 508546002 /nfs/dbraw/zinc/54/60/02/508546002.db2.gz BQTLLBMFNPELQV-UTZODRGISA-N 2 1 353.510 2.968 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158732605 508746022 /nfs/dbraw/zinc/74/60/22/508746022.db2.gz GMUZUMHQYKCUHV-TZIWHRDSSA-N 2 1 368.525 2.966 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000124887520 508900137 /nfs/dbraw/zinc/90/01/37/508900137.db2.gz VPLLXTDBHLJPKL-QGZVFWFLSA-N 2 1 362.905 2.700 20 30 FFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000185881773 509404854 /nfs/dbraw/zinc/40/48/54/509404854.db2.gz JQPPFZAHUIURRH-IEBWSBKVSA-N 2 1 370.497 2.519 20 30 FFEDMP N#Cc1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn2ccccc12 ZINC000173951103 509871780 /nfs/dbraw/zinc/87/17/80/509871780.db2.gz FNRBBQGPRCNQNT-UHFFFAOYSA-N 2 1 352.482 2.888 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000246274315 510399060 /nfs/dbraw/zinc/39/90/60/510399060.db2.gz JGCHFXKCCZVBDM-IPMKNSEASA-N 2 1 350.551 2.667 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747544 510497421 /nfs/dbraw/zinc/49/74/21/510497421.db2.gz JYWDNKGKURQAMI-WIJYIEBRSA-N 2 1 368.525 2.541 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747544 510497428 /nfs/dbraw/zinc/49/74/28/510497428.db2.gz JYWDNKGKURQAMI-WIJYIEBRSA-N 2 1 368.525 2.541 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246885198 510726315 /nfs/dbraw/zinc/72/63/15/510726315.db2.gz QRVNRKHWGFCZAP-AOIWGVFYSA-N 2 1 358.530 2.666 20 30 FFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246944598 510760852 /nfs/dbraw/zinc/76/08/52/510760852.db2.gz NRYJTLZIRVKBAZ-MAUKXSAKSA-N 2 1 360.889 2.956 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246944598 510760857 /nfs/dbraw/zinc/76/08/57/510760857.db2.gz NRYJTLZIRVKBAZ-MAUKXSAKSA-N 2 1 360.889 2.956 20 30 FFEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329959475 510887540 /nfs/dbraw/zinc/88/75/40/510887540.db2.gz QPDVOAJRXGNMIM-AOIWGVFYSA-N 2 1 367.497 2.785 20 30 FFEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329959475 510887545 /nfs/dbraw/zinc/88/75/45/510887545.db2.gz QPDVOAJRXGNMIM-AOIWGVFYSA-N 2 1 367.497 2.785 20 30 FFEDMP CC[NH+]1CCN(CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285480313 510923349 /nfs/dbraw/zinc/92/33/49/510923349.db2.gz BKUYSFQFIHFLJZ-UHFFFAOYSA-N 2 1 369.557 2.534 20 30 FFEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000279463596 511092036 /nfs/dbraw/zinc/09/20/36/511092036.db2.gz URASYMYLTCWZCX-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000279463596 511092039 /nfs/dbraw/zinc/09/20/39/511092039.db2.gz URASYMYLTCWZCX-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000279463596 511092040 /nfs/dbraw/zinc/09/20/40/511092040.db2.gz URASYMYLTCWZCX-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000279463596 511092042 /nfs/dbraw/zinc/09/20/42/511092042.db2.gz URASYMYLTCWZCX-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](c3nccn3C)C2)C1 ZINC000328755092 511926954 /nfs/dbraw/zinc/92/69/54/511926954.db2.gz FCFMUVLWYBVROX-IXDOHACOSA-N 2 1 361.534 2.880 20 30 FFEDMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329518280 512062085 /nfs/dbraw/zinc/06/20/85/512062085.db2.gz DZFQSQRYFVYXSG-BRWVUGGUSA-N 2 1 373.545 2.826 20 30 FFEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329518280 512062091 /nfs/dbraw/zinc/06/20/91/512062091.db2.gz DZFQSQRYFVYXSG-BRWVUGGUSA-N 2 1 373.545 2.826 20 30 FFEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000481925080 515514583 /nfs/dbraw/zinc/51/45/83/515514583.db2.gz LZZLHATZVYKTRQ-ICSRJNTNSA-N 2 1 354.498 2.503 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1)CC(C)C ZINC000552993873 517469740 /nfs/dbraw/zinc/46/97/40/517469740.db2.gz WUNCDYKHMBUATB-GOSISDBHSA-N 2 1 350.551 2.827 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000527049854 517472926 /nfs/dbraw/zinc/47/29/26/517472926.db2.gz GYFLUUWBURFTPF-CABCVRRESA-N 2 1 351.454 2.782 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000557485328 518029182 /nfs/dbraw/zinc/02/91/82/518029182.db2.gz GRWCWZUZMYWXCJ-KRWDZBQOSA-N 2 1 368.525 2.932 20 30 FFEDMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC#N)CC1 ZINC000563708457 518082598 /nfs/dbraw/zinc/08/25/98/518082598.db2.gz NZOQJOJDHIWSSP-WIYYLYMNSA-N 2 1 368.525 2.781 20 30 FFEDMP N#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000584498898 518368436 /nfs/dbraw/zinc/36/84/36/518368436.db2.gz LDTJYPDRIBJRNU-INIZCTEOSA-N 2 1 355.404 2.904 20 30 FFEDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186674 518955427 /nfs/dbraw/zinc/95/54/27/518955427.db2.gz DFEQIKFXIKFRSP-NRFANRHFSA-N 2 1 364.497 2.776 20 30 FFEDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186674 518955433 /nfs/dbraw/zinc/95/54/33/518955433.db2.gz DFEQIKFXIKFRSP-NRFANRHFSA-N 2 1 364.497 2.776 20 30 FFEDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186674 518955438 /nfs/dbraw/zinc/95/54/38/518955438.db2.gz DFEQIKFXIKFRSP-NRFANRHFSA-N 2 1 364.497 2.776 20 30 FFEDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186674 518955444 /nfs/dbraw/zinc/95/54/44/518955444.db2.gz DFEQIKFXIKFRSP-NRFANRHFSA-N 2 1 364.497 2.776 20 30 FFEDMP COc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C#N ZINC000577580083 519147290 /nfs/dbraw/zinc/14/72/90/519147290.db2.gz OYTZUCRZVNJJSD-NRFANRHFSA-N 2 1 364.493 2.645 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000583626428 519348941 /nfs/dbraw/zinc/34/89/41/519348941.db2.gz RJZFCTSBWYNFQI-UHFFFAOYSA-N 2 1 371.506 2.573 20 30 FFEDMP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000609739392 520417751 /nfs/dbraw/zinc/41/77/51/520417751.db2.gz DHOBOKMVSKJJDF-WOJBJXKFSA-N 2 1 363.461 2.797 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000600720645 520421872 /nfs/dbraw/zinc/42/18/72/520421872.db2.gz IMHQGCRMFOZJST-SFTDATJTSA-N 2 1 371.525 2.560 20 30 FFEDMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612788 520742954 /nfs/dbraw/zinc/74/29/54/520742954.db2.gz DCIDHHAXPCUEIR-CVEARBPZSA-N 2 1 350.532 2.506 20 30 FFEDMP N#Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C(F)(F)F)c1 ZINC000595895761 520801437 /nfs/dbraw/zinc/80/14/37/520801437.db2.gz UWNNLXQTPZLHAZ-OAHLLOKOSA-N 2 1 353.388 2.764 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C(F)(F)F)c1 ZINC000595895761 520801442 /nfs/dbraw/zinc/80/14/42/520801442.db2.gz UWNNLXQTPZLHAZ-OAHLLOKOSA-N 2 1 353.388 2.764 20 30 FFEDMP Cc1ccc(C#N)nc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000596152643 520942379 /nfs/dbraw/zinc/94/23/79/520942379.db2.gz KFMFLUKHKQZIPV-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1)CC1CC1 ZINC000611303657 521091393 /nfs/dbraw/zinc/09/13/93/521091393.db2.gz ILLCMJWGDBMVJE-OAQYLSRUSA-N 2 1 360.546 2.629 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)C(C)C ZINC000606641463 521119676 /nfs/dbraw/zinc/11/96/76/521119676.db2.gz AWJARAYPPOIEDD-MOPGFXCFSA-N 2 1 350.551 2.667 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596632846 521178195 /nfs/dbraw/zinc/17/81/95/521178195.db2.gz PPLVFTQDYXOCPF-OXJNMPFZSA-N 2 1 371.529 2.507 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596632846 521178202 /nfs/dbraw/zinc/17/82/02/521178202.db2.gz PPLVFTQDYXOCPF-OXJNMPFZSA-N 2 1 371.529 2.507 20 30 FFEDMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602599938 521432709 /nfs/dbraw/zinc/43/27/09/521432709.db2.gz CWZHBYHKNFJOFD-MOPGFXCFSA-N 2 1 354.498 2.521 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000597021797 521452517 /nfs/dbraw/zinc/45/25/17/521452517.db2.gz SCMJPOAPMOGJSD-NQIIRXRSSA-N 2 1 352.526 2.700 20 30 FFEDMP N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000602659399 521462970 /nfs/dbraw/zinc/46/29/70/521462970.db2.gz MIUPYDBSIQXEEQ-UHFFFAOYSA-N 2 1 372.488 2.511 20 30 FFEDMP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085509091 728429638 /nfs/dbraw/zinc/42/96/38/728429638.db2.gz JMLWZIJMMOONLB-OAHLLOKOSA-N 2 1 359.905 2.766 20 30 FFEDMP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000085509091 728429639 /nfs/dbraw/zinc/42/96/39/728429639.db2.gz JMLWZIJMMOONLB-OAHLLOKOSA-N 2 1 359.905 2.766 20 30 FFEDMP CC[NH+]=C(NCCc1sc(C)nc1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086911642 728432554 /nfs/dbraw/zinc/43/25/54/728432554.db2.gz ADVDWUZAUSOIFP-ALOPSCKCSA-N 2 1 363.575 2.873 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262025655 729657750 /nfs/dbraw/zinc/65/77/50/729657750.db2.gz NFIRFMDTMCIQRQ-CKEIUWERSA-N 2 1 368.884 2.555 20 30 FFEDMP C[NH+]=C(NCc1cc(F)ccc1SC)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262775261 729670913 /nfs/dbraw/zinc/67/09/13/729670913.db2.gz JTQCCDAPNSRCFK-SWLSCSKDSA-N 2 1 350.507 2.838 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1C ZINC000304763327 729737469 /nfs/dbraw/zinc/73/74/69/729737469.db2.gz WQZPQOBQNSMVNA-OAHLLOKOSA-N 2 1 353.308 2.646 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900974 732294692 /nfs/dbraw/zinc/29/46/92/732294692.db2.gz VVANWFZWNMGNRW-GBESFXJTSA-N 2 1 361.917 2.969 20 30 FFEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000764626347 737036487 /nfs/dbraw/zinc/03/64/87/737036487.db2.gz ZMTVJJNASGOVKX-RHSMWYFYSA-N 2 1 353.869 2.706 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000778167924 738360713 /nfs/dbraw/zinc/36/07/13/738360713.db2.gz UKQNEIBSOINSKT-UHFFFAOYSA-N 2 1 363.933 2.715 20 30 FFEDMP C=CCC(F)(F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000815765902 741958398 /nfs/dbraw/zinc/95/83/98/741958398.db2.gz HWZNYJNLUKRTBB-UHFFFAOYSA-N 2 1 357.489 2.853 20 30 FFEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029100482 965762969 /nfs/dbraw/zinc/76/29/69/965762969.db2.gz AAQYIAVYHZDNBT-CSODHUTKSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCCn1cc(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)nn1 ZINC000657358584 966277805 /nfs/dbraw/zinc/27/78/05/966277805.db2.gz YXNRDQYKRIIROP-UHFFFAOYSA-N 2 1 374.558 2.875 20 30 FFEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)CC1 ZINC001075453750 966842504 /nfs/dbraw/zinc/84/25/04/966842504.db2.gz AGFCAOXBIJTYLN-MISYRCLQSA-N 2 1 368.525 2.877 20 30 FFEDMP Cc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000329739386 967987682 /nfs/dbraw/zinc/98/76/82/967987682.db2.gz NIZGARSYOXZVBB-RTBURBONSA-N 2 1 371.529 2.820 20 30 FFEDMP Cc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000329739386 967987685 /nfs/dbraw/zinc/98/76/85/967987685.db2.gz NIZGARSYOXZVBB-RTBURBONSA-N 2 1 371.529 2.820 20 30 FFEDMP c1coc(CCNC(=[NH+]C2CC2)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000262608749 968182993 /nfs/dbraw/zinc/18/29/93/968182993.db2.gz ALCVCDGLRMRJDI-OXQOHEQNSA-N 2 1 356.514 2.879 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087625449 968405347 /nfs/dbraw/zinc/40/53/47/968405347.db2.gz IKSKUIJJPVXSEF-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087625449 968405357 /nfs/dbraw/zinc/40/53/57/968405357.db2.gz IKSKUIJJPVXSEF-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087625449 968405363 /nfs/dbraw/zinc/40/53/63/968405363.db2.gz IKSKUIJJPVXSEF-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087625449 968405369 /nfs/dbraw/zinc/40/53/69/968405369.db2.gz IKSKUIJJPVXSEF-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087699929 968654679 /nfs/dbraw/zinc/65/46/79/968654679.db2.gz SGHDPUBGFZEGSC-IDPBPBMLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1C#N ZINC001087699929 968654687 /nfs/dbraw/zinc/65/46/87/968654687.db2.gz SGHDPUBGFZEGSC-IDPBPBMLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1C#N ZINC001087699929 968654700 /nfs/dbraw/zinc/65/47/00/968654700.db2.gz SGHDPUBGFZEGSC-IDPBPBMLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1C#N ZINC001087699929 968654705 /nfs/dbraw/zinc/65/47/05/968654705.db2.gz SGHDPUBGFZEGSC-IDPBPBMLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087727529 968771638 /nfs/dbraw/zinc/77/16/38/968771638.db2.gz BFOMOTZKJYWKRP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087727529 968771649 /nfs/dbraw/zinc/77/16/49/968771649.db2.gz BFOMOTZKJYWKRP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087727529 968771658 /nfs/dbraw/zinc/77/16/58/968771658.db2.gz BFOMOTZKJYWKRP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211635407 969191617 /nfs/dbraw/zinc/19/16/17/969191617.db2.gz YDFNNMLZOFKTIU-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680435 970082591 /nfs/dbraw/zinc/08/25/91/970082591.db2.gz QFZRFMPHDTWXHL-NZSAHSFTSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481112908 970096029 /nfs/dbraw/zinc/09/60/29/970096029.db2.gz UKAZNFCNAOSAOT-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001481112908 970096035 /nfs/dbraw/zinc/09/60/35/970096035.db2.gz UKAZNFCNAOSAOT-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001481112908 970096044 /nfs/dbraw/zinc/09/60/44/970096044.db2.gz UKAZNFCNAOSAOT-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001279145070 972869105 /nfs/dbraw/zinc/86/91/05/972869105.db2.gz GZMVJYDAXCFEKC-UHFFFAOYSA-N 2 1 357.498 2.857 20 30 FFEDMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001279145070 972869115 /nfs/dbraw/zinc/86/91/15/972869115.db2.gz GZMVJYDAXCFEKC-UHFFFAOYSA-N 2 1 357.498 2.857 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001029742304 974186705 /nfs/dbraw/zinc/18/67/05/974186705.db2.gz QEROTMUMNZFYHJ-PCCBWWKXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001029742304 974186707 /nfs/dbraw/zinc/18/67/07/974186707.db2.gz QEROTMUMNZFYHJ-PCCBWWKXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001029742304 974186712 /nfs/dbraw/zinc/18/67/12/974186712.db2.gz QEROTMUMNZFYHJ-PCCBWWKXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961369787 1014174296 /nfs/dbraw/zinc/17/42/96/1014174296.db2.gz YVDKCASSVSRSIY-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369787 1014174301 /nfs/dbraw/zinc/17/43/01/1014174301.db2.gz YVDKCASSVSRSIY-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369787 1014174307 /nfs/dbraw/zinc/17/43/07/1014174307.db2.gz YVDKCASSVSRSIY-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001027420139 974409477 /nfs/dbraw/zinc/40/94/77/974409477.db2.gz YOTWMGSCHXEGAQ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001027420139 974409484 /nfs/dbraw/zinc/40/94/84/974409484.db2.gz YOTWMGSCHXEGAQ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001027420139 974409487 /nfs/dbraw/zinc/40/94/87/974409487.db2.gz YOTWMGSCHXEGAQ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211690476 975360865 /nfs/dbraw/zinc/36/08/65/975360865.db2.gz BEAXRUOCPPYCCS-LEWJYISDSA-N 2 1 364.493 2.579 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C(=O)OCC)cc2)CC1 ZINC001142603470 976772151 /nfs/dbraw/zinc/77/21/51/976772151.db2.gz LNEOMKKRRPWYMR-UHFFFAOYSA-N 2 1 371.525 2.655 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261633439 977391099 /nfs/dbraw/zinc/39/10/99/977391099.db2.gz COTDAOFUJHIDGI-XFZLJDJSSA-N 2 1 360.546 2.514 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001087459600 977981825 /nfs/dbraw/zinc/98/18/25/977981825.db2.gz NDHJAMBIKRHAES-WOJBJXKFSA-N 2 1 370.472 2.652 20 30 FFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCS[C@H](CC)C1 ZINC000261760715 978086887 /nfs/dbraw/zinc/08/68/87/978086887.db2.gz CXJHSZIRVRUAMX-QGZVFWFLSA-N 2 1 372.542 2.869 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000905710378 980493775 /nfs/dbraw/zinc/49/37/75/980493775.db2.gz XBGAWNSHFHOUFB-ANULTFPQSA-N 2 1 353.510 2.931 20 30 FFEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000969042071 1014760174 /nfs/dbraw/zinc/76/01/74/1014760174.db2.gz GYPXMSDCRUEUTE-BDTNDASRSA-N 2 1 367.537 2.716 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088655912 982205841 /nfs/dbraw/zinc/20/58/41/982205841.db2.gz YBMSOTGLVQSRJP-XLIONFOSSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1Cc1ccccc1C#N ZINC001088655912 982205845 /nfs/dbraw/zinc/20/58/45/982205845.db2.gz YBMSOTGLVQSRJP-XLIONFOSSA-N 2 1 366.509 2.513 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088693407 982798515 /nfs/dbraw/zinc/79/85/15/982798515.db2.gz YESDAYASIQOVJZ-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088693407 982798518 /nfs/dbraw/zinc/79/85/18/982798518.db2.gz YESDAYASIQOVJZ-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088693407 982798525 /nfs/dbraw/zinc/79/85/25/982798525.db2.gz YESDAYASIQOVJZ-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CCc2ccccc21 ZINC000073029510 983992774 /nfs/dbraw/zinc/99/27/74/983992774.db2.gz JEUIMWSKAPKXTP-UHFFFAOYSA-N 2 1 369.557 2.575 20 30 FFEDMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2)[NH+](C)C ZINC001107450454 984554475 /nfs/dbraw/zinc/55/44/75/984554475.db2.gz HVLOEYSPHFLAMH-MQSCRBSSSA-N 2 1 367.537 2.739 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485153 984588521 /nfs/dbraw/zinc/58/85/21/984588521.db2.gz MDRZEFJTVNNXAR-TZIWHRDSSA-N 2 1 359.558 2.883 20 30 FFEDMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC#Cc1ccccc1)CC2 ZINC001107598482 984775203 /nfs/dbraw/zinc/77/52/03/984775203.db2.gz DVIHMFOHHBBLJX-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001107598482 984775208 /nfs/dbraw/zinc/77/52/08/984775208.db2.gz DVIHMFOHHBBLJX-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001107598482 984775211 /nfs/dbraw/zinc/77/52/11/984775211.db2.gz DVIHMFOHHBBLJX-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646664 984938939 /nfs/dbraw/zinc/93/89/39/984938939.db2.gz PATKVZLGQBAWIV-KCZVDYSFSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953042 985403698 /nfs/dbraw/zinc/40/36/98/985403698.db2.gz PETSEPORSIGHFR-QKNQBKEWSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953042 985403704 /nfs/dbraw/zinc/40/37/04/985403704.db2.gz PETSEPORSIGHFR-QKNQBKEWSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953042 985403710 /nfs/dbraw/zinc/40/37/10/985403710.db2.gz PETSEPORSIGHFR-QKNQBKEWSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212353457 985518147 /nfs/dbraw/zinc/51/81/47/985518147.db2.gz QUYBNFJPDLWOCA-USXIJHARSA-N 2 1 365.543 2.593 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212353457 985518149 /nfs/dbraw/zinc/51/81/49/985518149.db2.gz QUYBNFJPDLWOCA-USXIJHARSA-N 2 1 365.543 2.593 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3C)[C@@H]2C)CC1 ZINC001089059386 986140247 /nfs/dbraw/zinc/14/02/47/986140247.db2.gz KBTFIXCTGPMAHA-UTKZUKDTSA-N 2 1 371.500 2.558 20 30 FFEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1OC ZINC000922388396 988533531 /nfs/dbraw/zinc/53/35/31/988533531.db2.gz PLGQMEKKDRUPHU-YHBROIRLSA-N 2 1 374.525 2.829 20 30 FFEDMP C=CCc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc(OC)c1O ZINC000922388858 988534868 /nfs/dbraw/zinc/53/48/68/988534868.db2.gz RVMQLZJRTQHSNO-UBBRYJJRSA-N 2 1 374.525 2.699 20 30 FFEDMP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386159 988541453 /nfs/dbraw/zinc/54/14/53/988541453.db2.gz CIEQMUPQHJSGNJ-YUMYIRISSA-N 2 1 356.510 2.658 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033441347 989588446 /nfs/dbraw/zinc/58/84/46/989588446.db2.gz AEGRSYZHMWQRHC-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033441347 989588448 /nfs/dbraw/zinc/58/84/48/989588448.db2.gz AEGRSYZHMWQRHC-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033441347 989588457 /nfs/dbraw/zinc/58/84/57/989588457.db2.gz AEGRSYZHMWQRHC-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000923365083 991094899 /nfs/dbraw/zinc/09/48/99/991094899.db2.gz SEJXPGRGNPTPAH-ZCNNSNEGSA-N 2 1 374.525 2.627 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483915 993091450 /nfs/dbraw/zinc/09/14/50/993091450.db2.gz BNNGNBVPQDXZCD-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483915 993091454 /nfs/dbraw/zinc/09/14/54/993091454.db2.gz BNNGNBVPQDXZCD-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483915 993091459 /nfs/dbraw/zinc/09/14/59/993091459.db2.gz BNNGNBVPQDXZCD-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080553490 993158356 /nfs/dbraw/zinc/15/83/56/993158356.db2.gz YXNNOFVQQBPPCF-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080553490 993158360 /nfs/dbraw/zinc/15/83/60/993158360.db2.gz YXNNOFVQQBPPCF-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080553490 993158364 /nfs/dbraw/zinc/15/83/64/993158364.db2.gz YXNNOFVQQBPPCF-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3F)C[C@H]2C)CC1 ZINC001080992401 993543040 /nfs/dbraw/zinc/54/30/40/993543040.db2.gz IYDNEDNRMKBACB-LLGFUMIMSA-N 2 1 371.500 2.668 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]2C)CC1 ZINC001080997859 993548660 /nfs/dbraw/zinc/54/86/60/993548660.db2.gz MTXFPAGFWQQCBL-XQBPLPMBSA-N 2 1 367.537 2.838 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1c1ccccc1 ZINC001081118433 993684528 /nfs/dbraw/zinc/68/45/28/993684528.db2.gz CQTONSZFTZOLAQ-YZGWKJHDSA-N 2 1 364.493 2.614 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081231761 993770289 /nfs/dbraw/zinc/77/02/89/993770289.db2.gz OLCJMIHPELBEPY-BHDDXSALSA-N 2 1 361.489 2.507 20 30 FFEDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000880516886 1015861441 /nfs/dbraw/zinc/86/14/41/1015861441.db2.gz BZDRFAWPMOTPMX-UHFFFAOYSA-N 2 1 367.497 2.618 20 30 FFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000880516886 1015861446 /nfs/dbraw/zinc/86/14/46/1015861446.db2.gz BZDRFAWPMOTPMX-UHFFFAOYSA-N 2 1 367.497 2.618 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941187 998231936 /nfs/dbraw/zinc/23/19/36/998231936.db2.gz UGSAPEYIOFHRBV-SBHAEUEKSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941187 998231947 /nfs/dbraw/zinc/23/19/47/998231947.db2.gz UGSAPEYIOFHRBV-SBHAEUEKSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941187 998231957 /nfs/dbraw/zinc/23/19/57/998231957.db2.gz UGSAPEYIOFHRBV-SBHAEUEKSA-N 2 1 357.542 2.587 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001085203619 999157027 /nfs/dbraw/zinc/15/70/27/999157027.db2.gz SUWBXUKPFZJSLK-DOIPELPJSA-N 2 1 368.525 2.806 20 30 FFEDMP COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C#N ZINC000742366274 999770765 /nfs/dbraw/zinc/77/07/65/999770765.db2.gz RIRBJCRRBXDRPQ-GOSISDBHSA-N 2 1 370.522 2.707 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512781 1000584387 /nfs/dbraw/zinc/58/43/87/1000584387.db2.gz ZKVPMPKYZYXDSH-BEKAIBRUSA-N 2 1 365.481 2.957 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109529177 1000604914 /nfs/dbraw/zinc/60/49/14/1000604914.db2.gz ZELCGLXXLPYGMO-WQDJSCAQSA-N 2 1 356.514 2.838 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001109529177 1000604918 /nfs/dbraw/zinc/60/49/18/1000604918.db2.gz ZELCGLXXLPYGMO-WQDJSCAQSA-N 2 1 356.514 2.838 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001109714688 1000881755 /nfs/dbraw/zinc/88/17/55/1000881755.db2.gz SLNKLOFUPYBCLA-FDPIWHGQSA-N 2 1 374.554 2.962 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001109714688 1000881766 /nfs/dbraw/zinc/88/17/66/1000881766.db2.gz SLNKLOFUPYBCLA-FDPIWHGQSA-N 2 1 374.554 2.962 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276166403 1016444430 /nfs/dbraw/zinc/44/44/30/1016444430.db2.gz KIDNWPWSSKOEAG-NRFANRHFSA-N 2 1 350.466 2.934 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276166403 1016444435 /nfs/dbraw/zinc/44/44/35/1016444435.db2.gz KIDNWPWSSKOEAG-NRFANRHFSA-N 2 1 350.466 2.934 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672347 1001016220 /nfs/dbraw/zinc/01/62/20/1001016220.db2.gz MJWDZIBFNLXCFH-APWZRJJASA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672347 1001016224 /nfs/dbraw/zinc/01/62/24/1001016224.db2.gz MJWDZIBFNLXCFH-APWZRJJASA-N 2 1 353.938 2.784 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109968337 1001210020 /nfs/dbraw/zinc/21/00/20/1001210020.db2.gz AVOSHHJJDKCBQM-AABGKKOBSA-N 2 1 365.562 2.813 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092190899 1002484318 /nfs/dbraw/zinc/48/43/18/1002484318.db2.gz ZDLSYLAYDJILQL-HJNYFJLDSA-N 2 1 355.526 2.820 20 30 FFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605832 1002925631 /nfs/dbraw/zinc/92/56/31/1002925631.db2.gz XXGHWDRUISYNTO-PCCBWWKXSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001086605832 1002925641 /nfs/dbraw/zinc/92/56/41/1002925641.db2.gz XXGHWDRUISYNTO-PCCBWWKXSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001086605832 1002925648 /nfs/dbraw/zinc/92/56/48/1002925648.db2.gz XXGHWDRUISYNTO-PCCBWWKXSA-N 2 1 355.526 2.879 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097065816 1016967496 /nfs/dbraw/zinc/96/74/96/1016967496.db2.gz FXOMUOSRDILKTC-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097065816 1016967510 /nfs/dbraw/zinc/96/75/10/1016967510.db2.gz FXOMUOSRDILKTC-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001097065816 1016967521 /nfs/dbraw/zinc/96/75/21/1016967521.db2.gz FXOMUOSRDILKTC-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001097065816 1016967531 /nfs/dbraw/zinc/96/75/31/1016967531.db2.gz FXOMUOSRDILKTC-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001190317218 1007566191 /nfs/dbraw/zinc/56/61/91/1007566191.db2.gz FMQKCJGMOWIPGL-HQDVTNBMSA-N 2 1 357.542 2.611 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178702930 1009098899 /nfs/dbraw/zinc/09/88/99/1009098899.db2.gz WLKKKSPYCOICTN-UFYCRDLUSA-N 2 1 354.498 2.641 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110822093 1009874419 /nfs/dbraw/zinc/87/44/19/1009874419.db2.gz ZELCGLXXLPYGMO-QXOCSCLMSA-N 2 1 356.514 2.838 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110822093 1009874436 /nfs/dbraw/zinc/87/44/36/1009874436.db2.gz ZELCGLXXLPYGMO-QXOCSCLMSA-N 2 1 356.514 2.838 20 30 FFEDMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110152904 1010810595 /nfs/dbraw/zinc/81/05/95/1010810595.db2.gz IFXFEQHOVDXQNQ-FSSWDIPSSA-N 2 1 365.521 2.636 20 30 FFEDMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110152904 1010810602 /nfs/dbraw/zinc/81/06/02/1010810602.db2.gz IFXFEQHOVDXQNQ-FSSWDIPSSA-N 2 1 365.521 2.636 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094427692 1011112227 /nfs/dbraw/zinc/11/22/27/1011112227.db2.gz ZAIQNOWEOODJES-YLJYHZDGSA-N 2 1 359.539 2.807 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CC[NH+](C)C)CCC[C@@H]12 ZINC001094478536 1011169202 /nfs/dbraw/zinc/16/92/02/1011169202.db2.gz LMWPIOBTXACYIO-IFMALSPDSA-N 2 1 355.526 2.951 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582457 1011264953 /nfs/dbraw/zinc/26/49/53/1011264953.db2.gz OYCMSPBANQWTCR-IFMALSPDSA-N 2 1 353.510 2.746 20 30 FFEDMP COc1ccc([C@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303722605 1012410794 /nfs/dbraw/zinc/41/07/94/1012410794.db2.gz YJNUVGFTFDNLDK-NRFANRHFSA-N 2 1 366.509 2.979 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303780418 1012427466 /nfs/dbraw/zinc/42/74/66/1012427466.db2.gz LIMFDIDXADSJRM-QGZVFWFLSA-N 2 1 361.509 2.527 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000303890913 1012502214 /nfs/dbraw/zinc/50/22/14/1012502214.db2.gz MVOAULATUPQAKZ-UHFFFAOYSA-N 2 1 366.425 2.520 20 30 FFEDMP CCC[NH+](CCC)CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422434 1012568608 /nfs/dbraw/zinc/56/86/08/1012568608.db2.gz PLGMMPCGNLMADJ-UHFFFAOYSA-N 2 1 356.514 2.874 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001052395773 1017395195 /nfs/dbraw/zinc/39/51/95/1017395195.db2.gz ZVRHEININBJYNO-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001052395773 1017395208 /nfs/dbraw/zinc/39/52/08/1017395208.db2.gz ZVRHEININBJYNO-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001052395773 1017395220 /nfs/dbraw/zinc/39/52/20/1017395220.db2.gz ZVRHEININBJYNO-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)C)CCO1)C2 ZINC001110942419 1018890776 /nfs/dbraw/zinc/89/07/76/1018890776.db2.gz LGPQWOBPNMKGLT-YSTOQKLRSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942419 1018890793 /nfs/dbraw/zinc/89/07/93/1018890793.db2.gz LGPQWOBPNMKGLT-YSTOQKLRSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942419 1018890805 /nfs/dbraw/zinc/89/08/05/1018890805.db2.gz LGPQWOBPNMKGLT-YSTOQKLRSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110942419 1018890821 /nfs/dbraw/zinc/89/08/21/1018890821.db2.gz LGPQWOBPNMKGLT-YSTOQKLRSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110942419 1018890839 /nfs/dbraw/zinc/89/08/39/1018890839.db2.gz LGPQWOBPNMKGLT-YSTOQKLRSA-N 2 1 365.562 2.788 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110958934 1019252973 /nfs/dbraw/zinc/25/29/73/1019252973.db2.gz ALLNHVSGCCNQCG-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110958934 1019252979 /nfs/dbraw/zinc/25/29/79/1019252979.db2.gz ALLNHVSGCCNQCG-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111189115 1022314418 /nfs/dbraw/zinc/31/44/18/1022314418.db2.gz VAHOLNNDOZTVPK-QRVBRYPASA-N 2 1 351.454 2.569 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111189115 1022314429 /nfs/dbraw/zinc/31/44/29/1022314429.db2.gz VAHOLNNDOZTVPK-QRVBRYPASA-N 2 1 351.454 2.569 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001122401771 1023246893 /nfs/dbraw/zinc/24/68/93/1023246893.db2.gz FMUJNHMPJIGBNQ-SJORKVTESA-N 2 1 360.550 2.582 20 30 FFEDMP Cc1ccn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=O)c1C#N ZINC000758250350 1023996877 /nfs/dbraw/zinc/99/68/77/1023996877.db2.gz YJVTWKDTEZFDSL-UHFFFAOYSA-N 2 1 365.481 2.619 20 30 FFEDMP Cc1ccn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=O)c1C#N ZINC000758250350 1023996885 /nfs/dbraw/zinc/99/68/85/1023996885.db2.gz YJVTWKDTEZFDSL-UHFFFAOYSA-N 2 1 365.481 2.619 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC/C=C\CCC)C[C@@]3(C)C2)CC1 ZINC001101473356 1024835564 /nfs/dbraw/zinc/83/55/64/1024835564.db2.gz RMLQNORZODVUJO-OENHHBGDSA-N 2 1 371.569 2.858 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624905 1033249416 /nfs/dbraw/zinc/24/94/16/1033249416.db2.gz XVYIGNVHYJYWJS-HSALFYBXSA-N 2 1 365.562 2.765 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108679 1025436394 /nfs/dbraw/zinc/43/63/94/1025436394.db2.gz XIESGOYYYVZQOU-CEXWTWQISA-N 2 1 358.530 2.947 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622662 1026444342 /nfs/dbraw/zinc/44/43/42/1026444342.db2.gz IXQQEPHBIVRWFB-PZJWPPBQSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622662 1026444348 /nfs/dbraw/zinc/44/43/48/1026444348.db2.gz IXQQEPHBIVRWFB-PZJWPPBQSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622662 1026444351 /nfs/dbraw/zinc/44/43/51/1026444351.db2.gz IXQQEPHBIVRWFB-PZJWPPBQSA-N 2 1 370.541 2.636 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090398 1026951849 /nfs/dbraw/zinc/95/18/49/1026951849.db2.gz UEGIAWYTJZIMOT-IEBWSBKVSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090398 1026951850 /nfs/dbraw/zinc/95/18/50/1026951850.db2.gz UEGIAWYTJZIMOT-IEBWSBKVSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090398 1026951854 /nfs/dbraw/zinc/95/18/54/1026951854.db2.gz UEGIAWYTJZIMOT-IEBWSBKVSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103099648 1026962779 /nfs/dbraw/zinc/96/27/79/1026962779.db2.gz QOXNUYSZERDLHU-AQNXPRMDSA-N 2 1 361.574 2.985 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103099648 1026962784 /nfs/dbraw/zinc/96/27/84/1026962784.db2.gz QOXNUYSZERDLHU-AQNXPRMDSA-N 2 1 361.574 2.985 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103099648 1026962789 /nfs/dbraw/zinc/96/27/89/1026962789.db2.gz QOXNUYSZERDLHU-AQNXPRMDSA-N 2 1 361.574 2.985 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103099648 1026962794 /nfs/dbraw/zinc/96/27/94/1026962794.db2.gz QOXNUYSZERDLHU-AQNXPRMDSA-N 2 1 361.574 2.985 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103156620 1027011017 /nfs/dbraw/zinc/01/10/17/1027011017.db2.gz OCYNAROZXPBZAI-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103156620 1027011023 /nfs/dbraw/zinc/01/10/23/1027011023.db2.gz OCYNAROZXPBZAI-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103156620 1027011031 /nfs/dbraw/zinc/01/10/31/1027011031.db2.gz OCYNAROZXPBZAI-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103375955 1027342723 /nfs/dbraw/zinc/34/27/23/1027342723.db2.gz DWYAEKUCLUISPR-KBRIMQKVSA-N 2 1 364.921 2.581 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103375955 1027342737 /nfs/dbraw/zinc/34/27/37/1027342737.db2.gz DWYAEKUCLUISPR-KBRIMQKVSA-N 2 1 364.921 2.581 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001160295870 1027662271 /nfs/dbraw/zinc/66/22/71/1027662271.db2.gz TWVMVISPBZTGCQ-LEWJYISDSA-N 2 1 357.473 2.701 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001160295870 1027662279 /nfs/dbraw/zinc/66/22/79/1027662279.db2.gz TWVMVISPBZTGCQ-LEWJYISDSA-N 2 1 357.473 2.701 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103630525 1027826870 /nfs/dbraw/zinc/82/68/70/1027826870.db2.gz UXWMWDCNJADYJK-DNVCBOLYSA-N 2 1 367.965 2.935 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001103634565 1027836267 /nfs/dbraw/zinc/83/62/67/1027836267.db2.gz XWRBNZASWDUZSM-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634565 1027836283 /nfs/dbraw/zinc/83/62/83/1027836283.db2.gz XWRBNZASWDUZSM-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634565 1027836303 /nfs/dbraw/zinc/83/63/03/1027836303.db2.gz XWRBNZASWDUZSM-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153419393 1027871112 /nfs/dbraw/zinc/87/11/12/1027871112.db2.gz PPAKDCWWPBXEPX-RLLQIKCJSA-N 2 1 365.562 2.526 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001153500997 1027908917 /nfs/dbraw/zinc/90/89/17/1027908917.db2.gz BLLRZIAMZUNURQ-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001153500997 1027908931 /nfs/dbraw/zinc/90/89/31/1027908931.db2.gz BLLRZIAMZUNURQ-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001153500997 1027908948 /nfs/dbraw/zinc/90/89/48/1027908948.db2.gz BLLRZIAMZUNURQ-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001103751499 1028136253 /nfs/dbraw/zinc/13/62/53/1028136253.db2.gz CCTQNKRIQZEWTK-WIYYLYMNSA-N 2 1 359.558 2.596 20 30 FFEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283355 1028489628 /nfs/dbraw/zinc/48/96/28/1028489628.db2.gz YDYOZKXGNXMRCV-IPMKNSEASA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@H]3CCC[N@H+]3C)[nH]n1)C2 ZINC001112360838 1030656313 /nfs/dbraw/zinc/65/63/13/1030656313.db2.gz NOXQQLNMTAOOOG-SCWSEQNSSA-N 2 1 371.529 2.584 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@H]3CCC[N@@H+]3C)[nH]n1)C2 ZINC001112360838 1030656317 /nfs/dbraw/zinc/65/63/17/1030656317.db2.gz NOXQQLNMTAOOOG-SCWSEQNSSA-N 2 1 371.529 2.584 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397096 1030741771 /nfs/dbraw/zinc/74/17/71/1030741771.db2.gz RVBQXVFROYHWBO-BJLQDIEVSA-N 2 1 367.965 2.935 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001205415428 1031727566 /nfs/dbraw/zinc/72/75/66/1031727566.db2.gz UQVWFQMUCCHPJN-VQTJNVASSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037731 1033483935 /nfs/dbraw/zinc/48/39/35/1033483935.db2.gz ZXDDKBAPNVTPOM-HSALFYBXSA-N 2 1 363.546 2.519 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC001220868106 1034435523 /nfs/dbraw/zinc/43/55/23/1034435523.db2.gz BHMCQZYWPDTEGH-IRXDYDNUSA-N 2 1 357.523 2.928 20 30 FFEDMP C=C(C)COc1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001138665234 1034524358 /nfs/dbraw/zinc/52/43/58/1034524358.db2.gz JHQRAXMDOQDJCS-UHFFFAOYSA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001226843965 1034859639 /nfs/dbraw/zinc/85/96/39/1034859639.db2.gz XLLATNVYFMABMY-AZUAARDMSA-N 2 1 370.541 2.704 20 30 FFEDMP C#Cc1cccc(C[N@@H+]2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)c1 ZINC001235321066 1037474523 /nfs/dbraw/zinc/47/45/23/1037474523.db2.gz OUUYCKZFAJLZLM-NZQKXSOJSA-N 2 1 366.505 2.813 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208427576 1038306470 /nfs/dbraw/zinc/30/64/70/1038306470.db2.gz CYDJBFKAPDJDRT-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208427576 1038306482 /nfs/dbraw/zinc/30/64/82/1038306482.db2.gz CYDJBFKAPDJDRT-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208739745 1038503259 /nfs/dbraw/zinc/50/32/59/1038503259.db2.gz XRARNKQDOQMPIU-VAMGGRTRSA-N 2 1 367.578 2.894 20 30 FFEDMP C#CCCN1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528680 1038545974 /nfs/dbraw/zinc/54/59/74/1038545974.db2.gz JMONPJFOWWGIMI-JBACZVJFSA-N 2 1 353.510 2.643 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246302154 1039305931 /nfs/dbraw/zinc/30/59/31/1039305931.db2.gz ASKYINVPGQHPEZ-YJBOKZPZSA-N 2 1 352.425 2.639 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700237 1039442422 /nfs/dbraw/zinc/44/24/22/1039442422.db2.gz ITLQKPMZJXXCSP-KHHDVDEJSA-N 2 1 353.510 2.631 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700237 1039442432 /nfs/dbraw/zinc/44/24/32/1039442432.db2.gz ITLQKPMZJXXCSP-KHHDVDEJSA-N 2 1 353.510 2.631 20 30 FFEDMP CCC[NH+]1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001258774445 1039510674 /nfs/dbraw/zinc/51/06/74/1039510674.db2.gz OEWYWEGNRHLFIW-QFIPXVFZSA-N 2 1 366.509 2.861 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001279605214 1043330830 /nfs/dbraw/zinc/33/08/30/1043330830.db2.gz ZAABTGDFYOTMCQ-JOCHJYFZSA-N 2 1 357.542 2.970 20 30 FFEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339827 /nfs/dbraw/zinc/33/98/27/1043339827.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 1 369.900 2.899 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339836 /nfs/dbraw/zinc/33/98/36/1043339836.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 1 369.900 2.899 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339845 /nfs/dbraw/zinc/33/98/45/1043339845.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 1 369.900 2.899 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001278176672 1043510599 /nfs/dbraw/zinc/51/05/99/1043510599.db2.gz ZQIATVQRIJBTRM-UHFFFAOYSA-N 2 1 357.498 2.509 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001278176672 1043510608 /nfs/dbraw/zinc/51/06/08/1043510608.db2.gz ZQIATVQRIJBTRM-UHFFFAOYSA-N 2 1 357.498 2.509 20 30 FFEDMP C=CCCCC[N@H+]1CCc2c([nH]nc2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001279720290 1043525111 /nfs/dbraw/zinc/52/51/11/1043525111.db2.gz SWGLUCPUJZZXNQ-UHFFFAOYSA-N 2 1 361.534 2.538 20 30 FFEDMP C=CCCCC[N@@H+]1CCc2c([nH]nc2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001279720290 1043525118 /nfs/dbraw/zinc/52/51/18/1043525118.db2.gz SWGLUCPUJZZXNQ-UHFFFAOYSA-N 2 1 361.534 2.538 20 30 FFEDMP C=CCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279828995 1043732228 /nfs/dbraw/zinc/73/22/28/1043732228.db2.gz GBXGTMMUHHNNPB-FXAWDEMLSA-N 2 1 359.518 2.594 20 30 FFEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCC#N)cc1 ZINC001280181059 1044362070 /nfs/dbraw/zinc/36/20/70/1044362070.db2.gz DHUHHYFWCAIFJA-SFTDATJTSA-N 2 1 356.514 2.579 20 30 FFEDMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582793 1070939992 /nfs/dbraw/zinc/93/99/92/1070939992.db2.gz XQHNWRPVWPWLQK-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582793 1070940000 /nfs/dbraw/zinc/94/00/00/1070940000.db2.gz XQHNWRPVWPWLQK-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001331912571 1048168773 /nfs/dbraw/zinc/16/87/73/1048168773.db2.gz XIJSPIYTPPXOQX-UHFFFAOYSA-N 2 1 355.486 2.995 20 30 FFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001340263778 1050668593 /nfs/dbraw/zinc/66/85/93/1050668593.db2.gz ISPCSROMHPRLAQ-BZSNNMDCSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c(CN2CCCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001340589664 1050974074 /nfs/dbraw/zinc/97/40/74/1050974074.db2.gz ZNQMQHBUFXRTLD-PKOBYXMFSA-N 2 1 370.545 2.513 20 30 FFEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849054060 1055602539 /nfs/dbraw/zinc/60/25/39/1055602539.db2.gz ZZTSKRMQFIQOOV-OAQYLSRUSA-N 2 1 366.509 2.595 20 30 FFEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849054060 1055602541 /nfs/dbraw/zinc/60/25/41/1055602541.db2.gz ZZTSKRMQFIQOOV-OAQYLSRUSA-N 2 1 366.509 2.595 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479624526 1062636455 /nfs/dbraw/zinc/63/64/55/1062636455.db2.gz PUEVGHJHJPLJNJ-NJDAHSKKSA-N 2 1 355.526 2.570 20 30 FFEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001493835517 1063232914 /nfs/dbraw/zinc/23/29/14/1063232914.db2.gz CGUDWOFNMNNTQN-UIFIKXQLSA-N 2 1 355.526 2.735 20 30 FFEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001575050760 1078101187 /nfs/dbraw/zinc/10/11/87/1078101187.db2.gz FEDGOTQBKGWGPF-HNNXBMFYSA-N 2 1 358.511 2.562 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)C(C)C ZINC001563454053 1076555439 /nfs/dbraw/zinc/55/54/39/1076555439.db2.gz XRCWRCBYRJXWBR-RTBURBONSA-N 2 1 350.551 2.667 20 30 FFEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001567653926 1077041946 /nfs/dbraw/zinc/04/19/46/1077041946.db2.gz GKZLOVQNSJNSQF-DUXKGJEZSA-N 2 1 355.526 2.920 20 30 FFEDMP Cn1cc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)cc1C#N ZINC000276802584 256132131 /nfs/dbraw/zinc/13/21/31/256132131.db2.gz WBSDUBFZYODZOT-QGZVFWFLSA-N 2 1 355.511 2.840 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000106328465 508399228 /nfs/dbraw/zinc/39/92/28/508399228.db2.gz KTPUFXXTWNYFCB-LJQANCHMSA-N 2 1 374.529 2.638 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000152991143 508538266 /nfs/dbraw/zinc/53/82/66/508538266.db2.gz QHDVRSOYEJNHMQ-HNNXBMFYSA-N 2 1 351.516 2.749 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000124887830 508900252 /nfs/dbraw/zinc/90/02/52/508900252.db2.gz VPLLXTDBHLJPKL-KRWDZBQOSA-N 2 1 362.905 2.700 20 30 FFEDMP CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264066356 509313957 /nfs/dbraw/zinc/31/39/57/509313957.db2.gz BJCSNBVOMPZLOE-CRAIPNDOSA-N 2 1 359.518 2.560 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000190008427 509882266 /nfs/dbraw/zinc/88/22/66/509882266.db2.gz OITMZGQKRZWFFQ-YLJYHZDGSA-N 2 1 372.513 2.613 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000171721343 510330609 /nfs/dbraw/zinc/33/06/09/510330609.db2.gz GETXQNKCXUBBTR-QZTJIDSGSA-N 2 1 371.525 2.676 20 30 FFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278546893 510998827 /nfs/dbraw/zinc/99/88/27/510998827.db2.gz AZFXZAMWIFTLSJ-MRXNPFEDSA-N 2 1 363.469 2.790 20 30 FFEDMP C[N@H+]1CCC[C@H]2CN(Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487140 511100764 /nfs/dbraw/zinc/10/07/64/511100764.db2.gz XQHHSFVTSNQDMX-AZUAARDMSA-N 2 1 364.497 2.775 20 30 FFEDMP Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000272892104 511510587 /nfs/dbraw/zinc/51/05/87/511510587.db2.gz IWXJFXVEZSRMGU-FQEVSTJZSA-N 2 1 352.482 2.797 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C#Cc1ccccc1 ZINC000364223390 512029220 /nfs/dbraw/zinc/02/92/20/512029220.db2.gz SRBAFVBWFYNZQY-UHFFFAOYSA-N 2 1 367.537 2.693 20 30 FFEDMP C[C@H](NC(=O)NCc1cn2c(n1)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329717664 512090051 /nfs/dbraw/zinc/09/00/51/512090051.db2.gz XVLZZOKMIYOTGP-JKSUJKDBSA-N 2 1 359.518 2.876 20 30 FFEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000329826557 512102094 /nfs/dbraw/zinc/10/20/94/512102094.db2.gz CJRHOEHDCLSRJD-IAGOWNOFSA-N 2 1 372.513 2.925 20 30 FFEDMP C=C(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000411552650 512685604 /nfs/dbraw/zinc/68/56/04/512685604.db2.gz PSCYJJZGYDFWJL-IBGZPJMESA-N 2 1 351.441 2.772 20 30 FFEDMP Cc1ccnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000374585962 512904364 /nfs/dbraw/zinc/90/43/64/512904364.db2.gz LTACTNBYKSPARM-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000518530092 516694896 /nfs/dbraw/zinc/69/48/96/516694896.db2.gz NISYPEHLMXPITJ-CALCHBBNSA-N 2 1 350.551 2.693 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000536932971 516986321 /nfs/dbraw/zinc/98/63/21/516986321.db2.gz DNVOKUDRAXPNFU-HDICACEKSA-N 2 1 357.498 2.648 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000536932971 516986330 /nfs/dbraw/zinc/98/63/30/516986330.db2.gz DNVOKUDRAXPNFU-HDICACEKSA-N 2 1 357.498 2.648 20 30 FFEDMP C=CCN(CC(F)(F)F)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000564098660 518306612 /nfs/dbraw/zinc/30/66/12/518306612.db2.gz VZBWCCXBIDHOBI-UHFFFAOYSA-N 2 1 361.452 2.760 20 30 FFEDMP N#CC1(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000578009621 519370154 /nfs/dbraw/zinc/37/01/54/519370154.db2.gz AGWCRNIGUSGGJY-UHFFFAOYSA-N 2 1 366.509 2.537 20 30 FFEDMP N#Cc1cnn2cc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cnc12 ZINC000592497986 520420741 /nfs/dbraw/zinc/42/07/41/520420741.db2.gz QSMVSILHQNPNJX-UHFFFAOYSA-N 2 1 352.486 2.689 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000592526099 520439972 /nfs/dbraw/zinc/43/99/72/520439972.db2.gz FDSPUZLVWSFTGR-UHFFFAOYSA-N 2 1 362.562 2.934 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000599287483 521129388 /nfs/dbraw/zinc/12/93/88/521129388.db2.gz VCXZFCVQMRENKJ-UHFFFAOYSA-N 2 1 368.525 2.633 20 30 FFEDMP C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599327042 521153774 /nfs/dbraw/zinc/15/37/74/521153774.db2.gz FRKIGZDOLZFLMK-NRFANRHFSA-N 2 1 371.525 2.654 20 30 FFEDMP C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599327042 521153784 /nfs/dbraw/zinc/15/37/84/521153784.db2.gz FRKIGZDOLZFLMK-NRFANRHFSA-N 2 1 371.525 2.654 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000597021798 521452447 /nfs/dbraw/zinc/45/24/47/521452447.db2.gz SCMJPOAPMOGJSD-RXVVDRJESA-N 2 1 352.526 2.700 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC(F)(F)F)cc1 ZINC000303873211 729734879 /nfs/dbraw/zinc/73/48/79/729734879.db2.gz CIFLNWJOWBQXLE-CQSZACIVSA-N 2 1 358.408 2.516 20 30 FFEDMP C[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCC(OC(C)(C)C)CC1 ZINC000159565092 845687323 /nfs/dbraw/zinc/68/73/23/845687323.db2.gz BJVMVVZTODESBZ-QGZVFWFLSA-N 2 1 352.567 2.962 20 30 FFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896633 971116588 /nfs/dbraw/zinc/11/65/88/971116588.db2.gz IMAVHKXAPTWXNG-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001112472591 959072688 /nfs/dbraw/zinc/07/26/88/959072688.db2.gz BIMWYUDIYGEUGZ-AVRDEDQJSA-N 2 1 370.541 2.946 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001112472869 959096968 /nfs/dbraw/zinc/09/69/68/959096968.db2.gz LPKQLDKNKIVAJF-UWJYYQICSA-N 2 1 356.514 2.556 20 30 FFEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261661316 963178667 /nfs/dbraw/zinc/17/86/67/963178667.db2.gz AUHJIPIOQHJSMD-HKUYNNGSSA-N 3 1 360.550 2.606 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000960644550 1013439442 /nfs/dbraw/zinc/43/94/42/1013439442.db2.gz OZQIOIJUOSTZPJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000960644550 1013439451 /nfs/dbraw/zinc/43/94/51/1013439451.db2.gz OZQIOIJUOSTZPJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000960644550 1013439457 /nfs/dbraw/zinc/43/94/57/1013439457.db2.gz OZQIOIJUOSTZPJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261937517 964673740 /nfs/dbraw/zinc/67/37/40/964673740.db2.gz CTQSHSNTLYTNDK-NQIIRXRSSA-N 2 1 374.529 2.803 20 30 FFEDMP CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001087467611 965118880 /nfs/dbraw/zinc/11/88/80/965118880.db2.gz GCYVECFOBVBDMZ-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087467611 965118887 /nfs/dbraw/zinc/11/88/87/965118887.db2.gz GCYVECFOBVBDMZ-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087467611 965118893 /nfs/dbraw/zinc/11/88/93/965118893.db2.gz GCYVECFOBVBDMZ-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087467611 965118900 /nfs/dbraw/zinc/11/89/00/965118900.db2.gz GCYVECFOBVBDMZ-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001087469322 965292842 /nfs/dbraw/zinc/29/28/42/965292842.db2.gz WIRKDWNGLMOOHA-UYAOXDASSA-N 2 1 370.472 2.950 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001023372173 967754541 /nfs/dbraw/zinc/75/45/41/967754541.db2.gz PIAOXARNXFLUTN-FDFHNCONSA-N 2 1 367.537 2.597 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211615665 968025850 /nfs/dbraw/zinc/02/58/50/968025850.db2.gz AMPDGSWFAJBGAV-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262457641 968174386 /nfs/dbraw/zinc/17/43/86/968174386.db2.gz XAJBGNAAYLMKNE-IYWMVGAKSA-N 2 1 370.541 2.630 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262457641 968174397 /nfs/dbraw/zinc/17/43/97/968174397.db2.gz XAJBGNAAYLMKNE-IYWMVGAKSA-N 2 1 370.541 2.630 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087725473 968764753 /nfs/dbraw/zinc/76/47/53/968764753.db2.gz QAMDFPPAMAJPSL-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001087725473 968764763 /nfs/dbraw/zinc/76/47/63/968764763.db2.gz QAMDFPPAMAJPSL-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087725473 968764773 /nfs/dbraw/zinc/76/47/73/968764773.db2.gz QAMDFPPAMAJPSL-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087725473 968764781 /nfs/dbraw/zinc/76/47/81/968764781.db2.gz QAMDFPPAMAJPSL-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001024448645 968926225 /nfs/dbraw/zinc/92/62/25/968926225.db2.gz UFUMACVFFTWMOH-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001111950882 969420684 /nfs/dbraw/zinc/42/06/84/969420684.db2.gz GUEGWGSXERAJHS-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001111950882 969420691 /nfs/dbraw/zinc/42/06/91/969420691.db2.gz GUEGWGSXERAJHS-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001111950882 969420694 /nfs/dbraw/zinc/42/06/94/969420694.db2.gz GUEGWGSXERAJHS-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4n3)C[C@@H]2C1 ZINC001088141040 973064549 /nfs/dbraw/zinc/06/45/49/973064549.db2.gz SBFVGPDZRNDABQ-MOPGFXCFSA-N 2 1 366.509 2.932 20 30 FFEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028152095 976938485 /nfs/dbraw/zinc/93/84/85/976938485.db2.gz MOXGVLUKKZDKEB-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152095 976938491 /nfs/dbraw/zinc/93/84/91/976938491.db2.gz MOXGVLUKKZDKEB-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152095 976938499 /nfs/dbraw/zinc/93/84/99/976938499.db2.gz MOXGVLUKKZDKEB-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(F)ccc3C#N)[C@@H]2C)CC[N@H+]1C ZINC001088578988 981292703 /nfs/dbraw/zinc/29/27/03/981292703.db2.gz HRLDSFLUJJCNQF-QRKUABHPSA-N 2 1 372.488 2.507 20 30 FFEDMP C[NH+]=C(NCCOc1ccc(F)c(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086535606 982899994 /nfs/dbraw/zinc/89/99/94/982899994.db2.gz BCFFLGCYYQYWOP-GOOCMWNKSA-N 2 1 366.456 2.524 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3ccnc3)CCC[C@@H]12 ZINC001107561080 984699904 /nfs/dbraw/zinc/69/99/04/984699904.db2.gz CRIYTZIXFWMNIF-LZLYRXPVSA-N 2 1 350.894 2.948 20 30 FFEDMP C=C(Cl)CN1CC[C@@]2(CNC(=O)C[C@H](C)n3ccnc3)CCC[C@@H]12 ZINC001107561080 984699908 /nfs/dbraw/zinc/69/99/08/984699908.db2.gz CRIYTZIXFWMNIF-LZLYRXPVSA-N 2 1 350.894 2.948 20 30 FFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666809 988609882 /nfs/dbraw/zinc/60/98/82/988609882.db2.gz WKUHRZYMXAZUHN-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727920 988776415 /nfs/dbraw/zinc/77/64/15/988776415.db2.gz ZVTFYUNBLIWBKZ-GDBMZVCRSA-N 2 1 352.910 2.833 20 30 FFEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001485261737 991883274 /nfs/dbraw/zinc/88/32/74/991883274.db2.gz OCWDIXJYAGYXBZ-UXHICEINSA-N 2 1 357.542 2.982 20 30 FFEDMP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080552711 993158693 /nfs/dbraw/zinc/15/86/93/993158693.db2.gz GYWHQTCNFIMUIX-DBXWQHBBSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081133839 993691810 /nfs/dbraw/zinc/69/18/10/993691810.db2.gz HXOWNVUWSITDSR-OTWHNJEPSA-N 2 1 361.917 2.807 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCCCC3)C[C@H]21 ZINC001084417801 996517642 /nfs/dbraw/zinc/51/76/42/996517642.db2.gz GCWIRGKXWDUQKS-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCCCC3)C[C@H]21 ZINC001084417801 996517648 /nfs/dbraw/zinc/51/76/48/996517648.db2.gz GCWIRGKXWDUQKS-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001084417801 996517654 /nfs/dbraw/zinc/51/76/54/996517654.db2.gz GCWIRGKXWDUQKS-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001084417801 996517660 /nfs/dbraw/zinc/51/76/60/996517660.db2.gz GCWIRGKXWDUQKS-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662971 996792553 /nfs/dbraw/zinc/79/25/53/996792553.db2.gz GBNUBCWNSCZCNL-HLIPFELVSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662971 996792559 /nfs/dbraw/zinc/79/25/59/996792559.db2.gz GBNUBCWNSCZCNL-HLIPFELVSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662971 996792568 /nfs/dbraw/zinc/79/25/68/996792568.db2.gz GBNUBCWNSCZCNL-HLIPFELVSA-N 2 1 351.510 2.698 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC001085230051 999215679 /nfs/dbraw/zinc/21/56/79/999215679.db2.gz YOLVADOWKHVRKH-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC001085230051 999215687 /nfs/dbraw/zinc/21/56/87/999215687.db2.gz YOLVADOWKHVRKH-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139061 1000025301 /nfs/dbraw/zinc/02/53/01/1000025301.db2.gz LYYFUQHSXCGKTJ-TWWGPRNNSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139061 1000025302 /nfs/dbraw/zinc/02/53/02/1000025302.db2.gz LYYFUQHSXCGKTJ-TWWGPRNNSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139061 1000025303 /nfs/dbraw/zinc/02/53/03/1000025303.db2.gz LYYFUQHSXCGKTJ-TWWGPRNNSA-N 2 1 364.493 2.612 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737763 1001184357 /nfs/dbraw/zinc/18/43/57/1001184357.db2.gz JDIVIPDJKWNYFO-POAQFYNOSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737763 1001184361 /nfs/dbraw/zinc/18/43/61/1001184361.db2.gz JDIVIPDJKWNYFO-POAQFYNOSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737763 1001184364 /nfs/dbraw/zinc/18/43/64/1001184364.db2.gz JDIVIPDJKWNYFO-POAQFYNOSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737763 1001184370 /nfs/dbraw/zinc/18/43/70/1001184370.db2.gz JDIVIPDJKWNYFO-POAQFYNOSA-N 2 1 365.949 2.926 20 30 FFEDMP C=CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184401237 1002590760 /nfs/dbraw/zinc/59/07/60/1002590760.db2.gz IBUCNNKXIQSPRZ-SFHVURJKSA-N 2 1 361.917 2.882 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001086596200 1002619754 /nfs/dbraw/zinc/61/97/54/1002619754.db2.gz PVFJIUULPGOJKA-BBTUJRGHSA-N 2 1 364.493 2.593 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001086596200 1002619761 /nfs/dbraw/zinc/61/97/61/1002619761.db2.gz PVFJIUULPGOJKA-BBTUJRGHSA-N 2 1 364.493 2.593 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001092604928 1003215153 /nfs/dbraw/zinc/21/51/53/1003215153.db2.gz QWENPFOTNVWMDC-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092604928 1003215162 /nfs/dbraw/zinc/21/51/62/1003215162.db2.gz QWENPFOTNVWMDC-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092604928 1003215166 /nfs/dbraw/zinc/21/51/66/1003215166.db2.gz QWENPFOTNVWMDC-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092658423 1003362923 /nfs/dbraw/zinc/36/29/23/1003362923.db2.gz UOXRXUIIJPSPRJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092658423 1003362934 /nfs/dbraw/zinc/36/29/34/1003362934.db2.gz UOXRXUIIJPSPRJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092658423 1003362945 /nfs/dbraw/zinc/36/29/45/1003362945.db2.gz UOXRXUIIJPSPRJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001092688804 1003491519 /nfs/dbraw/zinc/49/15/19/1003491519.db2.gz ATFOIGASCKGQHU-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001092688804 1003491522 /nfs/dbraw/zinc/49/15/22/1003491522.db2.gz ATFOIGASCKGQHU-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001092688804 1003491526 /nfs/dbraw/zinc/49/15/26/1003491526.db2.gz ATFOIGASCKGQHU-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001092688804 1003491530 /nfs/dbraw/zinc/49/15/30/1003491530.db2.gz ATFOIGASCKGQHU-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854263 1003672309 /nfs/dbraw/zinc/67/23/09/1003672309.db2.gz DJXIZFQAKASDFZ-CRAIPNDOSA-N 2 1 363.933 2.841 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001197657451 1004304889 /nfs/dbraw/zinc/30/48/89/1004304889.db2.gz HYYXZSJCDXCVPP-VAMGGRTRSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197657451 1004304893 /nfs/dbraw/zinc/30/48/93/1004304893.db2.gz HYYXZSJCDXCVPP-VAMGGRTRSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001197657451 1004304899 /nfs/dbraw/zinc/30/48/99/1004304899.db2.gz HYYXZSJCDXCVPP-VAMGGRTRSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997089 1004867281 /nfs/dbraw/zinc/86/72/81/1004867281.db2.gz LRDIOCSCRSWFSV-WOJBJXKFSA-N 2 1 367.578 2.773 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001489093158 1005418766 /nfs/dbraw/zinc/41/87/66/1005418766.db2.gz MBHJOBRKAFYZQN-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001489093158 1005418767 /nfs/dbraw/zinc/41/87/67/1005418767.db2.gz MBHJOBRKAFYZQN-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001489093158 1005418770 /nfs/dbraw/zinc/41/87/70/1005418770.db2.gz MBHJOBRKAFYZQN-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086721074 1006278207 /nfs/dbraw/zinc/27/82/07/1006278207.db2.gz DRUXJNBFQHSEBY-HBMCJLEFSA-N 2 1 357.542 2.849 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086721074 1006278217 /nfs/dbraw/zinc/27/82/17/1006278217.db2.gz DRUXJNBFQHSEBY-HBMCJLEFSA-N 2 1 357.542 2.849 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001189135937 1006921012 /nfs/dbraw/zinc/92/10/12/1006921012.db2.gz SQSDXFQXIJWGCK-LEWJYISDSA-N 2 1 355.526 2.903 20 30 FFEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000817285133 1007508000 /nfs/dbraw/zinc/50/80/00/1007508000.db2.gz GALZNVPXNFIRID-UHFFFAOYSA-N 2 1 370.541 2.819 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000818606411 1007966958 /nfs/dbraw/zinc/96/69/58/1007966958.db2.gz SKMNYOQMKSXPIL-LJQANCHMSA-N 2 1 371.525 2.625 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000103337607 1009814436 /nfs/dbraw/zinc/81/44/36/1009814436.db2.gz QLRRGTPKCWHGNX-GOSISDBHSA-N 2 1 356.470 2.790 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497698 1011160017 /nfs/dbraw/zinc/16/00/17/1011160017.db2.gz IEQGGRRGFOMDBB-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497698 1011160020 /nfs/dbraw/zinc/16/00/20/1011160020.db2.gz IEQGGRRGFOMDBB-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC(C)C2)CC3)CC1 ZINC001094582787 1011266468 /nfs/dbraw/zinc/26/64/68/1011266468.db2.gz XMHFCGVWNAVISP-LDJWSDFVSA-N 2 1 371.569 2.739 20 30 FFEDMP C[C@@H]1CC2(C[NH+]1CC#CC[N@@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646095827 1011739975 /nfs/dbraw/zinc/73/99/75/1011739975.db2.gz ASDSXJSXHUMTCD-BGYRXZFFSA-N 2 1 360.542 2.772 20 30 FFEDMP C[C@@H]1CC2(C[N@H+]1CC#CC[NH+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646095827 1011739988 /nfs/dbraw/zinc/73/99/88/1011739988.db2.gz ASDSXJSXHUMTCD-BGYRXZFFSA-N 2 1 360.542 2.772 20 30 FFEDMP C[C@@H]1CC2(C[N@@H+]1CC#CC[NH+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646095827 1011740007 /nfs/dbraw/zinc/74/00/07/1011740007.db2.gz ASDSXJSXHUMTCD-BGYRXZFFSA-N 2 1 360.542 2.772 20 30 FFEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(CC3CC3)CC2)C[C@H]1C#N ZINC001172975264 1012144918 /nfs/dbraw/zinc/14/49/18/1012144918.db2.gz YCQDMYJXNMODOU-SJORKVTESA-N 2 1 362.518 2.871 20 30 FFEDMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000303769814 1012425807 /nfs/dbraw/zinc/42/58/07/1012425807.db2.gz BELUSVWQKZBNNG-UHFFFAOYSA-N 2 1 364.493 2.934 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](C1CCC(CC#N)CC1)CCC2 ZINC001173333277 1012445460 /nfs/dbraw/zinc/44/54/60/1012445460.db2.gz MYKQJFMBTFDURW-UHFFFAOYSA-N 2 1 371.529 2.762 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C1CCC(CC#N)CC1)CCC2 ZINC001173333277 1012445468 /nfs/dbraw/zinc/44/54/68/1012445468.db2.gz MYKQJFMBTFDURW-UHFFFAOYSA-N 2 1 371.529 2.762 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(CC#N)CC1)CCC2 ZINC001173333277 1012445473 /nfs/dbraw/zinc/44/54/73/1012445473.db2.gz MYKQJFMBTFDURW-UHFFFAOYSA-N 2 1 371.529 2.762 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000252648837 1012592238 /nfs/dbraw/zinc/59/22/38/1012592238.db2.gz NJOIQDANEJCGSJ-ROUUACIJSA-N 2 1 358.505 2.750 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001222043847 1032695777 /nfs/dbraw/zinc/69/57/77/1032695777.db2.gz FCRZJCLVYXQHLC-DZEXYBDGSA-N 2 1 357.542 2.611 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](CC)CC ZINC001111012743 1020493326 /nfs/dbraw/zinc/49/33/26/1020493326.db2.gz VCPZRLYISQEVPI-NCYKPQTJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001098461681 1020928503 /nfs/dbraw/zinc/92/85/03/1020928503.db2.gz LAVANZQENKLENO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001098461681 1020928511 /nfs/dbraw/zinc/92/85/11/1020928511.db2.gz LAVANZQENKLENO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001098461681 1020928514 /nfs/dbraw/zinc/92/85/14/1020928514.db2.gz LAVANZQENKLENO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001098461681 1020928519 /nfs/dbraw/zinc/92/85/19/1020928519.db2.gz LAVANZQENKLENO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)cc1 ZINC001111458992 1021084877 /nfs/dbraw/zinc/08/48/77/1021084877.db2.gz MDTVWMAXPFUNIE-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029728 1021631726 /nfs/dbraw/zinc/63/17/26/1021631726.db2.gz KLQMSFANHUVSDQ-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029728 1021631731 /nfs/dbraw/zinc/63/17/31/1021631731.db2.gz KLQMSFANHUVSDQ-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796845 1023375216 /nfs/dbraw/zinc/37/52/16/1023375216.db2.gz SBICHTLHIBHKHR-BDTNDASRSA-N 2 1 367.537 2.668 20 30 FFEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796845 1023375225 /nfs/dbraw/zinc/37/52/25/1023375225.db2.gz SBICHTLHIBHKHR-BDTNDASRSA-N 2 1 367.537 2.668 20 30 FFEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796845 1023375234 /nfs/dbraw/zinc/37/52/34/1023375234.db2.gz SBICHTLHIBHKHR-BDTNDASRSA-N 2 1 367.537 2.668 20 30 FFEDMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001121716306 1023942788 /nfs/dbraw/zinc/94/27/88/1023942788.db2.gz GRCLQMHWDOTVMG-UHFFFAOYSA-N 2 1 372.561 2.905 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223023403 1033247165 /nfs/dbraw/zinc/24/71/65/1033247165.db2.gz JGBYSOYLWBBQBN-UXHICEINSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223023403 1033247176 /nfs/dbraw/zinc/24/71/76/1033247176.db2.gz JGBYSOYLWBBQBN-UXHICEINSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223023403 1033247188 /nfs/dbraw/zinc/24/71/88/1033247188.db2.gz JGBYSOYLWBBQBN-UXHICEINSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000195466324 1025022408 /nfs/dbraw/zinc/02/24/08/1025022408.db2.gz WHDWOUQGIQQYCC-WOJBJXKFSA-N 2 1 370.541 2.818 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645389 1033261528 /nfs/dbraw/zinc/26/15/28/1033261528.db2.gz GDWVDLPPGBMDNH-RBUKOAKNSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645389 1033261538 /nfs/dbraw/zinc/26/15/38/1033261538.db2.gz GDWVDLPPGBMDNH-RBUKOAKNSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645389 1033261552 /nfs/dbraw/zinc/26/15/52/1033261552.db2.gz GDWVDLPPGBMDNH-RBUKOAKNSA-N 2 1 365.562 2.600 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001223095800 1033285959 /nfs/dbraw/zinc/28/59/59/1033285959.db2.gz UQRBXPIWLSTQDC-XLIONFOSSA-N 2 1 365.481 2.770 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001102596387 1026390241 /nfs/dbraw/zinc/39/02/41/1026390241.db2.gz CQCHZHXWROQJGB-WKQNUPFUSA-N 2 1 359.558 2.762 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000838623959 1026443963 /nfs/dbraw/zinc/44/39/63/1026443963.db2.gz ZFEFGRCHFWOMQO-FPOVZHCZSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000838623959 1026443967 /nfs/dbraw/zinc/44/39/67/1026443967.db2.gz ZFEFGRCHFWOMQO-FPOVZHCZSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000838623959 1026443976 /nfs/dbraw/zinc/44/39/76/1026443976.db2.gz ZFEFGRCHFWOMQO-FPOVZHCZSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001103099780 1026961891 /nfs/dbraw/zinc/96/18/91/1026961891.db2.gz YZUBZGVMYIEJEP-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001103099780 1026961896 /nfs/dbraw/zinc/96/18/96/1026961896.db2.gz YZUBZGVMYIEJEP-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1C ZINC001103099780 1026961900 /nfs/dbraw/zinc/96/19/00/1026961900.db2.gz YZUBZGVMYIEJEP-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1C ZINC001103099780 1026961903 /nfs/dbraw/zinc/96/19/03/1026961903.db2.gz YZUBZGVMYIEJEP-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162535 1027017495 /nfs/dbraw/zinc/01/74/95/1027017495.db2.gz ASSIBBJJOBLCML-RTBURBONSA-N 2 1 358.530 2.948 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162516 1027018401 /nfs/dbraw/zinc/01/84/01/1027018401.db2.gz AIFHOMAQTNFFPF-NVXWUHKLSA-N 2 1 364.921 2.735 20 30 FFEDMP CN1CC[NH+](Cc2cccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)c2)CC1 ZINC001159661791 1027462102 /nfs/dbraw/zinc/46/21/02/1027462102.db2.gz GGUPMIDPOHVHGM-UHFFFAOYSA-N 2 1 361.493 2.736 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103434176 1027473412 /nfs/dbraw/zinc/47/34/12/1027473412.db2.gz SGXHPMRABDSYCN-KCZVDYSFSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001103434176 1027473430 /nfs/dbraw/zinc/47/34/30/1027473430.db2.gz SGXHPMRABDSYCN-KCZVDYSFSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001103434176 1027473439 /nfs/dbraw/zinc/47/34/39/1027473439.db2.gz SGXHPMRABDSYCN-KCZVDYSFSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103433727 1027473800 /nfs/dbraw/zinc/47/38/00/1027473800.db2.gz KEACWAKUGHSBGY-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103433727 1027473811 /nfs/dbraw/zinc/47/38/11/1027473811.db2.gz KEACWAKUGHSBGY-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103433727 1027473820 /nfs/dbraw/zinc/47/38/20/1027473820.db2.gz KEACWAKUGHSBGY-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001103444767 1027491359 /nfs/dbraw/zinc/49/13/59/1027491359.db2.gz IYASNRLIBVZGGG-RKVPGOIHSA-N 2 1 362.543 2.534 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001103751890 1028137544 /nfs/dbraw/zinc/13/75/44/1028137544.db2.gz XKXNRCMWRYZXBC-SVFBPWRDSA-N 2 1 359.558 2.761 20 30 FFEDMP N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372959 1028701460 /nfs/dbraw/zinc/70/14/60/1028701460.db2.gz LLACXSVQSFBBLS-LJQANCHMSA-N 2 1 365.456 2.619 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001112113100 1030035497 /nfs/dbraw/zinc/03/54/97/1030035497.db2.gz CZKZUYUOQRGQGB-BZUAXINKSA-N 2 1 361.452 2.519 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799126 1033344467 /nfs/dbraw/zinc/34/44/67/1033344467.db2.gz KLXYHNFFLCQCLH-VQTJNVASSA-N 2 1 367.537 2.891 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049353 1033489143 /nfs/dbraw/zinc/48/91/43/1033489143.db2.gz KGBRHQXMJQOLMO-VQTJNVASSA-N 2 1 365.562 2.744 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052303 1033491070 /nfs/dbraw/zinc/49/10/70/1033491070.db2.gz SFIIWAZARBCJLI-VQTJNVASSA-N 2 1 365.562 2.744 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764049 1035049656 /nfs/dbraw/zinc/04/96/56/1035049656.db2.gz QQGSRVRETFHPRO-VAMGGRTRSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764049 1035049667 /nfs/dbraw/zinc/04/96/67/1035049667.db2.gz QQGSRVRETFHPRO-VAMGGRTRSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764049 1035049673 /nfs/dbraw/zinc/04/96/73/1035049673.db2.gz QQGSRVRETFHPRO-VAMGGRTRSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764049 1035049682 /nfs/dbraw/zinc/04/96/82/1035049682.db2.gz QQGSRVRETFHPRO-VAMGGRTRSA-N 2 1 365.562 2.599 20 30 FFEDMP COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001231618859 1037740776 /nfs/dbraw/zinc/74/07/76/1037740776.db2.gz LXNNOGKZJMYVFY-CTNGQTDRSA-N 2 1 362.477 2.916 20 30 FFEDMP COc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001231618859 1037740792 /nfs/dbraw/zinc/74/07/92/1037740792.db2.gz LXNNOGKZJMYVFY-CTNGQTDRSA-N 2 1 362.477 2.916 20 30 FFEDMP COc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001231618859 1037740812 /nfs/dbraw/zinc/74/08/12/1037740812.db2.gz LXNNOGKZJMYVFY-CTNGQTDRSA-N 2 1 362.477 2.916 20 30 FFEDMP COc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001231618859 1037740831 /nfs/dbraw/zinc/74/08/31/1037740831.db2.gz LXNNOGKZJMYVFY-CTNGQTDRSA-N 2 1 362.477 2.916 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207966456 1037904506 /nfs/dbraw/zinc/90/45/06/1037904506.db2.gz JWBPIBZILVWJRW-GPMSIDNRSA-N 2 1 353.470 2.672 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374335 1040118800 /nfs/dbraw/zinc/11/88/00/1040118800.db2.gz DTYIUWBBWUISFK-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374335 1040118813 /nfs/dbraw/zinc/11/88/13/1040118813.db2.gz DTYIUWBBWUISFK-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213712980 1040826090 /nfs/dbraw/zinc/82/60/90/1040826090.db2.gz JMOJCGDHBQYLGU-RTBURBONSA-N 2 1 353.551 2.670 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001263884085 1042506370 /nfs/dbraw/zinc/50/63/70/1042506370.db2.gz APNVAAZZSFTXAH-SLFFLAALSA-N 2 1 361.505 2.827 20 30 FFEDMP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001539549119 1070657430 /nfs/dbraw/zinc/65/74/30/1070657430.db2.gz VBJLEFXFURAZGS-UHFFFAOYSA-N 2 1 356.514 2.570 20 30 FFEDMP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001539549119 1070657437 /nfs/dbraw/zinc/65/74/37/1070657437.db2.gz VBJLEFXFURAZGS-UHFFFAOYSA-N 2 1 356.514 2.570 20 30 FFEDMP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001539549119 1070657441 /nfs/dbraw/zinc/65/74/41/1070657441.db2.gz VBJLEFXFURAZGS-UHFFFAOYSA-N 2 1 356.514 2.570 20 30 FFEDMP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001539549119 1070657446 /nfs/dbraw/zinc/65/74/46/1070657446.db2.gz VBJLEFXFURAZGS-UHFFFAOYSA-N 2 1 356.514 2.570 20 30 FFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001331711278 1048076087 /nfs/dbraw/zinc/07/60/87/1048076087.db2.gz FKVFNONVAJRHKC-LJQANCHMSA-N 2 1 370.541 2.623 20 30 FFEDMP C=CCO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OCC=C)C3)c2)C1 ZINC001328001824 1048130947 /nfs/dbraw/zinc/13/09/47/1048130947.db2.gz RMFCWGXFKWQJGG-OYRHEFFESA-N 2 1 357.498 2.635 20 30 FFEDMP C=CCO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC=C)C3)c2)C1 ZINC001328001824 1048130951 /nfs/dbraw/zinc/13/09/51/1048130951.db2.gz RMFCWGXFKWQJGG-OYRHEFFESA-N 2 1 357.498 2.635 20 30 FFEDMP C=CCO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC=C)C3)c2)C1 ZINC001328001824 1048130954 /nfs/dbraw/zinc/13/09/54/1048130954.db2.gz RMFCWGXFKWQJGG-OYRHEFFESA-N 2 1 357.498 2.635 20 30 FFEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000849085491 1055634082 /nfs/dbraw/zinc/63/40/82/1055634082.db2.gz OPAUWPPUTQPNKR-OAQYLSRUSA-N 2 1 352.482 2.619 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CCN(C2CCC2)CC1 ZINC001515995629 1059922117 /nfs/dbraw/zinc/92/21/17/1059922117.db2.gz BYWGGFSQZAOOQA-SFHVURJKSA-N 2 1 358.534 2.686 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC001526370308 1061099391 /nfs/dbraw/zinc/09/93/91/1061099391.db2.gz DNMOFIGYEPENMT-UHFFFAOYSA-N 2 1 367.478 2.701 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001479453447 1062420924 /nfs/dbraw/zinc/42/09/24/1062420924.db2.gz DANQLWHKYMLYFK-IOMROCGXSA-N 2 1 368.525 2.807 20 30 FFEDMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC001578186782 1078448616 /nfs/dbraw/zinc/44/86/16/1078448616.db2.gz FNMXJBMHDUGXNJ-FDFHNCONSA-N 2 1 365.477 2.726 20 30 FFEDMP C#CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC001574518484 1078007626 /nfs/dbraw/zinc/00/76/26/1078007626.db2.gz YCHWRAUVAAFFKM-PGRDOPGGSA-N 2 1 353.510 2.680 20 30 FFEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000130668006 508829358 /nfs/dbraw/zinc/82/93/58/508829358.db2.gz HOXBYWHLRYATEE-UHFFFAOYSA-N 2 1 374.504 2.613 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000247890613 509188367 /nfs/dbraw/zinc/18/83/67/509188367.db2.gz FHDMTSGSCDZDMY-VAMGGRTRSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000247890613 509188373 /nfs/dbraw/zinc/18/83/73/509188373.db2.gz FHDMTSGSCDZDMY-VAMGGRTRSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000247890613 509188384 /nfs/dbraw/zinc/18/83/84/509188384.db2.gz FHDMTSGSCDZDMY-VAMGGRTRSA-N 2 1 374.525 2.580 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C[NH+](C)C)C3)sc2C1 ZINC000265182650 509906654 /nfs/dbraw/zinc/90/66/54/509906654.db2.gz WTMIVNTZHPITGH-LSDHHAIUSA-N 2 1 374.554 2.957 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C[NH+](C)C)C3)sc2C1 ZINC000265182650 509906660 /nfs/dbraw/zinc/90/66/60/509906660.db2.gz WTMIVNTZHPITGH-LSDHHAIUSA-N 2 1 374.554 2.957 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000245678844 510079464 /nfs/dbraw/zinc/07/94/64/510079464.db2.gz GFAKZSGNXBZNJA-IPMKNSEASA-N 2 1 350.551 2.809 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184743287 510495248 /nfs/dbraw/zinc/49/52/48/510495248.db2.gz NMWGPSDFZDRMAW-SPEDKVCISA-N 2 1 370.541 2.787 20 30 FFEDMP N#Cc1ccsc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246538927 510543526 /nfs/dbraw/zinc/54/35/26/510543526.db2.gz JTVAFEFGBLUVHY-DOTOQJQBSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246538927 510543534 /nfs/dbraw/zinc/54/35/34/510543534.db2.gz JTVAFEFGBLUVHY-DOTOQJQBSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246538927 510543553 /nfs/dbraw/zinc/54/35/53/510543553.db2.gz JTVAFEFGBLUVHY-DOTOQJQBSA-N 2 1 358.511 2.897 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)N(C)CCC#N ZINC000266447458 510592665 /nfs/dbraw/zinc/59/26/65/510592665.db2.gz IKOFNPZVTORRGC-QGZVFWFLSA-N 2 1 368.481 2.762 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246804373 510684203 /nfs/dbraw/zinc/68/42/03/510684203.db2.gz NAVHPAQSAPKYSF-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246804373 510684211 /nfs/dbraw/zinc/68/42/11/510684211.db2.gz NAVHPAQSAPKYSF-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246804373 510684216 /nfs/dbraw/zinc/68/42/16/510684216.db2.gz NAVHPAQSAPKYSF-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246804373 510684224 /nfs/dbraw/zinc/68/42/24/510684224.db2.gz NAVHPAQSAPKYSF-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282495115 511000330 /nfs/dbraw/zinc/00/03/30/511000330.db2.gz MWJSPIFZWGDUCZ-IBGZPJMESA-N 2 1 356.514 2.639 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282495115 511000333 /nfs/dbraw/zinc/00/03/33/511000333.db2.gz MWJSPIFZWGDUCZ-IBGZPJMESA-N 2 1 356.514 2.639 20 30 FFEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279774089 511209898 /nfs/dbraw/zinc/20/98/98/511209898.db2.gz BIRZRCGBYLSSCO-UHFFFAOYSA-N 2 1 356.514 2.586 20 30 FFEDMP CN(C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329425863 512045210 /nfs/dbraw/zinc/04/52/10/512045210.db2.gz IQRRXXDXEVGZNV-VPSFDDGASA-N 2 1 373.545 2.966 20 30 FFEDMP CN(C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329425863 512045211 /nfs/dbraw/zinc/04/52/11/512045211.db2.gz IQRRXXDXEVGZNV-VPSFDDGASA-N 2 1 373.545 2.966 20 30 FFEDMP N#CCSCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367602583 512580045 /nfs/dbraw/zinc/58/00/45/512580045.db2.gz UUKPVJQVGHVJIC-HXUWFJFHSA-N 2 1 358.555 2.525 20 30 FFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378371385 512725133 /nfs/dbraw/zinc/72/51/33/512725133.db2.gz OXBQTZZCHNOWKI-PWRODBHTSA-N 2 1 356.514 2.720 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(OC)c1O ZINC000370706398 513063283 /nfs/dbraw/zinc/06/32/83/513063283.db2.gz MGNOJHOUPANEKI-PXNSSMCTSA-N 2 1 373.541 2.587 20 30 FFEDMP C=CCc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(OC)c1O ZINC000370706398 513063288 /nfs/dbraw/zinc/06/32/88/513063288.db2.gz MGNOJHOUPANEKI-PXNSSMCTSA-N 2 1 373.541 2.587 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000413246958 513545771 /nfs/dbraw/zinc/54/57/71/513545771.db2.gz UVRFNPOHIFJRFS-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000413246958 513545774 /nfs/dbraw/zinc/54/57/74/513545774.db2.gz UVRFNPOHIFJRFS-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179134 514407848 /nfs/dbraw/zinc/40/78/48/514407848.db2.gz XTETYCQOEZQLLO-HSALFYBXSA-N 2 1 354.498 2.521 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179141 514408621 /nfs/dbraw/zinc/40/86/21/514408621.db2.gz XTETYCQOEZQLLO-UFYCRDLUSA-N 2 1 354.498 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475452355 514669899 /nfs/dbraw/zinc/66/98/99/514669899.db2.gz UFRDBXIGEIXTKL-FQEVSTJZSA-N 2 1 370.541 2.976 20 30 FFEDMP C=CCC[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000467292176 514965769 /nfs/dbraw/zinc/96/57/69/514965769.db2.gz ZWLPJUMFXPNVAC-FQEVSTJZSA-N 2 1 359.514 2.846 20 30 FFEDMP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000507596318 516257642 /nfs/dbraw/zinc/25/76/42/516257642.db2.gz NVXPXZKSUHQVTI-HOHBBMLPSA-N 2 1 368.525 2.568 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000576491340 518619286 /nfs/dbraw/zinc/61/92/86/518619286.db2.gz YDESUVLNQSCWNU-WMZOPIPTSA-N 2 1 367.497 2.817 20 30 FFEDMP N#Cc1ccc(NC(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000571689849 519221967 /nfs/dbraw/zinc/22/19/67/519221967.db2.gz UJBHUJCPLSQFLU-RTWAWAEBSA-N 2 1 374.488 2.951 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)c(OC)c1 ZINC000566125711 519318719 /nfs/dbraw/zinc/31/87/19/519318719.db2.gz VJUMQFNBXFRIST-SOAGJPPSSA-N 2 1 374.525 2.770 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000566646575 519594507 /nfs/dbraw/zinc/59/45/07/519594507.db2.gz PEVCIFQABDLJCY-HDICACEKSA-N 2 1 351.535 2.907 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000566646575 519594512 /nfs/dbraw/zinc/59/45/12/519594512.db2.gz PEVCIFQABDLJCY-HDICACEKSA-N 2 1 351.535 2.907 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000609166821 520216708 /nfs/dbraw/zinc/21/67/08/520216708.db2.gz DISFZZZRXGWHDC-IBGZPJMESA-N 2 1 374.504 2.732 20 30 FFEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCCCC#N ZINC000594994336 520247626 /nfs/dbraw/zinc/24/76/26/520247626.db2.gz SQNMMEUERQBVDE-IBGZPJMESA-N 2 1 373.497 2.721 20 30 FFEDMP C=CCCSCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000597971288 520355998 /nfs/dbraw/zinc/35/59/98/520355998.db2.gz WEAUQFVPXHGTOE-UHFFFAOYSA-N 2 1 353.576 2.608 20 30 FFEDMP N#Cc1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000603875334 520387817 /nfs/dbraw/zinc/38/78/17/520387817.db2.gz FMGLFSZQVANMRD-UHFFFAOYSA-N 2 1 368.525 2.762 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000600720644 520423389 /nfs/dbraw/zinc/42/33/89/520423389.db2.gz IMHQGCRMFOZJST-RTWAWAEBSA-N 2 1 371.525 2.560 20 30 FFEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596657164 521194475 /nfs/dbraw/zinc/19/44/75/521194475.db2.gz JLSCQYXNEQFWNT-LJQANCHMSA-N 2 1 371.529 2.504 20 30 FFEDMP C[NH+]=C(NCc1nccs1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000177171987 729130238 /nfs/dbraw/zinc/13/02/38/729130238.db2.gz CJTKYZPMXAPLPX-BBRMVZONSA-N 2 1 363.556 2.953 20 30 FFEDMP C[NH+]=C(NCc1cccn1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262760333 729670535 /nfs/dbraw/zinc/67/05/35/729670535.db2.gz DAYCOKOLINFOLK-YJBOKZPZSA-N 2 1 359.543 2.835 20 30 FFEDMP CCOc1ccc(Cl)cc1CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000305286915 729737946 /nfs/dbraw/zinc/73/79/46/729737946.db2.gz FLTAGYJXTDCTMX-INIZCTEOSA-N 2 1 352.910 2.670 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305665990 729738376 /nfs/dbraw/zinc/73/83/76/729738376.db2.gz HZSVFZNMOYXBKQ-WMLDXEAASA-N 2 1 370.900 2.803 20 30 FFEDMP C[NH+](C)CCOC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000755001988 736225030 /nfs/dbraw/zinc/22/50/30/736225030.db2.gz NQFUSYBVHQYJNB-UHFFFAOYSA-N 2 1 366.303 2.863 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087749926 968891495 /nfs/dbraw/zinc/89/14/95/968891495.db2.gz IBAIAKCLRRAGSA-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001024448644 968926016 /nfs/dbraw/zinc/92/60/16/968926016.db2.gz UFUMACVFFTWMOH-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001024968254 969428515 /nfs/dbraw/zinc/42/85/15/969428515.db2.gz UKBWPYADRWNMDB-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129520 972972970 /nfs/dbraw/zinc/97/29/70/972972970.db2.gz RUNDHVSYSHAWEQ-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129520 972972982 /nfs/dbraw/zinc/97/29/82/972972982.db2.gz RUNDHVSYSHAWEQ-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129520 972972988 /nfs/dbraw/zinc/97/29/88/972972988.db2.gz RUNDHVSYSHAWEQ-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129520 972972997 /nfs/dbraw/zinc/97/29/97/972972997.db2.gz RUNDHVSYSHAWEQ-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797631 974097824 /nfs/dbraw/zinc/09/78/24/974097824.db2.gz MTFWVHJMKSBJGS-KCZVDYSFSA-N 2 1 369.509 2.788 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797631 974097828 /nfs/dbraw/zinc/09/78/28/974097828.db2.gz MTFWVHJMKSBJGS-KCZVDYSFSA-N 2 1 369.509 2.788 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1Cc1ccccc1C#N ZINC001088709586 975426635 /nfs/dbraw/zinc/42/66/35/975426635.db2.gz JHXRDOCDZCLPLT-QRWLVFNGSA-N 2 1 359.433 2.599 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530433 975523146 /nfs/dbraw/zinc/52/31/46/975523146.db2.gz URTFYCYSQMDCIX-WFXMLNOXSA-N 2 1 356.514 2.548 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088748427 975747581 /nfs/dbraw/zinc/74/75/81/975747581.db2.gz FCNPJFBBJYANPD-QRWLVFNGSA-N 2 1 359.433 2.599 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088811352 976656112 /nfs/dbraw/zinc/65/61/12/976656112.db2.gz XYXOKEGCUFHBDV-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088811352 976656117 /nfs/dbraw/zinc/65/61/17/976656117.db2.gz XYXOKEGCUFHBDV-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088811352 976656123 /nfs/dbraw/zinc/65/61/23/976656123.db2.gz XYXOKEGCUFHBDV-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000178573557 977375796 /nfs/dbraw/zinc/37/57/96/977375796.db2.gz GKXZUHLSQDLJOK-CYBMUJFWSA-N 2 1 374.407 2.669 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087459686 977982820 /nfs/dbraw/zinc/98/28/20/977982820.db2.gz RHSFVWFLIQWGCC-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087459686 977982827 /nfs/dbraw/zinc/98/28/27/977982827.db2.gz RHSFVWFLIQWGCC-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087459686 977982835 /nfs/dbraw/zinc/98/28/35/977982835.db2.gz RHSFVWFLIQWGCC-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087462790 978129854 /nfs/dbraw/zinc/12/98/54/978129854.db2.gz AJIHXWQMACEPHU-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087462790 978129856 /nfs/dbraw/zinc/12/98/56/978129856.db2.gz AJIHXWQMACEPHU-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087462790 978129858 /nfs/dbraw/zinc/12/98/58/978129858.db2.gz AJIHXWQMACEPHU-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000261811636 978413980 /nfs/dbraw/zinc/41/39/80/978413980.db2.gz SQGYANMVMMFDJL-ABHMUUKNSA-N 2 1 370.541 2.628 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001029967073 980162347 /nfs/dbraw/zinc/16/23/47/980162347.db2.gz UGJBTEPJRAIZNR-DYESRHJHSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001029967073 980162352 /nfs/dbraw/zinc/16/23/52/980162352.db2.gz UGJBTEPJRAIZNR-DYESRHJHSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001029967073 980162358 /nfs/dbraw/zinc/16/23/58/980162358.db2.gz UGJBTEPJRAIZNR-DYESRHJHSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@H]1CCOCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCOCC[C@@H]2C)c1 ZINC000878374268 1015014093 /nfs/dbraw/zinc/01/40/93/1015014093.db2.gz QSLPAZUADILKGW-ROUUACIJSA-N 2 1 357.498 2.780 20 30 FFEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000997102742 985127570 /nfs/dbraw/zinc/12/75/70/985127570.db2.gz YABMOPGJZHHULW-CBGDNZLLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088898335 985369624 /nfs/dbraw/zinc/36/96/24/985369624.db2.gz AKZSGUQRKLQEGZ-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088898335 985369636 /nfs/dbraw/zinc/36/96/36/985369636.db2.gz AKZSGUQRKLQEGZ-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088898335 985369646 /nfs/dbraw/zinc/36/96/46/985369646.db2.gz AKZSGUQRKLQEGZ-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001112539876 985755929 /nfs/dbraw/zinc/75/59/29/985755929.db2.gz VJLRLLCFYOGSAZ-RXVVDRJESA-N 2 1 356.514 2.638 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3CC)[C@@H]2C)CC1 ZINC001089059960 986141648 /nfs/dbraw/zinc/14/16/48/986141648.db2.gz KUOBNRGJZIJVJP-GCJKJVERSA-N 2 1 367.537 2.673 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)cccc3C)[C@@H]2C)CC1 ZINC001089060112 986141860 /nfs/dbraw/zinc/14/18/60/986141860.db2.gz ULEZTPBOBMGNTN-KNQAVFIVSA-N 2 1 367.537 2.728 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)cc(C)c3)[C@@H]2C)CC1 ZINC001089060143 986143808 /nfs/dbraw/zinc/14/38/08/986143808.db2.gz VPXXLOCSHZXLQT-KNQAVFIVSA-N 2 1 367.537 2.728 20 30 FFEDMP COC[C@H]1CCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCC[C@@H]2COC)c1 ZINC000879051124 1015340358 /nfs/dbraw/zinc/34/03/58/1015340358.db2.gz NNNOMXPVNUWRDI-NHCUHLMSSA-N 2 1 357.498 2.780 20 30 FFEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349550 987995675 /nfs/dbraw/zinc/99/56/75/987995675.db2.gz MOCQKRUGOZTPKD-QZTJIDSGSA-N 2 1 365.562 2.526 20 30 FFEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000922389229 988536100 /nfs/dbraw/zinc/53/61/00/988536100.db2.gz SKLBJYGQBDXHKO-CZYKHXBRSA-N 2 1 370.541 2.606 20 30 FFEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C2 ZINC000922389270 988538097 /nfs/dbraw/zinc/53/80/97/988538097.db2.gz SMIQZSBMABRPMY-CZYKHXBRSA-N 2 1 371.525 2.938 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001005414219 989769841 /nfs/dbraw/zinc/76/98/41/989769841.db2.gz AZVXADBXLRLPOY-FCHUYYIVSA-N 2 1 367.537 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108242 990168928 /nfs/dbraw/zinc/16/89/28/990168928.db2.gz HWCAKYVCPYUSDS-BDTNDASRSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108242 990168930 /nfs/dbraw/zinc/16/89/30/990168930.db2.gz HWCAKYVCPYUSDS-BDTNDASRSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108242 990168934 /nfs/dbraw/zinc/16/89/34/990168934.db2.gz HWCAKYVCPYUSDS-BDTNDASRSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108242 990168937 /nfs/dbraw/zinc/16/89/37/990168937.db2.gz HWCAKYVCPYUSDS-BDTNDASRSA-N 2 1 365.521 2.597 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341497 991082832 /nfs/dbraw/zinc/08/28/32/991082832.db2.gz LIJQKRHXHBXOJP-MSOLQXFVSA-N 2 1 368.506 2.692 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341497 991082838 /nfs/dbraw/zinc/08/28/38/991082838.db2.gz LIJQKRHXHBXOJP-MSOLQXFVSA-N 2 1 368.506 2.692 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106905329 991291383 /nfs/dbraw/zinc/29/13/83/991291383.db2.gz KOQVVUZPLVITPC-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079162641 991868089 /nfs/dbraw/zinc/86/80/89/991868089.db2.gz USIHOUIKPDGWNJ-YSIASYRMSA-N 2 1 359.489 2.628 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082774244 995469944 /nfs/dbraw/zinc/46/99/44/995469944.db2.gz JRSRDPPEWBVFKX-VQIMIIECSA-N 2 1 365.481 2.515 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090874203 997557867 /nfs/dbraw/zinc/55/78/67/997557867.db2.gz FWXQMUMVBUJWIZ-HLAWJBBLSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCC4CCCCC4)C[C@H]32)CC1 ZINC001084851136 997643469 /nfs/dbraw/zinc/64/34/69/997643469.db2.gz OIUUYCUWAQYUNG-FGZHOGPDSA-N 2 1 371.569 2.835 20 30 FFEDMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1)[NH+](C)C ZINC001084964641 998399417 /nfs/dbraw/zinc/39/94/17/998399417.db2.gz JUNWVFZFZPHHQI-HKBOAZHASA-N 2 1 368.525 2.567 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747467 1016240616 /nfs/dbraw/zinc/24/06/16/1016240616.db2.gz OWGMIHMZWSCFMW-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747467 1016240623 /nfs/dbraw/zinc/24/06/23/1016240623.db2.gz OWGMIHMZWSCFMW-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747467 1016240628 /nfs/dbraw/zinc/24/06/28/1016240628.db2.gz OWGMIHMZWSCFMW-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032959 998733502 /nfs/dbraw/zinc/73/35/02/998733502.db2.gz KOUXMNRZJGGTRE-UWVAXJGDSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040218 998750139 /nfs/dbraw/zinc/75/01/39/998750139.db2.gz WBSHVQOWRIIGDI-CZYKHXBRSA-N 2 1 367.537 2.831 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040218 998750144 /nfs/dbraw/zinc/75/01/44/998750144.db2.gz WBSHVQOWRIIGDI-CZYKHXBRSA-N 2 1 367.537 2.831 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040218 998750148 /nfs/dbraw/zinc/75/01/48/998750148.db2.gz WBSHVQOWRIIGDI-CZYKHXBRSA-N 2 1 367.537 2.831 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001085309197 999337694 /nfs/dbraw/zinc/33/76/94/999337694.db2.gz CLHOFALLLQUCRZ-VRXWPRPYSA-N 2 1 368.525 2.806 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085313423 999343126 /nfs/dbraw/zinc/34/31/26/999343126.db2.gz XFLKAJLUKUSXCT-USXIJHARSA-N 2 1 350.894 2.523 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952742 999612767 /nfs/dbraw/zinc/61/27/67/999612767.db2.gz RRJRAVCYVPUBBA-TYPHKJRUSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952742 999612768 /nfs/dbraw/zinc/61/27/68/999612768.db2.gz RRJRAVCYVPUBBA-TYPHKJRUSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952742 999612771 /nfs/dbraw/zinc/61/27/71/999612771.db2.gz RRJRAVCYVPUBBA-TYPHKJRUSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000737952742 999612774 /nfs/dbraw/zinc/61/27/74/999612774.db2.gz RRJRAVCYVPUBBA-TYPHKJRUSA-N 2 1 353.510 2.596 20 30 FFEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109419599 1000411412 /nfs/dbraw/zinc/41/14/12/1000411412.db2.gz WUQCUSGWXKQUMK-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109419599 1000411417 /nfs/dbraw/zinc/41/14/17/1000411417.db2.gz WUQCUSGWXKQUMK-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109419599 1000411422 /nfs/dbraw/zinc/41/14/22/1000411422.db2.gz WUQCUSGWXKQUMK-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109419599 1000411428 /nfs/dbraw/zinc/41/14/28/1000411428.db2.gz WUQCUSGWXKQUMK-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822435 1001053617 /nfs/dbraw/zinc/05/36/17/1001053617.db2.gz OUCLWYKJBQKWAP-AABGKKOBSA-N 2 1 373.545 2.526 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968705 1001210616 /nfs/dbraw/zinc/21/06/16/1001210616.db2.gz INKBYLFSRQVDKF-ANULTFPQSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968705 1001210622 /nfs/dbraw/zinc/21/06/22/1001210622.db2.gz INKBYLFSRQVDKF-ANULTFPQSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968705 1001210628 /nfs/dbraw/zinc/21/06/28/1001210628.db2.gz INKBYLFSRQVDKF-ANULTFPQSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968705 1001210634 /nfs/dbraw/zinc/21/06/34/1001210634.db2.gz INKBYLFSRQVDKF-ANULTFPQSA-N 2 1 371.525 2.604 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188737 1002482521 /nfs/dbraw/zinc/48/25/21/1002482521.db2.gz TVJBRSWMPAEDHX-QUCCMNQESA-N 2 1 365.949 2.641 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188737 1002482533 /nfs/dbraw/zinc/48/25/33/1002482533.db2.gz TVJBRSWMPAEDHX-QUCCMNQESA-N 2 1 365.949 2.641 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086606223 1002945062 /nfs/dbraw/zinc/94/50/62/1002945062.db2.gz RVNYQQVIRPOGBP-SESVDKBCSA-N 2 1 364.493 2.524 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086606223 1002945070 /nfs/dbraw/zinc/94/50/70/1002945070.db2.gz RVNYQQVIRPOGBP-SESVDKBCSA-N 2 1 364.493 2.524 20 30 FFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000747468900 1004783252 /nfs/dbraw/zinc/78/32/52/1004783252.db2.gz AXLBGAPDICEECP-HXUWFJFHSA-N 2 1 367.497 2.812 20 30 FFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000747468900 1004783256 /nfs/dbraw/zinc/78/32/56/1004783256.db2.gz AXLBGAPDICEECP-HXUWFJFHSA-N 2 1 367.497 2.812 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC001201417377 1005211970 /nfs/dbraw/zinc/21/19/70/1005211970.db2.gz WTSQQXIGZUZYSC-RBUKOAKNSA-N 2 1 360.498 2.727 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000121582651 1005220305 /nfs/dbraw/zinc/22/03/05/1005220305.db2.gz PLKJLTKVYKQKAR-DNVCBOLYSA-N 2 1 361.453 2.862 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000852867392 1006213382 /nfs/dbraw/zinc/21/33/82/1006213382.db2.gz URANVWPHLLKGSP-HSZRJFAPSA-N 2 1 365.521 2.504 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001086720847 1006256889 /nfs/dbraw/zinc/25/68/89/1006256889.db2.gz RGNBQFLVKPLCOU-NNWRFLSQSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001086720847 1006256901 /nfs/dbraw/zinc/25/69/01/1006256901.db2.gz RGNBQFLVKPLCOU-NNWRFLSQSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001086720865 1006256922 /nfs/dbraw/zinc/25/69/22/1006256922.db2.gz SFBFBOUVNOZDBI-HBMCJLEFSA-N 2 1 371.500 2.628 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001086720865 1006256929 /nfs/dbraw/zinc/25/69/29/1006256929.db2.gz SFBFBOUVNOZDBI-HBMCJLEFSA-N 2 1 371.500 2.628 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086721044 1006277966 /nfs/dbraw/zinc/27/79/66/1006277966.db2.gz CCOIWIXZPVTQBG-SXLOBPIMSA-N 2 1 357.542 2.539 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086721044 1006277982 /nfs/dbraw/zinc/27/79/82/1006277982.db2.gz CCOIWIXZPVTQBG-SXLOBPIMSA-N 2 1 357.542 2.539 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001097976086 1017037328 /nfs/dbraw/zinc/03/73/28/1017037328.db2.gz SHNRFKATOYNWPW-NJYVYQBISA-N 2 1 366.509 2.512 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000817097372 1007427543 /nfs/dbraw/zinc/42/75/43/1007427543.db2.gz FMSYIPPSHQOIAO-NRFANRHFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000817097372 1007427547 /nfs/dbraw/zinc/42/75/47/1007427547.db2.gz FMSYIPPSHQOIAO-NRFANRHFSA-N 2 1 365.521 2.599 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110739756 1008305569 /nfs/dbraw/zinc/30/55/69/1008305569.db2.gz PQABQEYHSKHNDV-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110739756 1008305574 /nfs/dbraw/zinc/30/55/74/1008305574.db2.gz PQABQEYHSKHNDV-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110739756 1008305582 /nfs/dbraw/zinc/30/55/82/1008305582.db2.gz PQABQEYHSKHNDV-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110739756 1008305588 /nfs/dbraw/zinc/30/55/88/1008305588.db2.gz PQABQEYHSKHNDV-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP C#C[C@@H](NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000820583050 1008351254 /nfs/dbraw/zinc/35/12/54/1008351254.db2.gz DVZHHHVVQYBWQE-OAQYLSRUSA-N 2 1 368.525 2.563 20 30 FFEDMP CC#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001093371802 1010231767 /nfs/dbraw/zinc/23/17/67/1010231767.db2.gz VGHXPBCRZLKRPL-HBMCJLEFSA-N 2 1 371.569 2.833 20 30 FFEDMP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371802 1010231774 /nfs/dbraw/zinc/23/17/74/1010231774.db2.gz VGHXPBCRZLKRPL-HBMCJLEFSA-N 2 1 371.569 2.833 20 30 FFEDMP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371802 1010231780 /nfs/dbraw/zinc/23/17/80/1010231780.db2.gz VGHXPBCRZLKRPL-HBMCJLEFSA-N 2 1 371.569 2.833 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093835638 1010607039 /nfs/dbraw/zinc/60/70/39/1010607039.db2.gz CXWAKVXRJOHUGB-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1OC1CCCC1 ZINC000304665199 1012813407 /nfs/dbraw/zinc/81/34/07/1012813407.db2.gz KQCIHUHJEVXYIE-QGZVFWFLSA-N 2 1 374.529 2.905 20 30 FFEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001040862422 1018725057 /nfs/dbraw/zinc/72/50/57/1018725057.db2.gz LDMAPYLETTUFKF-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000900045642 1020154000 /nfs/dbraw/zinc/15/40/00/1020154000.db2.gz PQMBYJDFTXCMNR-NHCUHLMSSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)cc1 ZINC000900045642 1020154002 /nfs/dbraw/zinc/15/40/02/1020154002.db2.gz PQMBYJDFTXCMNR-NHCUHLMSSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC2)cc1 ZINC000900045642 1020154007 /nfs/dbraw/zinc/15/40/07/1020154007.db2.gz PQMBYJDFTXCMNR-NHCUHLMSSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC2)cc1 ZINC000900045642 1020154008 /nfs/dbraw/zinc/15/40/08/1020154008.db2.gz PQMBYJDFTXCMNR-NHCUHLMSSA-N 2 1 366.509 2.609 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001099027230 1021625229 /nfs/dbraw/zinc/62/52/29/1021625229.db2.gz LFLQCFSMAKTPNI-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001099027230 1021625236 /nfs/dbraw/zinc/62/52/36/1021625236.db2.gz LFLQCFSMAKTPNI-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001099027230 1021625242 /nfs/dbraw/zinc/62/52/42/1021625242.db2.gz LFLQCFSMAKTPNI-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001017134098 1022166196 /nfs/dbraw/zinc/16/61/96/1022166196.db2.gz VOYAXSUHCYGONS-LVCYWYKZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001017134098 1022166199 /nfs/dbraw/zinc/16/61/99/1022166199.db2.gz VOYAXSUHCYGONS-LVCYWYKZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001017134098 1022166202 /nfs/dbraw/zinc/16/62/02/1022166202.db2.gz VOYAXSUHCYGONS-LVCYWYKZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C[NH2+]C[C@@H]2C#N)cc13 ZINC001218200096 1033046060 /nfs/dbraw/zinc/04/60/60/1033046060.db2.gz DYSIVKYYAFHKLS-FVQLTZBISA-N 2 1 351.494 2.865 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001099448227 1022543126 /nfs/dbraw/zinc/54/31/26/1022543126.db2.gz GKMLNGDTEGYSDM-ZJOUEHCJSA-N 2 1 371.550 2.564 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001099448227 1022543132 /nfs/dbraw/zinc/54/31/32/1022543132.db2.gz GKMLNGDTEGYSDM-ZJOUEHCJSA-N 2 1 371.550 2.564 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122543324 1023329869 /nfs/dbraw/zinc/32/98/69/1023329869.db2.gz DHOYJLHVKJGUAN-KRWDZBQOSA-N 2 1 360.550 2.630 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121495501 1023810094 /nfs/dbraw/zinc/81/00/94/1023810094.db2.gz JJEHDDLJMJHQSA-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487057 1024874212 /nfs/dbraw/zinc/87/42/12/1024874212.db2.gz LMQMOHFTLMIUAE-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487057 1024874214 /nfs/dbraw/zinc/87/42/14/1024874214.db2.gz LMQMOHFTLMIUAE-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487057 1024874224 /nfs/dbraw/zinc/87/42/24/1024874224.db2.gz LMQMOHFTLMIUAE-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487057 1024874228 /nfs/dbraw/zinc/87/42/28/1024874228.db2.gz LMQMOHFTLMIUAE-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039552 1033259535 /nfs/dbraw/zinc/25/95/35/1033259535.db2.gz KPDQZITVTZROCL-QUCCMNQESA-N 2 1 356.514 2.797 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103375956 1027341646 /nfs/dbraw/zinc/34/16/46/1027341646.db2.gz DWYAEKUCLUISPR-XYPHTWIQSA-N 2 1 364.921 2.581 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103375956 1027341656 /nfs/dbraw/zinc/34/16/56/1027341656.db2.gz DWYAEKUCLUISPR-XYPHTWIQSA-N 2 1 364.921 2.581 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583007 1027724633 /nfs/dbraw/zinc/72/46/33/1027724633.db2.gz KNBPFFJLQPNANR-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583007 1027724644 /nfs/dbraw/zinc/72/46/44/1027724644.db2.gz KNBPFFJLQPNANR-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103662741 1027917285 /nfs/dbraw/zinc/91/72/85/1027917285.db2.gz OEIVBAFVMCOUMC-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103662741 1027917291 /nfs/dbraw/zinc/91/72/91/1027917291.db2.gz OEIVBAFVMCOUMC-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103662741 1027917301 /nfs/dbraw/zinc/91/73/01/1027917301.db2.gz OEIVBAFVMCOUMC-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111996394 1029845077 /nfs/dbraw/zinc/84/50/77/1029845077.db2.gz XZNQRILDJVFFSV-ZVDOUQERSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111996394 1029845086 /nfs/dbraw/zinc/84/50/86/1029845086.db2.gz XZNQRILDJVFFSV-ZVDOUQERSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001111996394 1029845092 /nfs/dbraw/zinc/84/50/92/1029845092.db2.gz XZNQRILDJVFFSV-ZVDOUQERSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001111996394 1029845099 /nfs/dbraw/zinc/84/50/99/1029845099.db2.gz XZNQRILDJVFFSV-ZVDOUQERSA-N 2 1 365.562 2.648 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112114510 1030039731 /nfs/dbraw/zinc/03/97/31/1030039731.db2.gz ULCQUVYIIJCWRZ-ARFHVFGLSA-N 2 1 361.452 2.804 20 30 FFEDMP C=CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204301282 1031218966 /nfs/dbraw/zinc/21/89/66/1031218966.db2.gz VAAFUWFAMYHCJU-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204301282 1031218978 /nfs/dbraw/zinc/21/89/78/1031218978.db2.gz VAAFUWFAMYHCJU-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204301282 1031218982 /nfs/dbraw/zinc/21/89/82/1031218982.db2.gz VAAFUWFAMYHCJU-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204301282 1031218992 /nfs/dbraw/zinc/21/89/92/1031218992.db2.gz VAAFUWFAMYHCJU-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1c1ccc(F)cc1 ZINC001205292913 1031653120 /nfs/dbraw/zinc/65/31/20/1031653120.db2.gz RXSIWDUXKGEAPT-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)CC1 ZINC000799178394 1031681449 /nfs/dbraw/zinc/68/14/49/1031681449.db2.gz PHVQIMDLLTYIPA-UHFFFAOYSA-N 2 1 351.454 2.916 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cccc(F)c1 ZINC001205452408 1031758064 /nfs/dbraw/zinc/75/80/64/1031758064.db2.gz DVPQIFOKMNDSET-VWPQPMDRSA-N 2 1 371.500 2.772 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218730269 1033307609 /nfs/dbraw/zinc/30/76/09/1033307609.db2.gz UPQKUMZBPLCLNV-VQTJNVASSA-N 2 1 365.562 2.600 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001218775634 1033335847 /nfs/dbraw/zinc/33/58/47/1033335847.db2.gz DJWRUCHZHSYFQE-DZFGPLHGSA-N 2 1 371.525 2.628 20 30 FFEDMP C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799124 1033345181 /nfs/dbraw/zinc/34/51/81/1033345181.db2.gz KLXYHNFFLCQCLH-PMACEKPBSA-N 2 1 367.537 2.891 20 30 FFEDMP C[C@H](C#N)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871062 1033389212 /nfs/dbraw/zinc/38/92/12/1033389212.db2.gz GWRSSLCHVUYQSU-UTKZUKDTSA-N 2 1 374.488 2.974 20 30 FFEDMP C[C@H](C#N)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871062 1033389226 /nfs/dbraw/zinc/38/92/26/1033389226.db2.gz GWRSSLCHVUYQSU-UTKZUKDTSA-N 2 1 374.488 2.974 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000831791281 1034286032 /nfs/dbraw/zinc/28/60/32/1034286032.db2.gz WVSDAACUDSLOIC-UHFFFAOYSA-N 2 1 368.525 2.679 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001226824084 1034853136 /nfs/dbraw/zinc/85/31/36/1034853136.db2.gz KFOSVPKNWJESIH-WOJBJXKFSA-N 2 1 354.498 2.560 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226891879 1034875351 /nfs/dbraw/zinc/87/53/51/1034875351.db2.gz WBTZBIKGWALWQI-BHDDXSALSA-N 2 1 367.537 2.930 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001277840960 1036969293 /nfs/dbraw/zinc/96/92/93/1036969293.db2.gz NJHDUWCXWIQMQV-FPOVZHCZSA-N 2 1 365.562 2.502 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235521911 1037606165 /nfs/dbraw/zinc/60/61/65/1037606165.db2.gz KWHLKGVCGOHKJY-YADHBBJMSA-N 2 1 356.510 2.906 20 30 FFEDMP CCOC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001256026336 1038322675 /nfs/dbraw/zinc/32/26/75/1038322675.db2.gz VNYHCWFMVHEFNX-VAMGGRTRSA-N 2 1 370.497 2.861 20 30 FFEDMP CC(C)N(C)Cc1nnc2n1CCC[N@H+](CCCc1ccc(C#N)cc1)C2 ZINC001208861072 1038560530 /nfs/dbraw/zinc/56/05/30/1038560530.db2.gz ADSFFIGSUWBHKX-UHFFFAOYSA-N 2 1 366.513 2.828 20 30 FFEDMP CC(C)N(C)Cc1nnc2n1CCCN(CCCc1ccc(C#N)cc1)C2 ZINC001208861072 1038560536 /nfs/dbraw/zinc/56/05/36/1038560536.db2.gz ADSFFIGSUWBHKX-UHFFFAOYSA-N 2 1 366.513 2.828 20 30 FFEDMP N#Cc1ccc(CCN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001208927298 1038591234 /nfs/dbraw/zinc/59/12/34/1038591234.db2.gz WQHIDZBJSKXSRX-FGZHOGPDSA-N 2 1 353.510 2.924 20 30 FFEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001208927298 1038591236 /nfs/dbraw/zinc/59/12/36/1038591236.db2.gz WQHIDZBJSKXSRX-FGZHOGPDSA-N 2 1 353.510 2.924 20 30 FFEDMP N#Cc1ccc(CC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001208927298 1038591240 /nfs/dbraw/zinc/59/12/40/1038591240.db2.gz WQHIDZBJSKXSRX-FGZHOGPDSA-N 2 1 353.510 2.924 20 30 FFEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001208927298 1038591243 /nfs/dbraw/zinc/59/12/43/1038591243.db2.gz WQHIDZBJSKXSRX-FGZHOGPDSA-N 2 1 353.510 2.924 20 30 FFEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001208927298 1038591250 /nfs/dbraw/zinc/59/12/50/1038591250.db2.gz WQHIDZBJSKXSRX-FGZHOGPDSA-N 2 1 353.510 2.924 20 30 FFEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861224 1038639048 /nfs/dbraw/zinc/63/90/48/1038639048.db2.gz SUDQIFAMKTYQTM-FQEVSTJZSA-N 2 1 367.497 2.586 20 30 FFEDMP CCC[NH+]1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001258774442 1039511172 /nfs/dbraw/zinc/51/11/72/1039511172.db2.gz OEWYWEGNRHLFIW-JOCHJYFZSA-N 2 1 366.509 2.861 20 30 FFEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001252552803 1039595618 /nfs/dbraw/zinc/59/56/18/1039595618.db2.gz MLFCSYBUCFCKBB-WMZOPIPTSA-N 2 1 350.528 2.740 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001252595867 1039605247 /nfs/dbraw/zinc/60/52/47/1039605247.db2.gz KTEBRWFNUBLXSV-RTWAWAEBSA-N 2 1 373.541 2.712 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001252598830 1039609037 /nfs/dbraw/zinc/60/90/37/1039609037.db2.gz RYLHCWHMNFJFQR-OAQYLSRUSA-N 2 1 358.526 2.989 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213933587 1041087206 /nfs/dbraw/zinc/08/72/06/1041087206.db2.gz ALDJJEMRLBGTOY-AQNXPRMDSA-N 2 1 367.578 2.893 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001264483911 1042691846 /nfs/dbraw/zinc/69/18/46/1042691846.db2.gz FEIHYJQEPJTCRC-FUHWJXTLSA-N 2 1 353.470 2.722 20 30 FFEDMP Cc1ncoc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279358219 1043024952 /nfs/dbraw/zinc/02/49/52/1043024952.db2.gz IOOZIKAFTPMYHY-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1ncoc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279358219 1043024958 /nfs/dbraw/zinc/02/49/58/1043024958.db2.gz IOOZIKAFTPMYHY-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1ncoc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279358219 1043024962 /nfs/dbraw/zinc/02/49/62/1043024962.db2.gz IOOZIKAFTPMYHY-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP N#Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)ccc1F ZINC001279372728 1043034210 /nfs/dbraw/zinc/03/42/10/1043034210.db2.gz JUGSHOJZQHNXRV-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001279376239 1043036472 /nfs/dbraw/zinc/03/64/72/1043036472.db2.gz QSBJXBZHXMRPNU-JOCHJYFZSA-N 2 1 354.542 2.992 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238102795 1043536987 /nfs/dbraw/zinc/53/69/87/1043536987.db2.gz IMELIXQCQLUPKI-HXUWFJFHSA-N 2 1 354.454 2.945 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238102795 1043536994 /nfs/dbraw/zinc/53/69/94/1043536994.db2.gz IMELIXQCQLUPKI-HXUWFJFHSA-N 2 1 354.454 2.945 20 30 FFEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961493 1046309721 /nfs/dbraw/zinc/30/97/21/1046309721.db2.gz RRTRXTNUXVGSQH-RZUBCFFCSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961493 1046309735 /nfs/dbraw/zinc/30/97/35/1046309735.db2.gz RRTRXTNUXVGSQH-RZUBCFFCSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961493 1046309751 /nfs/dbraw/zinc/30/97/51/1046309751.db2.gz RRTRXTNUXVGSQH-RZUBCFFCSA-N 2 1 355.526 2.736 20 30 FFEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001500059836 1058434221 /nfs/dbraw/zinc/43/42/21/1058434221.db2.gz ITTIJQGMDCUEEL-ZPMCFJSWSA-N 2 1 363.505 2.950 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001500498819 1058505648 /nfs/dbraw/zinc/50/56/48/1058505648.db2.gz NMBCHMSIWRWMNQ-LSWJPFSZSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001500498819 1058505665 /nfs/dbraw/zinc/50/56/65/1058505665.db2.gz NMBCHMSIWRWMNQ-LSWJPFSZSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001500498819 1058505683 /nfs/dbraw/zinc/50/56/83/1058505683.db2.gz NMBCHMSIWRWMNQ-LSWJPFSZSA-N 2 1 367.537 2.597 20 30 FFEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001505786092 1059404469 /nfs/dbraw/zinc/40/44/69/1059404469.db2.gz KTVVUMGBRPYZIW-XABBQPORSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455296205 1059749446 /nfs/dbraw/zinc/74/94/46/1059749446.db2.gz RUFOJQOBRKNPPK-SFTDATJTSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455296205 1059749469 /nfs/dbraw/zinc/74/94/69/1059749469.db2.gz RUFOJQOBRKNPPK-SFTDATJTSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455296205 1059749489 /nfs/dbraw/zinc/74/94/89/1059749489.db2.gz RUFOJQOBRKNPPK-SFTDATJTSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001455296205 1059749508 /nfs/dbraw/zinc/74/95/08/1059749508.db2.gz RUFOJQOBRKNPPK-SFTDATJTSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001455296205 1059749537 /nfs/dbraw/zinc/74/95/37/1059749537.db2.gz RUFOJQOBRKNPPK-SFTDATJTSA-N 2 1 353.510 2.597 20 30 FFEDMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000848533809 1060234637 /nfs/dbraw/zinc/23/46/37/1060234637.db2.gz KIVWFUQOHUPPAL-MOPGFXCFSA-N 2 1 373.497 2.719 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)C(C)C ZINC001467660306 1063810695 /nfs/dbraw/zinc/81/06/95/1063810695.db2.gz MVPFEOWUOPGVOS-UYAOXDASSA-N 2 1 362.562 2.811 20 30 FFEDMP C#CC[NH2+]CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001574735561 1078076960 /nfs/dbraw/zinc/07/69/60/1078076960.db2.gz BFNKPXQQKNRNHK-FQEVSTJZSA-N 2 1 357.498 2.627 20 30 FFEDMP C#CC[NH2+]CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001574735561 1078076961 /nfs/dbraw/zinc/07/69/61/1078076961.db2.gz BFNKPXQQKNRNHK-FQEVSTJZSA-N 2 1 357.498 2.627 20 30 FFEDMP CC(C)N(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001575680913 1078163390 /nfs/dbraw/zinc/16/33/90/1078163390.db2.gz DEMWVVADKDKMQK-UXHICEINSA-N 2 1 356.514 2.909 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566003793 1076837736 /nfs/dbraw/zinc/83/77/36/1076837736.db2.gz LEVDHBIWDMPLTO-WOJBJXKFSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566003793 1076837742 /nfs/dbraw/zinc/83/77/42/1076837742.db2.gz LEVDHBIWDMPLTO-WOJBJXKFSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566003793 1076837748 /nfs/dbraw/zinc/83/77/48/1076837748.db2.gz LEVDHBIWDMPLTO-WOJBJXKFSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566003793 1076837752 /nfs/dbraw/zinc/83/77/52/1076837752.db2.gz LEVDHBIWDMPLTO-WOJBJXKFSA-N 2 1 359.489 2.770 20 30 FFEDMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000066961923 506712738 /nfs/dbraw/zinc/71/27/38/506712738.db2.gz UMSMNHVZEJEUEO-MRXNPFEDSA-N 2 1 354.498 2.684 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000050031942 507654708 /nfs/dbraw/zinc/65/47/08/507654708.db2.gz ZAXZJAVFRIJSLV-LJQANCHMSA-N 2 1 367.537 2.880 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000130848711 508855508 /nfs/dbraw/zinc/85/55/08/508855508.db2.gz ZPVOBNZISJQFIA-OHTSDLOESA-N 2 1 359.518 2.833 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000130848711 508855511 /nfs/dbraw/zinc/85/55/11/508855511.db2.gz ZPVOBNZISJQFIA-OHTSDLOESA-N 2 1 359.518 2.833 20 30 FFEDMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000130919229 508865145 /nfs/dbraw/zinc/86/51/45/508865145.db2.gz SLGKHKBSPQIKPK-CYBMUJFWSA-N 2 1 371.510 2.963 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000150746097 508884600 /nfs/dbraw/zinc/88/46/00/508884600.db2.gz GMIXKEZLSQANIM-WIYYLYMNSA-N 2 1 370.541 2.989 20 30 FFEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000131781738 508969771 /nfs/dbraw/zinc/96/97/71/508969771.db2.gz SEJXSUNBWIGPNM-AZUAARDMSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000131781738 508969773 /nfs/dbraw/zinc/96/97/73/508969773.db2.gz SEJXSUNBWIGPNM-AZUAARDMSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131781738 508969777 /nfs/dbraw/zinc/96/97/77/508969777.db2.gz SEJXSUNBWIGPNM-AZUAARDMSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131781738 508969779 /nfs/dbraw/zinc/96/97/79/508969779.db2.gz SEJXSUNBWIGPNM-AZUAARDMSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747580 510496619 /nfs/dbraw/zinc/49/66/19/510496619.db2.gz JYWDNKGKURQAMI-YVHKJVDXSA-N 2 1 368.525 2.541 20 30 FFEDMP C#CCOc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000178615495 510689475 /nfs/dbraw/zinc/68/94/75/510689475.db2.gz GEDWTZRJQATWPO-UHFFFAOYSA-N 2 1 350.466 2.864 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000330274857 510954013 /nfs/dbraw/zinc/95/40/13/510954013.db2.gz KSWNAJIVPSVINW-ZWKOTPCHSA-N 2 1 359.518 2.556 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000295009836 511251757 /nfs/dbraw/zinc/25/17/57/511251757.db2.gz MREXXKLRTQCMEW-CQSZACIVSA-N 2 1 355.404 2.967 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000295009836 511251759 /nfs/dbraw/zinc/25/17/59/511251759.db2.gz MREXXKLRTQCMEW-CQSZACIVSA-N 2 1 355.404 2.967 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000369590696 512499010 /nfs/dbraw/zinc/49/90/10/512499010.db2.gz GTCDQLCOJTXCEY-LJQANCHMSA-N 2 1 371.500 2.642 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000370020222 512731600 /nfs/dbraw/zinc/73/16/00/512731600.db2.gz QLUSVUXTPSNFNQ-NRFANRHFSA-N 2 1 353.510 2.645 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000420396687 514130102 /nfs/dbraw/zinc/13/01/02/514130102.db2.gz WALGQKNWFAFXGY-GHTZIAJQSA-N 2 1 359.514 2.692 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139814 514396993 /nfs/dbraw/zinc/39/69/93/514396993.db2.gz FMWPTAGPYWFCKQ-CTNGQTDRSA-N 2 1 354.498 2.522 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428236642 514428418 /nfs/dbraw/zinc/42/84/18/514428418.db2.gz KYNXUQYAIIIIDU-AWEZNQCLSA-N 2 1 368.319 2.629 20 30 FFEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433306352 514452816 /nfs/dbraw/zinc/45/28/16/514452816.db2.gz QSWCLTFGWVPGQG-KRWDZBQOSA-N 2 1 352.486 2.680 20 30 FFEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433306353 514453145 /nfs/dbraw/zinc/45/31/45/514453145.db2.gz QSWCLTFGWVPGQG-QGZVFWFLSA-N 2 1 352.486 2.680 20 30 FFEDMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428458374 514479235 /nfs/dbraw/zinc/47/92/35/514479235.db2.gz NTQAJJKXTIBVLX-UHFFFAOYSA-N 2 1 374.504 2.757 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000482637111 515746024 /nfs/dbraw/zinc/74/60/24/515746024.db2.gz XFJYEJKGAZNBQR-OAHLLOKOSA-N 2 1 351.516 2.749 20 30 FFEDMP COc1c(C)cnc(CN2CCC([N@@H+](C)CCOCCC#N)CC2)c1C ZINC000559145559 517098705 /nfs/dbraw/zinc/09/87/05/517098705.db2.gz KKCKJMVTIFWOTA-UHFFFAOYSA-N 2 1 360.502 2.534 20 30 FFEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCOCCC#N)CC2)c1C ZINC000559145559 517098715 /nfs/dbraw/zinc/09/87/15/517098715.db2.gz KKCKJMVTIFWOTA-UHFFFAOYSA-N 2 1 360.502 2.534 20 30 FFEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCOCCC#N)CC2)c1C ZINC000559145559 517098724 /nfs/dbraw/zinc/09/87/24/517098724.db2.gz KKCKJMVTIFWOTA-UHFFFAOYSA-N 2 1 360.502 2.534 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000527049857 517473036 /nfs/dbraw/zinc/47/30/36/517473036.db2.gz GYFLUUWBURFTPF-LSDHHAIUSA-N 2 1 351.454 2.782 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)cn3)CC2)CC1 ZINC000578374727 519558789 /nfs/dbraw/zinc/55/87/89/519558789.db2.gz KMCBLSXUTNZFDT-UHFFFAOYSA-N 3 1 355.530 2.581 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594544 521429769 /nfs/dbraw/zinc/42/97/69/521429769.db2.gz YTPBLKAQZPZVPD-PMACEKPBSA-N 2 1 356.514 2.959 20 30 FFEDMP C=C(Br)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159331515 728905296 /nfs/dbraw/zinc/90/52/96/728905296.db2.gz LGBMFCQITJJWEZ-UHFFFAOYSA-N 2 1 372.351 2.599 20 30 FFEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCSCC2)c2cccs2)CC1 ZINC000104155199 728500692 /nfs/dbraw/zinc/50/06/92/728500692.db2.gz IADXICQQYUFLHY-HNNXBMFYSA-N 2 1 352.573 2.885 20 30 FFEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000261677353 729651683 /nfs/dbraw/zinc/65/16/83/729651683.db2.gz CSDXROSVCIUOQD-MRXNPFEDSA-N 2 1 350.576 2.798 20 30 FFEDMP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000263062303 729678023 /nfs/dbraw/zinc/67/80/23/729678023.db2.gz FQOXQERWLGEZHX-HZPDHXFCSA-N 2 1 363.303 2.512 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900975 732294566 /nfs/dbraw/zinc/29/45/66/732294566.db2.gz VVANWFZWNMGNRW-QYZOEREBSA-N 2 1 361.917 2.969 20 30 FFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040208677 742997839 /nfs/dbraw/zinc/99/78/39/742997839.db2.gz AVXTUMUYMKSEQZ-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040208677 742997846 /nfs/dbraw/zinc/99/78/46/742997846.db2.gz AVXTUMUYMKSEQZ-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208677 742997852 /nfs/dbraw/zinc/99/78/52/742997852.db2.gz AVXTUMUYMKSEQZ-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208677 742997854 /nfs/dbraw/zinc/99/78/54/742997854.db2.gz AVXTUMUYMKSEQZ-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP CN1CC[N@@H+](CCCNC(=[NH2+])N2CCCCCC2)[C@@H](c2ccccc2)C1 ZINC000305081349 1013105412 /nfs/dbraw/zinc/10/54/12/1013105412.db2.gz SILNKBCKJHPYRK-HXUWFJFHSA-N 2 1 357.546 2.556 20 30 FFEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])N2CCCCCC2)[C@@H](c2ccccc2)C1 ZINC000305081349 1013105423 /nfs/dbraw/zinc/10/54/23/1013105423.db2.gz SILNKBCKJHPYRK-HXUWFJFHSA-N 2 1 357.546 2.556 20 30 FFEDMP C[N@H+]1CCN(CCCNC(=[NH2+])N2CCCCCC2)[C@@H](c2ccccc2)C1 ZINC000305081349 1013105429 /nfs/dbraw/zinc/10/54/29/1013105429.db2.gz SILNKBCKJHPYRK-HXUWFJFHSA-N 2 1 357.546 2.556 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275870338 1013120669 /nfs/dbraw/zinc/12/06/69/1013120669.db2.gz DOSLELQUURZNLH-UHFFFAOYSA-N 2 1 373.463 2.905 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001104306281 962896137 /nfs/dbraw/zinc/89/61/37/962896137.db2.gz VHXNEAWJWYRERU-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001104306281 962896154 /nfs/dbraw/zinc/89/61/54/962896154.db2.gz VHXNEAWJWYRERU-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104353657 963843549 /nfs/dbraw/zinc/84/35/49/963843549.db2.gz CYMSQWOKWSWUCY-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175388017 1013466974 /nfs/dbraw/zinc/46/69/74/1013466974.db2.gz GEJGAMONTPCGKA-NRSPTQNISA-N 2 1 355.526 2.620 20 30 FFEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175390248 1013468584 /nfs/dbraw/zinc/46/85/84/1013468584.db2.gz XHXOFUOWAIDRKY-TYPHKJRUSA-N 2 1 355.526 2.620 20 30 FFEDMP C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837887 965594459 /nfs/dbraw/zinc/59/44/59/965594459.db2.gz MEVZEQJOWPFCCS-OAQYLSRUSA-N 2 1 355.526 2.911 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087236150 967469641 /nfs/dbraw/zinc/46/96/41/967469641.db2.gz JYPHULZCACJABK-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262453364 968175946 /nfs/dbraw/zinc/17/59/46/968175946.db2.gz KHPWOVGGAKCISW-AZUAARDMSA-N 2 1 364.493 2.937 20 30 FFEDMP C[C@@H]1CC(NC(=[NH2+])c2ccc(C(N)=O)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028939 970636945 /nfs/dbraw/zinc/63/69/45/970636945.db2.gz RPBDEEDHZYFJQX-NYTJIUQPSA-N 2 1 364.493 2.932 20 30 FFEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753780 970678159 /nfs/dbraw/zinc/67/81/59/970678159.db2.gz SKKQOWPLJBVOFV-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262445513 973277491 /nfs/dbraw/zinc/27/74/91/973277491.db2.gz QJHJWCZYXITQOW-IYWMVGAKSA-N 2 1 370.541 2.630 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262445513 973277505 /nfs/dbraw/zinc/27/75/05/973277505.db2.gz QJHJWCZYXITQOW-IYWMVGAKSA-N 2 1 370.541 2.630 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2ccccc2C#N)CC3)CC[N@H+]1C ZINC000990758697 976916644 /nfs/dbraw/zinc/91/66/44/976916644.db2.gz AZCKUPFPIWKKRP-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758697 976916658 /nfs/dbraw/zinc/91/66/58/976916658.db2.gz AZCKUPFPIWKKRP-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758697 976916664 /nfs/dbraw/zinc/91/66/64/976916664.db2.gz AZCKUPFPIWKKRP-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261768898 978102306 /nfs/dbraw/zinc/10/23/06/978102306.db2.gz NAQWJZRRYGQIHN-PGRDOPGGSA-N 2 1 354.542 2.884 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000968867551 1014603464 /nfs/dbraw/zinc/60/34/64/1014603464.db2.gz ZJOOOSMSBJKWJM-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC000968867551 1014603466 /nfs/dbraw/zinc/60/34/66/1014603466.db2.gz ZJOOOSMSBJKWJM-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC000968867551 1014603474 /nfs/dbraw/zinc/60/34/74/1014603474.db2.gz ZJOOOSMSBJKWJM-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605576 981422222 /nfs/dbraw/zinc/42/22/22/981422222.db2.gz XDMLENMLYGQCRD-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605576 981422230 /nfs/dbraw/zinc/42/22/30/981422230.db2.gz XDMLENMLYGQCRD-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605576 981422232 /nfs/dbraw/zinc/42/22/32/981422232.db2.gz XDMLENMLYGQCRD-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605576 981422235 /nfs/dbraw/zinc/42/22/35/981422235.db2.gz XDMLENMLYGQCRD-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621675 981965008 /nfs/dbraw/zinc/96/50/08/981965008.db2.gz NZAQNNARADQNNL-HJNYFJLDSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621675 981965016 /nfs/dbraw/zinc/96/50/16/981965016.db2.gz NZAQNNARADQNNL-HJNYFJLDSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621675 981965023 /nfs/dbraw/zinc/96/50/23/981965023.db2.gz NZAQNNARADQNNL-HJNYFJLDSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621675 981965030 /nfs/dbraw/zinc/96/50/30/981965030.db2.gz NZAQNNARADQNNL-HJNYFJLDSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995825027 984140999 /nfs/dbraw/zinc/14/09/99/984140999.db2.gz MNNHUECVYKYQNE-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424267 984525177 /nfs/dbraw/zinc/52/51/77/984525177.db2.gz FCLDOQLGGIECEH-NLWGTHIKSA-N 2 1 353.526 2.993 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107568042 984715574 /nfs/dbraw/zinc/71/55/74/984715574.db2.gz TVAYUNLGGMQIHQ-WIYYLYMNSA-N 2 1 356.514 2.781 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107568042 984715578 /nfs/dbraw/zinc/71/55/78/984715578.db2.gz TVAYUNLGGMQIHQ-WIYYLYMNSA-N 2 1 356.514 2.781 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[N@H+](C)CC)CCC[C@@H]12 ZINC001107606704 984786412 /nfs/dbraw/zinc/78/64/12/984786412.db2.gz GPGBNXIJCCUUDW-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)CC)CCC[C@@H]12 ZINC001107606704 984786417 /nfs/dbraw/zinc/78/64/17/984786417.db2.gz GPGBNXIJCCUUDW-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)CC)CCC[C@@H]12 ZINC001107606704 984786421 /nfs/dbraw/zinc/78/64/21/984786421.db2.gz GPGBNXIJCCUUDW-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000170913520 985173362 /nfs/dbraw/zinc/17/33/62/985173362.db2.gz JXYVIUIXNMUYBJ-UHFFFAOYSA-N 2 1 352.482 2.548 20 30 FFEDMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897553 985365107 /nfs/dbraw/zinc/36/51/07/985365107.db2.gz NJSKQUMBKMSYRK-OPYAIIAOSA-N 2 1 368.525 2.902 20 30 FFEDMP CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059461 986139237 /nfs/dbraw/zinc/13/92/37/986139237.db2.gz NDLSOAJAQGILST-JRGCBEDISA-N 2 1 371.500 2.631 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106149551 987275201 /nfs/dbraw/zinc/27/52/01/987275201.db2.gz OFZBKEBYSNBUQT-VNQPRFMTSA-N 2 1 352.910 2.833 20 30 FFEDMP C#CCN(C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330319 987444931 /nfs/dbraw/zinc/44/49/31/987444931.db2.gz PTZRXQMLIPXLDV-ICSRJNTNSA-N 2 1 368.525 2.561 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249304 987756350 /nfs/dbraw/zinc/75/63/50/987756350.db2.gz GDMWAHARJWUREA-QGPMSJSTSA-N 2 1 353.938 2.830 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335286 991073490 /nfs/dbraw/zinc/07/34/90/991073490.db2.gz KRZQWCWOZFBNKP-RBUKOAKNSA-N 2 1 362.514 2.627 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCC)C1 ZINC001079153781 991819686 /nfs/dbraw/zinc/81/96/86/991819686.db2.gz ZYGZFGSJWYOPHK-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCC)C1 ZINC001079153781 991819693 /nfs/dbraw/zinc/81/96/93/991819693.db2.gz ZYGZFGSJWYOPHK-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001485103334 991840903 /nfs/dbraw/zinc/84/09/03/991840903.db2.gz OKKIWDREIFCXTE-HXJFWZBSSA-N 2 1 355.526 2.782 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085196939 992702289 /nfs/dbraw/zinc/70/22/89/992702289.db2.gz VQBXEPKYTZBPSU-NJDAHSKKSA-N 2 1 368.525 2.948 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1 ZINC001080704882 993294701 /nfs/dbraw/zinc/29/47/01/993294701.db2.gz QGAICGADFDYNKC-DYESRHJHSA-N 2 1 368.525 2.615 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001082698683 995293859 /nfs/dbraw/zinc/29/38/59/995293859.db2.gz VCHAAZOLKNUECU-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[C@H]1CCC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844709693 998081298 /nfs/dbraw/zinc/08/12/98/998081298.db2.gz GWNDRGPIMMFFFQ-BVSLBCMMSA-N 2 1 365.521 2.660 20 30 FFEDMP C#CC[C@H]1CCC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844709693 998081310 /nfs/dbraw/zinc/08/13/10/998081310.db2.gz GWNDRGPIMMFFFQ-BVSLBCMMSA-N 2 1 365.521 2.660 20 30 FFEDMP C#CC[C@H]1CCC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844709693 998081321 /nfs/dbraw/zinc/08/13/21/998081321.db2.gz GWNDRGPIMMFFFQ-BVSLBCMMSA-N 2 1 365.521 2.660 20 30 FFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001171185137 998545557 /nfs/dbraw/zinc/54/55/57/998545557.db2.gz OPOWGPUSPHWCPK-INIZCTEOSA-N 2 1 372.513 2.807 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085217803 999185114 /nfs/dbraw/zinc/18/51/14/999185114.db2.gz RLFVDCJNLQXTQE-NJYVYQBISA-N 2 1 368.525 2.950 20 30 FFEDMP C=CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000745827834 999934245 /nfs/dbraw/zinc/93/42/45/999934245.db2.gz OCTMJDVGXGACDF-PMACEKPBSA-N 2 1 373.545 2.756 20 30 FFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643507 1000767197 /nfs/dbraw/zinc/76/71/97/1000767197.db2.gz LGPQWOBPNMKGLT-FUMNGEBKSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643507 1000767202 /nfs/dbraw/zinc/76/72/02/1000767202.db2.gz LGPQWOBPNMKGLT-FUMNGEBKSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109643507 1000767205 /nfs/dbraw/zinc/76/72/05/1000767205.db2.gz LGPQWOBPNMKGLT-FUMNGEBKSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109643507 1000767209 /nfs/dbraw/zinc/76/72/09/1000767209.db2.gz LGPQWOBPNMKGLT-FUMNGEBKSA-N 2 1 365.562 2.788 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736781 1001180947 /nfs/dbraw/zinc/18/09/47/1001180947.db2.gz BYCJRBMEGNFMEW-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736781 1001180951 /nfs/dbraw/zinc/18/09/51/1001180951.db2.gz BYCJRBMEGNFMEW-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736781 1001180954 /nfs/dbraw/zinc/18/09/54/1001180954.db2.gz BYCJRBMEGNFMEW-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736781 1001180957 /nfs/dbraw/zinc/18/09/57/1001180957.db2.gz BYCJRBMEGNFMEW-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013316 1002284720 /nfs/dbraw/zinc/28/47/20/1002284720.db2.gz MYIXMQROHFUKDD-UXPWSPDFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013316 1002284725 /nfs/dbraw/zinc/28/47/25/1002284725.db2.gz MYIXMQROHFUKDD-UXPWSPDFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013316 1002284734 /nfs/dbraw/zinc/28/47/34/1002284734.db2.gz MYIXMQROHFUKDD-UXPWSPDFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001186203467 1003222293 /nfs/dbraw/zinc/22/22/93/1003222293.db2.gz MIBWPXNXVRMZKG-UYAOXDASSA-N 2 1 361.505 2.874 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001186203467 1003222302 /nfs/dbraw/zinc/22/23/02/1003222302.db2.gz MIBWPXNXVRMZKG-UYAOXDASSA-N 2 1 361.505 2.874 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001186203467 1003222310 /nfs/dbraw/zinc/22/23/10/1003222310.db2.gz MIBWPXNXVRMZKG-UYAOXDASSA-N 2 1 361.505 2.874 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676601 1003403860 /nfs/dbraw/zinc/40/38/60/1003403860.db2.gz FNFWPDZSHRLPSM-QGPMSJSTSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676601 1003403869 /nfs/dbraw/zinc/40/38/69/1003403869.db2.gz FNFWPDZSHRLPSM-QGPMSJSTSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676601 1003403880 /nfs/dbraw/zinc/40/38/80/1003403880.db2.gz FNFWPDZSHRLPSM-QGPMSJSTSA-N 2 1 353.938 2.830 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298489 1004695932 /nfs/dbraw/zinc/69/59/32/1004695932.db2.gz GKHXGAZHEFDNHW-RTBURBONSA-N 2 1 367.578 2.771 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194298489 1004695936 /nfs/dbraw/zinc/69/59/36/1004695936.db2.gz GKHXGAZHEFDNHW-RTBURBONSA-N 2 1 367.578 2.771 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194298489 1004695940 /nfs/dbraw/zinc/69/59/40/1004695940.db2.gz GKHXGAZHEFDNHW-RTBURBONSA-N 2 1 367.578 2.771 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001488918854 1005380562 /nfs/dbraw/zinc/38/05/62/1005380562.db2.gz XYVFWPVTRIMHPB-CEWLAPEOSA-N 2 1 371.500 2.536 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001489048719 1005393204 /nfs/dbraw/zinc/39/32/04/1005393204.db2.gz KKJANZIUODZESD-QRQLOZEOSA-N 2 1 358.530 2.937 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086712262 1005967825 /nfs/dbraw/zinc/96/78/25/1005967825.db2.gz XTJZKFRNVOCCNS-HBMCJLEFSA-N 2 1 368.525 2.807 20 30 FFEDMP CCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000852861749 1006211583 /nfs/dbraw/zinc/21/15/83/1006211583.db2.gz IIMYUIAHCPUQMM-WIYYLYMNSA-N 2 1 353.510 2.673 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000852887497 1006221519 /nfs/dbraw/zinc/22/15/19/1006221519.db2.gz BBXJBUOVYPGHBS-VXKWHMMOSA-N 2 1 365.521 2.503 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189135889 1006920728 /nfs/dbraw/zinc/92/07/28/1006920728.db2.gz QSPLDPMGEQOETE-SQGPQFPESA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189135889 1006920736 /nfs/dbraw/zinc/92/07/36/1006920736.db2.gz QSPLDPMGEQOETE-SQGPQFPESA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799575 1009412374 /nfs/dbraw/zinc/41/23/74/1009412374.db2.gz ZKVPMPKYZYXDSH-ZSXHRAQDSA-N 2 1 365.481 2.957 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001093222778 1010165033 /nfs/dbraw/zinc/16/50/33/1010165033.db2.gz OUJHWJVJGBPHOA-DENIHFKCSA-N 2 1 367.537 2.524 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001093224189 1010166855 /nfs/dbraw/zinc/16/68/55/1010166855.db2.gz NEJPYPWARDVAMX-WIYYLYMNSA-N 2 1 359.558 2.596 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226218 1010170730 /nfs/dbraw/zinc/17/07/30/1010170730.db2.gz YQTUGLFEFGICBJ-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226218 1010170737 /nfs/dbraw/zinc/17/07/37/1010170737.db2.gz YQTUGLFEFGICBJ-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226218 1010170747 /nfs/dbraw/zinc/17/07/47/1010170747.db2.gz YQTUGLFEFGICBJ-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001274759815 1011635875 /nfs/dbraw/zinc/63/58/75/1011635875.db2.gz GPJZMSOCWWUMGT-AYOQOUSVSA-N 2 1 361.917 2.516 20 30 FFEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000303983299 1012551628 /nfs/dbraw/zinc/55/16/28/1012551628.db2.gz RAJJLFOPSDTCOV-VQIMIIECSA-N 2 1 373.545 2.869 20 30 FFEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000925003578 1017577970 /nfs/dbraw/zinc/57/79/70/1017577970.db2.gz WLICLZRRJWQHIP-QFBILLFUSA-N 2 1 356.514 2.802 20 30 FFEDMP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001097859887 1018041109 /nfs/dbraw/zinc/04/11/09/1018041109.db2.gz BKQAEKIWDKYJLY-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001097859887 1018041123 /nfs/dbraw/zinc/04/11/23/1018041123.db2.gz BKQAEKIWDKYJLY-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001097859887 1018041143 /nfs/dbraw/zinc/04/11/43/1018041143.db2.gz BKQAEKIWDKYJLY-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001097859887 1018041155 /nfs/dbraw/zinc/04/11/55/1018041155.db2.gz BKQAEKIWDKYJLY-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC000929583905 1019523290 /nfs/dbraw/zinc/52/32/90/1019523290.db2.gz GFODCHYVEPUZDO-UHFFFAOYSA-N 2 1 359.433 2.783 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001939 1021566914 /nfs/dbraw/zinc/56/69/14/1021566914.db2.gz NVZDHJOICMEFMY-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001939 1021566923 /nfs/dbraw/zinc/56/69/23/1021566923.db2.gz NVZDHJOICMEFMY-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C(#Cc1ccccc1)c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)s1 ZINC001222502028 1033015454 /nfs/dbraw/zinc/01/54/54/1033015454.db2.gz CLRVELDCAOCCJW-SFTDATJTSA-N 2 1 351.519 2.674 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099263417 1022185996 /nfs/dbraw/zinc/18/59/96/1022185996.db2.gz RVASTYWLLKQYNV-BZUAXINKSA-N 2 1 361.452 2.804 20 30 FFEDMP C#CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000757776898 1023858688 /nfs/dbraw/zinc/85/86/88/1023858688.db2.gz CVUNPUGDFYJTLZ-SFTDATJTSA-N 2 1 370.541 2.809 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121582943 1023863449 /nfs/dbraw/zinc/86/34/49/1023863449.db2.gz YVMHCLWXCHUUIX-QZTJIDSGSA-N 2 1 358.534 2.543 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121582943 1023863453 /nfs/dbraw/zinc/86/34/53/1023863453.db2.gz YVMHCLWXCHUUIX-QZTJIDSGSA-N 2 1 358.534 2.543 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103156777 1027011460 /nfs/dbraw/zinc/01/14/60/1027011460.db2.gz VWKBNWRIXKDARR-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103156777 1027011467 /nfs/dbraw/zinc/01/14/67/1027011467.db2.gz VWKBNWRIXKDARR-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103156777 1027011473 /nfs/dbraw/zinc/01/14/73/1027011473.db2.gz VWKBNWRIXKDARR-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001103407668 1027417307 /nfs/dbraw/zinc/41/73/07/1027417307.db2.gz OJMLPWYMQIJUBQ-DUXKGJEZSA-N 2 1 370.541 2.719 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495879 1027604616 /nfs/dbraw/zinc/60/46/16/1027604616.db2.gz XESGXRSMUYCDPP-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495879 1027604623 /nfs/dbraw/zinc/60/46/23/1027604623.db2.gz XESGXRSMUYCDPP-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495879 1027604633 /nfs/dbraw/zinc/60/46/33/1027604633.db2.gz XESGXRSMUYCDPP-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP N#Cc1c2c(cnc1N1C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C[NH2+]CCC2 ZINC001165090245 1029381141 /nfs/dbraw/zinc/38/11/41/1029381141.db2.gz XMLRVORPDDDEJC-PGRDOPGGSA-N 2 1 373.504 2.700 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001111949078 1029787327 /nfs/dbraw/zinc/78/73/27/1029787327.db2.gz MXFMLARMBMHDSJ-GMAHTHKFSA-N 2 1 367.537 2.741 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001112397097 1030740333 /nfs/dbraw/zinc/74/03/33/1030740333.db2.gz RVBQXVFROYHWBO-HBFSDRIKSA-N 2 1 367.965 2.935 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)C1 ZINC001205001710 1031484801 /nfs/dbraw/zinc/48/48/01/1031484801.db2.gz XDIAZSXNMNWJLM-QFIPXVFZSA-N 2 1 369.509 2.943 20 30 FFEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734051 1031582255 /nfs/dbraw/zinc/58/22/55/1031582255.db2.gz RHURYVKJCKDIOM-GUDVDZBRSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734051 1031582270 /nfs/dbraw/zinc/58/22/70/1031582270.db2.gz RHURYVKJCKDIOM-GUDVDZBRSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734051 1031582282 /nfs/dbraw/zinc/58/22/82/1031582282.db2.gz RHURYVKJCKDIOM-GUDVDZBRSA-N 2 1 353.551 2.504 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150353185 1031702807 /nfs/dbraw/zinc/70/28/07/1031702807.db2.gz CHMAACFLURGHIL-KRWDZBQOSA-N 2 1 365.905 2.634 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1F ZINC001205686059 1031936594 /nfs/dbraw/zinc/93/65/94/1031936594.db2.gz PVTDSLHFSPOUPE-CEWLAPEOSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)C[C@@H]21 ZINC001223527137 1033480687 /nfs/dbraw/zinc/48/06/87/1033480687.db2.gz NZQAJRWENRNVPU-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@@H]21 ZINC001223527137 1033480700 /nfs/dbraw/zinc/48/07/00/1033480700.db2.gz NZQAJRWENRNVPU-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]21 ZINC001223527137 1033480705 /nfs/dbraw/zinc/48/07/05/1033480705.db2.gz NZQAJRWENRNVPU-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]21 ZINC001223527137 1033480717 /nfs/dbraw/zinc/48/07/17/1033480717.db2.gz NZQAJRWENRNVPU-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001220600764 1034283279 /nfs/dbraw/zinc/28/32/79/1034283279.db2.gz ULBRAMBYGSBEGB-MSOLQXFVSA-N 2 1 350.551 2.857 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC001226842940 1034859182 /nfs/dbraw/zinc/85/91/82/1034859182.db2.gz BHETVFOZCLBWHG-GOSISDBHSA-N 2 1 356.514 2.725 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001226860676 1034866080 /nfs/dbraw/zinc/86/60/80/1034866080.db2.gz PFAZNWLRVLVINW-BWPHZTJHSA-N 2 1 365.521 2.814 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001226860676 1034866085 /nfs/dbraw/zinc/86/60/85/1034866085.db2.gz PFAZNWLRVLVINW-BWPHZTJHSA-N 2 1 365.521 2.814 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894862 1035140844 /nfs/dbraw/zinc/14/08/44/1035140844.db2.gz LQZPYHQMQDOURX-UYAOXDASSA-N 2 1 365.562 2.600 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277487881 1037475284 /nfs/dbraw/zinc/47/52/84/1037475284.db2.gz RVQPMXAJIRRVAV-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277487881 1037475295 /nfs/dbraw/zinc/47/52/95/1037475295.db2.gz RVQPMXAJIRRVAV-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001231656651 1037781793 /nfs/dbraw/zinc/78/17/93/1037781793.db2.gz CPOOPJMIZDBJEH-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C#Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001231656651 1037781806 /nfs/dbraw/zinc/78/18/06/1037781806.db2.gz CPOOPJMIZDBJEH-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C#Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001231656651 1037781818 /nfs/dbraw/zinc/78/18/18/1037781818.db2.gz CPOOPJMIZDBJEH-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C=CCOC[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001208107566 1038040725 /nfs/dbraw/zinc/04/07/25/1038040725.db2.gz PTBIGQDBBKATTE-GOSISDBHSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001208107566 1038040747 /nfs/dbraw/zinc/04/07/47/1038040747.db2.gz PTBIGQDBBKATTE-GOSISDBHSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246302153 1039304844 /nfs/dbraw/zinc/30/48/44/1039304844.db2.gz ASKYINVPGQHPEZ-QAPCUYQASA-N 2 1 352.425 2.639 20 30 FFEDMP N#C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246391304 1039336322 /nfs/dbraw/zinc/33/63/22/1039336322.db2.gz VQGIQAHULMSDAH-HOTGVXAUSA-N 2 1 366.431 2.604 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001252595939 1039606483 /nfs/dbraw/zinc/60/64/83/1039606483.db2.gz LTLVULZLHSJIFS-QGZVFWFLSA-N 2 1 350.528 2.742 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001252595939 1039606493 /nfs/dbraw/zinc/60/64/93/1039606493.db2.gz LTLVULZLHSJIFS-QGZVFWFLSA-N 2 1 350.528 2.742 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)c3C#N)C[C@H]2CC1 ZINC001278691927 1039912548 /nfs/dbraw/zinc/91/25/48/1039912548.db2.gz IJCJKQWYQHAEIK-CALCHBBNSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)C[C@H]2CC1 ZINC001278691927 1039912565 /nfs/dbraw/zinc/91/25/65/1039912565.db2.gz IJCJKQWYQHAEIK-CALCHBBNSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3C#N)C[C@H]2CC1 ZINC001278691927 1039912586 /nfs/dbraw/zinc/91/25/86/1039912586.db2.gz IJCJKQWYQHAEIK-CALCHBBNSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)C[C@H]2CC1 ZINC001278691927 1039912603 /nfs/dbraw/zinc/91/26/03/1039912603.db2.gz IJCJKQWYQHAEIK-CALCHBBNSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3C#N)C[C@H]2CC1 ZINC001278691927 1039912619 /nfs/dbraw/zinc/91/26/19/1039912619.db2.gz IJCJKQWYQHAEIK-CALCHBBNSA-N 2 1 360.933 2.917 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001213730656 1040850740 /nfs/dbraw/zinc/85/07/40/1040850740.db2.gz UMTXKBTVFWSTQK-IEBWSBKVSA-N 2 1 362.518 2.547 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001213730656 1040850765 /nfs/dbraw/zinc/85/07/65/1040850765.db2.gz UMTXKBTVFWSTQK-IEBWSBKVSA-N 2 1 362.518 2.547 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001214879468 1041604793 /nfs/dbraw/zinc/60/47/93/1041604793.db2.gz ZKNOHPLQRMSGJQ-SCJFJAFQSA-N 2 1 365.521 2.624 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001214879468 1041604800 /nfs/dbraw/zinc/60/48/00/1041604800.db2.gz ZKNOHPLQRMSGJQ-SCJFJAFQSA-N 2 1 365.521 2.624 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215544405 1041821956 /nfs/dbraw/zinc/82/19/56/1041821956.db2.gz SZUJOJQRMWELLK-GPMSIDNRSA-N 2 1 360.502 2.675 20 30 FFEDMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001264020343 1042585912 /nfs/dbraw/zinc/58/59/12/1042585912.db2.gz ZUJWJKLERUGPFQ-SLYNCCJLSA-N 2 1 370.541 2.774 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264038479 1042590499 /nfs/dbraw/zinc/59/04/99/1042590499.db2.gz JGSNYGFATRKXJM-NJYVYQBISA-N 2 1 355.526 2.570 20 30 FFEDMP C#CCCC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001279238532 1042960889 /nfs/dbraw/zinc/96/08/89/1042960889.db2.gz DAHBHMBHLBARCD-IRLDBZIGSA-N 2 1 357.542 2.589 20 30 FFEDMP Cc1ncc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001279419757 1043092492 /nfs/dbraw/zinc/09/24/92/1043092492.db2.gz SQVRMSOKYQODKR-UHFFFAOYSA-N 2 1 355.511 2.760 20 30 FFEDMP CCOC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278211534 1043635159 /nfs/dbraw/zinc/63/51/59/1043635159.db2.gz PLXZYVSANXSXOK-UHFFFAOYSA-N 2 1 358.530 3.000 20 30 FFEDMP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCCC(F)(F)F)C[C@H]12 ZINC001278253735 1043781848 /nfs/dbraw/zinc/78/18/48/1043781848.db2.gz LUFCNOJERLAJOU-HZPDHXFCSA-N 2 1 373.463 2.808 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001333214909 1048763253 /nfs/dbraw/zinc/76/32/53/1048763253.db2.gz JZMJFEOPFNJPCN-JENIJYKNSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001333214909 1048763260 /nfs/dbraw/zinc/76/32/60/1048763260.db2.gz JZMJFEOPFNJPCN-JENIJYKNSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC001333214909 1048763266 /nfs/dbraw/zinc/76/32/66/1048763266.db2.gz JZMJFEOPFNJPCN-JENIJYKNSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC001333214909 1048763275 /nfs/dbraw/zinc/76/32/75/1048763275.db2.gz JZMJFEOPFNJPCN-JENIJYKNSA-N 2 1 374.554 2.528 20 30 FFEDMP C=C[C@H](C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC001347045066 1053565814 /nfs/dbraw/zinc/56/58/14/1053565814.db2.gz WICIDKAMKYWTHB-NRFANRHFSA-N 2 1 355.526 2.975 20 30 FFEDMP C=C[C@H](C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC001347045066 1053565826 /nfs/dbraw/zinc/56/58/26/1053565826.db2.gz WICIDKAMKYWTHB-NRFANRHFSA-N 2 1 355.526 2.975 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001357158994 1055798632 /nfs/dbraw/zinc/79/86/32/1055798632.db2.gz GJANEAGUHSUZQN-SFHVURJKSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001357158994 1055798640 /nfs/dbraw/zinc/79/86/40/1055798640.db2.gz GJANEAGUHSUZQN-SFHVURJKSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001357158994 1055798644 /nfs/dbraw/zinc/79/86/44/1055798644.db2.gz GJANEAGUHSUZQN-SFHVURJKSA-N 2 1 374.577 2.974 20 30 FFEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001503208267 1058992929 /nfs/dbraw/zinc/99/29/29/1058992929.db2.gz HVQZEKSBHQYVHK-FRQCXROJSA-N 2 1 361.917 2.516 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073909 1060267517 /nfs/dbraw/zinc/26/75/17/1060267517.db2.gz WJDRIZVIDGAPAJ-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073909 1060267532 /nfs/dbraw/zinc/26/75/32/1060267532.db2.gz WJDRIZVIDGAPAJ-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073909 1060267553 /nfs/dbraw/zinc/26/75/53/1060267553.db2.gz WJDRIZVIDGAPAJ-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073909 1060267570 /nfs/dbraw/zinc/26/75/70/1060267570.db2.gz WJDRIZVIDGAPAJ-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479625550 1062639581 /nfs/dbraw/zinc/63/95/81/1062639581.db2.gz YAROEAMSZWPADW-NHCUHLMSSA-N 2 1 369.553 2.962 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479625550 1062639598 /nfs/dbraw/zinc/63/95/98/1062639598.db2.gz YAROEAMSZWPADW-NHCUHLMSSA-N 2 1 369.553 2.962 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479625550 1062639605 /nfs/dbraw/zinc/63/96/05/1062639605.db2.gz YAROEAMSZWPADW-NHCUHLMSSA-N 2 1 369.553 2.962 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N(C)CCC#N ZINC000112528190 508193972 /nfs/dbraw/zinc/19/39/72/508193972.db2.gz SHDRKJWOBZFINH-ROUUACIJSA-N 2 1 356.514 2.911 20 30 FFEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105294118 508369310 /nfs/dbraw/zinc/36/93/10/508369310.db2.gz VHUODODDRLUMMB-UHFFFAOYSA-N 2 1 371.529 2.506 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000152984476 508537454 /nfs/dbraw/zinc/53/74/54/508537454.db2.gz JOULZNOWRPTMFD-OAHLLOKOSA-N 2 1 360.458 2.942 20 30 FFEDMP N#CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000128088768 508545542 /nfs/dbraw/zinc/54/55/42/508545542.db2.gz BQTLLBMFNPELQV-QSRFUDQGSA-N 2 1 353.510 2.968 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244336 509400910 /nfs/dbraw/zinc/40/09/10/509400910.db2.gz AOGRQZQFRVDJTB-FQEVSTJZSA-N 2 1 359.489 2.947 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244336 509400914 /nfs/dbraw/zinc/40/09/14/509400914.db2.gz AOGRQZQFRVDJTB-FQEVSTJZSA-N 2 1 359.489 2.947 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267350102 509460824 /nfs/dbraw/zinc/46/08/24/509460824.db2.gz PFPJIROLIXJHIW-WIYYLYMNSA-N 2 1 370.541 2.847 20 30 FFEDMP C=CCOCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245623234 510044679 /nfs/dbraw/zinc/04/46/79/510044679.db2.gz BMHKPGDWAVEMTL-WOJBJXKFSA-N 2 1 365.562 2.765 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194148114 510238480 /nfs/dbraw/zinc/23/84/80/510238480.db2.gz VFTPDCHHCJDXQU-FQEVSTJZSA-N 2 1 370.541 2.848 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000246274307 510398927 /nfs/dbraw/zinc/39/89/27/510398927.db2.gz JGCHFXKCCZVBDM-GUDVDZBRSA-N 2 1 350.551 2.667 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000330031459 510903329 /nfs/dbraw/zinc/90/33/29/510903329.db2.gz UANISMCRPXVRJE-OAHLLOKOSA-N 2 1 356.474 2.544 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000330031459 510903330 /nfs/dbraw/zinc/90/33/30/510903330.db2.gz UANISMCRPXVRJE-OAHLLOKOSA-N 2 1 356.474 2.544 20 30 FFEDMP C[N@H+]1CCC[C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487142 511100471 /nfs/dbraw/zinc/10/04/71/511100471.db2.gz XQHHSFVTSNQDMX-QUCCMNQESA-N 2 1 364.497 2.775 20 30 FFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000362101441 511132107 /nfs/dbraw/zinc/13/21/07/511132107.db2.gz CQQRRBMUIZSRLZ-UHFFFAOYSA-N 2 1 366.509 2.636 20 30 FFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000362101441 511132111 /nfs/dbraw/zinc/13/21/11/511132111.db2.gz CQQRRBMUIZSRLZ-UHFFFAOYSA-N 2 1 366.509 2.636 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000362143093 511139501 /nfs/dbraw/zinc/13/95/01/511139501.db2.gz TVFASOCFLFPNNY-VQTJNVASSA-N 2 1 374.504 2.911 20 30 FFEDMP CCc1cccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000272876090 511510324 /nfs/dbraw/zinc/51/03/24/511510324.db2.gz HALXHDGROPVPDW-HXUWFJFHSA-N 2 1 352.482 2.742 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000281754822 511954712 /nfs/dbraw/zinc/95/47/12/511954712.db2.gz RFKBCPFBHINJRM-OAQYLSRUSA-N 2 1 365.477 2.813 20 30 FFEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293410796 511955777 /nfs/dbraw/zinc/95/57/77/511955777.db2.gz RYEMWVGMIAPMJF-UHFFFAOYSA-N 2 1 368.525 2.737 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000413231503 513534849 /nfs/dbraw/zinc/53/48/49/513534849.db2.gz FTZGGTVKGJFCOX-SFHVURJKSA-N 2 1 356.514 2.553 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000413231503 513534856 /nfs/dbraw/zinc/53/48/56/513534856.db2.gz FTZGGTVKGJFCOX-SFHVURJKSA-N 2 1 356.514 2.553 20 30 FFEDMP C=CCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000448392797 513749415 /nfs/dbraw/zinc/74/94/15/513749415.db2.gz ZLNCJOYPNLSBLB-UHFFFAOYSA-N 2 1 350.551 2.790 20 30 FFEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C#N)cc2F)c2cccs2)CC1 ZINC000532588732 517049446 /nfs/dbraw/zinc/04/94/46/517049446.db2.gz KVAXQOKGELTDOV-SFHVURJKSA-N 2 1 358.486 2.837 20 30 FFEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000521045308 517591904 /nfs/dbraw/zinc/59/19/04/517591904.db2.gz OCGMHTZWPQIWFT-UHFFFAOYSA-N 2 1 374.492 2.945 20 30 FFEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000580819892 519377075 /nfs/dbraw/zinc/37/70/75/519377075.db2.gz SVEUNQRIHJBIDT-UHFFFAOYSA-N 2 1 366.513 2.744 20 30 FFEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566241580 519386792 /nfs/dbraw/zinc/38/67/92/519386792.db2.gz FPGXPODCHXAYNL-QFBILLFUSA-N 2 1 360.465 2.601 20 30 FFEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566241580 519386793 /nfs/dbraw/zinc/38/67/93/519386793.db2.gz FPGXPODCHXAYNL-QFBILLFUSA-N 2 1 360.465 2.601 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000575185368 519544103 /nfs/dbraw/zinc/54/41/03/519544103.db2.gz XKZYKZQDRAWZJG-UHFFFAOYSA-N 2 1 358.442 2.543 20 30 FFEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600717616 520417822 /nfs/dbraw/zinc/41/78/22/520417822.db2.gz ROGFFDHHIPGYOM-NRFANRHFSA-N 2 1 371.525 2.620 20 30 FFEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC2)cs1 ZINC000598720558 520809475 /nfs/dbraw/zinc/80/94/75/520809475.db2.gz OZBUBPWYKDUYNR-KRWDZBQOSA-N 2 1 364.559 2.808 20 30 FFEDMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000596090397 520905421 /nfs/dbraw/zinc/90/54/21/520905421.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000596090397 520905428 /nfs/dbraw/zinc/90/54/28/520905428.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000596090397 520905438 /nfs/dbraw/zinc/90/54/38/520905438.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 2 1 366.513 2.559 20 30 FFEDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@H]21 ZINC000593724249 521176575 /nfs/dbraw/zinc/17/65/75/521176575.db2.gz BMUXBGPAEMBBPP-BHIFYINESA-N 3 1 352.526 2.985 20 30 FFEDMP CN1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@H]21 ZINC000593724249 521176585 /nfs/dbraw/zinc/17/65/85/521176585.db2.gz BMUXBGPAEMBBPP-BHIFYINESA-N 3 1 352.526 2.985 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000594303388 521548460 /nfs/dbraw/zinc/54/84/60/521548460.db2.gz AYHXQAALLJPHCU-QGZVFWFLSA-N 2 1 368.525 2.932 20 30 FFEDMP N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)o2)c1 ZINC000602847202 521567838 /nfs/dbraw/zinc/56/78/38/521567838.db2.gz ULIBKTIUSQHPDW-UHFFFAOYSA-N 2 1 360.421 2.716 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631065356 523349125 /nfs/dbraw/zinc/34/91/25/523349125.db2.gz TYRUZWVNPZTJGV-UHFFFAOYSA-N 2 1 373.541 2.528 20 30 FFEDMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(c2C#N)CCCC3)c2c1CC[NH2+]C2 ZINC001164680036 719652324 /nfs/dbraw/zinc/65/23/24/719652324.db2.gz CSNVPGIBOQTSCN-UHFFFAOYSA-N 2 1 364.497 2.504 20 30 FFEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(c2C#N)CCCC3)c2c1CC[NH2+]C2 ZINC001164680036 719652327 /nfs/dbraw/zinc/65/23/27/719652327.db2.gz CSNVPGIBOQTSCN-UHFFFAOYSA-N 2 1 364.497 2.504 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893996 728733829 /nfs/dbraw/zinc/73/38/29/728733829.db2.gz JTVAFEFGBLUVHY-NVXWUHKLSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893996 728733830 /nfs/dbraw/zinc/73/38/30/728733830.db2.gz JTVAFEFGBLUVHY-NVXWUHKLSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134893996 728733831 /nfs/dbraw/zinc/73/38/31/728733831.db2.gz JTVAFEFGBLUVHY-NVXWUHKLSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134893996 728733832 /nfs/dbraw/zinc/73/38/32/728733832.db2.gz JTVAFEFGBLUVHY-NVXWUHKLSA-N 2 1 358.511 2.897 20 30 FFEDMP CCOc1c(Cl)cc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000303895957 729735433 /nfs/dbraw/zinc/73/54/33/729735433.db2.gz UCBWRRTYNFJONE-AWEZNQCLSA-N 2 1 368.909 2.636 20 30 FFEDMP C[C@H](CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000304760497 729737165 /nfs/dbraw/zinc/73/71/65/729737165.db2.gz SMMWJLFPMSFZFH-CHWSQXEVSA-N 2 1 373.328 2.927 20 30 FFEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402129 740829298 /nfs/dbraw/zinc/82/92/98/740829298.db2.gz SVSQFQYGBPPUPX-OTWHNJEPSA-N 2 1 361.917 2.617 20 30 FFEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402129 740829301 /nfs/dbraw/zinc/82/93/01/740829301.db2.gz SVSQFQYGBPPUPX-OTWHNJEPSA-N 2 1 361.917 2.617 20 30 FFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402129 740829302 /nfs/dbraw/zinc/82/93/02/740829302.db2.gz SVSQFQYGBPPUPX-OTWHNJEPSA-N 2 1 361.917 2.617 20 30 FFEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402129 740829304 /nfs/dbraw/zinc/82/93/04/740829304.db2.gz SVSQFQYGBPPUPX-OTWHNJEPSA-N 2 1 361.917 2.617 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000392797157 845856517 /nfs/dbraw/zinc/85/65/17/845856517.db2.gz PMZKARBXDHCUKC-ZDUSSCGKSA-N 2 1 356.251 2.897 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000392797157 845856522 /nfs/dbraw/zinc/85/65/22/845856522.db2.gz PMZKARBXDHCUKC-ZDUSSCGKSA-N 2 1 356.251 2.897 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042037 971400260 /nfs/dbraw/zinc/40/02/60/971400260.db2.gz LWBRIIKWVVHNLE-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042037 971400263 /nfs/dbraw/zinc/40/02/63/971400263.db2.gz LWBRIIKWVVHNLE-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088021291 971890135 /nfs/dbraw/zinc/89/01/35/971890135.db2.gz DLYFSNDSIBVDOS-CVEARBPZSA-N 2 1 358.873 2.789 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088021291 971890146 /nfs/dbraw/zinc/89/01/46/971890146.db2.gz DLYFSNDSIBVDOS-CVEARBPZSA-N 2 1 358.873 2.789 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001112492794 962258978 /nfs/dbraw/zinc/25/89/78/962258978.db2.gz HPGWORKBQXYGHK-UGKGYDQZSA-N 2 1 359.558 2.883 20 30 FFEDMP CC(C)C[N@@H+](C[C@H](O)COc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC001175601523 1013508424 /nfs/dbraw/zinc/50/84/24/1013508424.db2.gz NTAKLRBQMUSHNL-FQEVSTJZSA-N 2 1 359.514 2.598 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001087467702 965127227 /nfs/dbraw/zinc/12/72/27/965127227.db2.gz KUGQJEMLRHVAGX-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087467702 965127237 /nfs/dbraw/zinc/12/72/37/965127237.db2.gz KUGQJEMLRHVAGX-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087467702 965127247 /nfs/dbraw/zinc/12/72/47/965127247.db2.gz KUGQJEMLRHVAGX-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087467702 965127256 /nfs/dbraw/zinc/12/72/56/965127256.db2.gz KUGQJEMLRHVAGX-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262002131 965212854 /nfs/dbraw/zinc/21/28/54/965212854.db2.gz UQZYKAVSKZDNDB-MBOWVQHQSA-N 2 1 352.526 2.610 20 30 FFEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCc2ccccc21 ZINC001176453367 1013706458 /nfs/dbraw/zinc/70/64/58/1013706458.db2.gz SPKSMZUVEGJXCA-QFIPXVFZSA-N 2 1 367.537 2.988 20 30 FFEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCc2ccccc21 ZINC001176453367 1013706462 /nfs/dbraw/zinc/70/64/62/1013706462.db2.gz SPKSMZUVEGJXCA-QFIPXVFZSA-N 2 1 367.537 2.988 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087235991 967457781 /nfs/dbraw/zinc/45/77/81/967457781.db2.gz CPOQUPSVLSDIEG-QMMLZNLJSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793465 967502519 /nfs/dbraw/zinc/50/25/19/967502519.db2.gz DZPUBKCUBWAEPC-JENIJYKNSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793465 967502535 /nfs/dbraw/zinc/50/25/35/967502535.db2.gz DZPUBKCUBWAEPC-JENIJYKNSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793465 967502543 /nfs/dbraw/zinc/50/25/43/967502543.db2.gz DZPUBKCUBWAEPC-JENIJYKNSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793465 967502551 /nfs/dbraw/zinc/50/25/51/967502551.db2.gz DZPUBKCUBWAEPC-JENIJYKNSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793465 967502560 /nfs/dbraw/zinc/50/25/60/967502560.db2.gz DZPUBKCUBWAEPC-JENIJYKNSA-N 2 1 365.949 2.926 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001023371771 967754162 /nfs/dbraw/zinc/75/41/62/967754162.db2.gz FBKZGCWIKFXJJL-QHAWAJNXSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087577946 968222742 /nfs/dbraw/zinc/22/27/42/968222742.db2.gz RXQLSHVFVDKWLG-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087577946 968222747 /nfs/dbraw/zinc/22/27/47/968222747.db2.gz RXQLSHVFVDKWLG-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001087577946 968222758 /nfs/dbraw/zinc/22/27/58/968222758.db2.gz RXQLSHVFVDKWLG-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1ccc(F)c(C#N)c1 ZINC001087577946 968222763 /nfs/dbraw/zinc/22/27/63/968222763.db2.gz RXQLSHVFVDKWLG-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087684439 968598547 /nfs/dbraw/zinc/59/85/47/968598547.db2.gz YHLNSVAVRILPOX-VQTJNVASSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC#Cc2ccccc2)CC[N@@H+]1C ZINC001024448302 968918045 /nfs/dbraw/zinc/91/80/45/968918045.db2.gz IQZQGTWLTIKYDQ-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC#Cc2ccccc2)CC[N@H+]1C ZINC001024448302 968918054 /nfs/dbraw/zinc/91/80/54/968918054.db2.gz IQZQGTWLTIKYDQ-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001024448302 968918061 /nfs/dbraw/zinc/91/80/61/968918061.db2.gz IQZQGTWLTIKYDQ-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001024448302 968918070 /nfs/dbraw/zinc/91/80/70/968918070.db2.gz IQZQGTWLTIKYDQ-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595385 969898093 /nfs/dbraw/zinc/89/80/93/969898093.db2.gz RGVSLJLCJSXINL-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000262453368 973310555 /nfs/dbraw/zinc/31/05/55/973310555.db2.gz KHPWOVGGAKCISW-QUCCMNQESA-N 2 1 364.493 2.937 20 30 FFEDMP C[NH+](C)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)Cc2ccccc2C1 ZINC000262545456 974243365 /nfs/dbraw/zinc/24/33/65/974243365.db2.gz UVYWNMDFBJZIJI-IBGZPJMESA-N 2 1 364.493 2.514 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676595 974991745 /nfs/dbraw/zinc/99/17/45/974991745.db2.gz OFMXVGLUHHNEGL-VQTJNVASSA-N 2 1 355.526 2.572 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088792124 976305420 /nfs/dbraw/zinc/30/54/20/976305420.db2.gz WMZSMNVGPAWMCC-APWZRJJASA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876725211 1014364802 /nfs/dbraw/zinc/36/48/02/1014364802.db2.gz OTPQCMAFMDBFJS-OXJNMPFZSA-N 2 1 354.498 2.516 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087441378 977487041 /nfs/dbraw/zinc/48/70/41/977487041.db2.gz DNUNPJWDXBVWMM-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087441378 977487046 /nfs/dbraw/zinc/48/70/46/977487046.db2.gz DNUNPJWDXBVWMM-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087441378 977487049 /nfs/dbraw/zinc/48/70/49/977487049.db2.gz DNUNPJWDXBVWMM-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(Cl)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443490 977589434 /nfs/dbraw/zinc/58/94/34/977589434.db2.gz OMHQPQSJHAVNDT-GUDVDZBRSA-N 2 1 361.917 2.665 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087456714 977855011 /nfs/dbraw/zinc/85/50/11/977855011.db2.gz MYRQXSRVNFDILC-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087456714 977855016 /nfs/dbraw/zinc/85/50/16/977855016.db2.gz MYRQXSRVNFDILC-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCS[C@H](C(C)C)C1 ZINC000261850138 978502998 /nfs/dbraw/zinc/50/29/98/978502998.db2.gz XWMPMJGQGMTGIB-KRWDZBQOSA-N 2 1 372.542 2.725 20 30 FFEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001029920197 979817099 /nfs/dbraw/zinc/81/70/99/979817099.db2.gz QJPISQNQVLAJOP-FDFHNCONSA-N 2 1 367.537 2.843 20 30 FFEDMP C#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001029920197 979817104 /nfs/dbraw/zinc/81/71/04/979817104.db2.gz QJPISQNQVLAJOP-FDFHNCONSA-N 2 1 367.537 2.843 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001029920197 979817109 /nfs/dbraw/zinc/81/71/09/979817109.db2.gz QJPISQNQVLAJOP-FDFHNCONSA-N 2 1 367.537 2.843 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001029920197 979817116 /nfs/dbraw/zinc/81/71/16/979817116.db2.gz QJPISQNQVLAJOP-FDFHNCONSA-N 2 1 367.537 2.843 20 30 FFEDMP C#CCC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920212 979817156 /nfs/dbraw/zinc/81/71/56/979817156.db2.gz QSSPGJDGEJTXOW-CEMLEFRQSA-N 2 1 367.537 2.843 20 30 FFEDMP C#CCC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029920212 979817165 /nfs/dbraw/zinc/81/71/65/979817165.db2.gz QSSPGJDGEJTXOW-CEMLEFRQSA-N 2 1 367.537 2.843 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029920212 979817171 /nfs/dbraw/zinc/81/71/71/979817171.db2.gz QSSPGJDGEJTXOW-CEMLEFRQSA-N 2 1 367.537 2.843 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645974 1014660114 /nfs/dbraw/zinc/66/01/14/1014660114.db2.gz ZBWNKQDAFGREJA-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645974 1014660124 /nfs/dbraw/zinc/66/01/24/1014660124.db2.gz ZBWNKQDAFGREJA-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645974 1014660132 /nfs/dbraw/zinc/66/01/32/1014660132.db2.gz ZBWNKQDAFGREJA-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645974 1014660152 /nfs/dbraw/zinc/66/01/52/1014660152.db2.gz ZBWNKQDAFGREJA-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)CC[NH+]1C ZINC001088578088 981287886 /nfs/dbraw/zinc/28/78/86/981287886.db2.gz FVNXSUSJNPGCAY-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]2C)CC[NH+]1C ZINC001088578088 981287889 /nfs/dbraw/zinc/28/78/89/981287889.db2.gz FVNXSUSJNPGCAY-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3cccc(Cl)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088578088 981287893 /nfs/dbraw/zinc/28/78/93/981287893.db2.gz FVNXSUSJNPGCAY-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3cccc(Cl)c3)[C@@H]2C)CC[N@H+]1C ZINC001088578088 981287895 /nfs/dbraw/zinc/28/78/95/981287895.db2.gz FVNXSUSJNPGCAY-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCC1 ZINC001105544110 982393841 /nfs/dbraw/zinc/39/38/41/982393841.db2.gz ARZHSUCGMWRSIC-LMMKCTJWSA-N 2 1 354.498 2.678 20 30 FFEDMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001107598548 984775714 /nfs/dbraw/zinc/77/57/14/984775714.db2.gz ILJMLEOIZOIZNE-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107598548 984775721 /nfs/dbraw/zinc/77/57/21/984775721.db2.gz ILJMLEOIZOIZNE-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107598548 984775726 /nfs/dbraw/zinc/77/57/26/984775726.db2.gz ILJMLEOIZOIZNE-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952295 985395753 /nfs/dbraw/zinc/39/57/53/985395753.db2.gz ACZIYULMKPJPIM-ZVDOUQERSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952295 985395764 /nfs/dbraw/zinc/39/57/64/985395764.db2.gz ACZIYULMKPJPIM-ZVDOUQERSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952295 985395768 /nfs/dbraw/zinc/39/57/68/985395768.db2.gz ACZIYULMKPJPIM-ZVDOUQERSA-N 2 1 367.578 2.894 20 30 FFEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000172246297 985499386 /nfs/dbraw/zinc/49/93/86/985499386.db2.gz GAEFTBVXQNAJQW-OAQYLSRUSA-N 2 1 353.510 2.598 20 30 FFEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000172246297 985499394 /nfs/dbraw/zinc/49/93/94/985499394.db2.gz GAEFTBVXQNAJQW-OAQYLSRUSA-N 2 1 353.510 2.598 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1F ZINC000888359998 985516783 /nfs/dbraw/zinc/51/67/83/985516783.db2.gz WALMXLUUHASZMK-MRXNPFEDSA-N 2 1 361.465 2.577 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403817 986152091 /nfs/dbraw/zinc/15/20/91/986152091.db2.gz WQBPZLCTQAQVDS-XUVXKRRUSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403817 986152100 /nfs/dbraw/zinc/15/21/00/986152100.db2.gz WQBPZLCTQAQVDS-XUVXKRRUSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403817 986152105 /nfs/dbraw/zinc/15/21/05/986152105.db2.gz WQBPZLCTQAQVDS-XUVXKRRUSA-N 2 1 365.562 2.811 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001034649757 990152878 /nfs/dbraw/zinc/15/28/78/990152878.db2.gz TVCPSRFFEQOIJQ-XSDIEEQYSA-N 2 1 368.525 2.806 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335284 991074160 /nfs/dbraw/zinc/07/41/60/991074160.db2.gz KRZQWCWOZFBNKP-OALUTQOASA-N 2 1 362.514 2.627 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341498 991082414 /nfs/dbraw/zinc/08/24/14/991082414.db2.gz LIJQKRHXHBXOJP-QZTJIDSGSA-N 2 1 368.506 2.692 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341498 991082441 /nfs/dbraw/zinc/08/24/41/991082441.db2.gz LIJQKRHXHBXOJP-QZTJIDSGSA-N 2 1 368.506 2.692 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923566991 991254773 /nfs/dbraw/zinc/25/47/73/991254773.db2.gz VREBVPDNAJHEKG-FQEVSTJZSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923566991 991254785 /nfs/dbraw/zinc/25/47/85/991254785.db2.gz VREBVPDNAJHEKG-FQEVSTJZSA-N 2 1 353.510 2.503 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079318525 991992682 /nfs/dbraw/zinc/99/26/82/991992682.db2.gz JAPLUYLMEVBILG-IMFGXOCKSA-N 2 1 359.489 2.628 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050524 992275569 /nfs/dbraw/zinc/27/55/69/992275569.db2.gz WTJYIOYZMBKPJG-QHAWAJNXSA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050524 992275582 /nfs/dbraw/zinc/27/55/82/992275582.db2.gz WTJYIOYZMBKPJG-QHAWAJNXSA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050524 992275592 /nfs/dbraw/zinc/27/55/92/992275592.db2.gz WTJYIOYZMBKPJG-QHAWAJNXSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1c1ccccc1 ZINC001081137565 993693329 /nfs/dbraw/zinc/69/33/29/993693329.db2.gz DJBMNMMFPQOQSL-LEWJYISDSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1ccccc1 ZINC001081170778 993717661 /nfs/dbraw/zinc/71/76/61/993717661.db2.gz NZTKRJOHVCXODM-HLAWJBBLSA-N 2 1 364.493 2.524 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082612315 995088321 /nfs/dbraw/zinc/08/83/21/995088321.db2.gz HBCCOTQKXWIKJL-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000730105771 996854106 /nfs/dbraw/zinc/85/41/06/996854106.db2.gz PEICCIYPXBLCIM-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000730105771 996854117 /nfs/dbraw/zinc/85/41/17/996854117.db2.gz PEICCIYPXBLCIM-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000730105771 996854131 /nfs/dbraw/zinc/85/41/31/996854131.db2.gz PEICCIYPXBLCIM-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000730105771 996854142 /nfs/dbraw/zinc/85/41/42/996854142.db2.gz PEICCIYPXBLCIM-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874793 997529665 /nfs/dbraw/zinc/52/96/65/997529665.db2.gz RIWUVEGWFFYTHH-LEWJYISDSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCC4=CCCCC4)C[C@H]32)CC1 ZINC001084851083 997643575 /nfs/dbraw/zinc/64/35/75/997643575.db2.gz MGSUZKDIWJNCRT-FGZHOGPDSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC3=CCCCC3)[C@H]2C1 ZINC001084960975 998387708 /nfs/dbraw/zinc/38/77/08/998387708.db2.gz CJJKYZZVDOUJBD-FSSWDIPSSA-N 2 1 369.553 2.897 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC3=CCCCC3)[C@H]2C1 ZINC001084960975 998387716 /nfs/dbraw/zinc/38/77/16/998387716.db2.gz CJJKYZZVDOUJBD-FSSWDIPSSA-N 2 1 369.553 2.897 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3=CCCCC3)[C@H]2C1 ZINC001084960975 998387723 /nfs/dbraw/zinc/38/77/23/998387723.db2.gz CJJKYZZVDOUJBD-FSSWDIPSSA-N 2 1 369.553 2.897 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3=CCCCC3)[C@H]2C1 ZINC001084960975 998387731 /nfs/dbraw/zinc/38/77/31/998387731.db2.gz CJJKYZZVDOUJBD-FSSWDIPSSA-N 2 1 369.553 2.897 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018715 998687856 /nfs/dbraw/zinc/68/78/56/998687856.db2.gz MDUJXINVIRDAEC-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018715 998687859 /nfs/dbraw/zinc/68/78/59/998687859.db2.gz MDUJXINVIRDAEC-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085330819 999374305 /nfs/dbraw/zinc/37/43/05/999374305.db2.gz DEQKPDNTGRKCEE-USXIJHARSA-N 2 1 350.894 2.523 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085432553 999517988 /nfs/dbraw/zinc/51/79/88/999517988.db2.gz DXFGAPFGAUIBDO-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484585 999942213 /nfs/dbraw/zinc/94/22/13/999942213.db2.gz FHTQEIPRDZENNS-OWYHZJEWSA-N 2 1 361.917 2.569 20 30 FFEDMP CCCC[C@H](ON=C(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000767865889 1000153269 /nfs/dbraw/zinc/15/32/69/1000153269.db2.gz JOJHQXAGEMCGGU-SFHVURJKSA-N 2 1 361.490 2.743 20 30 FFEDMP Cc1nccn1-c1cc(NC2(C#N)CCN(Cc3ccccc3)CC2)ncn1 ZINC001171274469 1000637357 /nfs/dbraw/zinc/63/73/57/1000637357.db2.gz JQASJOMOSBYDHA-UHFFFAOYSA-N 2 1 373.464 2.941 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719741 1000906727 /nfs/dbraw/zinc/90/67/27/1000906727.db2.gz NWLCDVARGZFOJE-AYBZRNKSSA-N 2 1 358.486 2.572 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719741 1000906738 /nfs/dbraw/zinc/90/67/38/1000906738.db2.gz NWLCDVARGZFOJE-AYBZRNKSSA-N 2 1 358.486 2.572 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000793365591 1003344303 /nfs/dbraw/zinc/34/43/03/1003344303.db2.gz IUEBHJFDZNVCNE-UHFFFAOYSA-N 2 1 351.450 2.815 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001086620144 1003557483 /nfs/dbraw/zinc/55/74/83/1003557483.db2.gz ZZERGCFDWZGSLU-VQTJNVASSA-N 2 1 364.493 2.922 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086620144 1003557489 /nfs/dbraw/zinc/55/74/89/1003557489.db2.gz ZZERGCFDWZGSLU-VQTJNVASSA-N 2 1 364.493 2.922 20 30 FFEDMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170530194 1004659370 /nfs/dbraw/zinc/65/93/70/1004659370.db2.gz VHRCFZJLXHFIIL-WTGUMLROSA-N 2 1 355.482 2.972 20 30 FFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000817286661 1007510700 /nfs/dbraw/zinc/51/07/00/1007510700.db2.gz XEEPHWDYQIYXAL-UHFFFAOYSA-N 2 1 356.514 2.581 20 30 FFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001190229857 1007515026 /nfs/dbraw/zinc/51/50/26/1007515026.db2.gz PDLPRWZFYVOZHJ-CEXWTWQISA-N 2 1 356.514 2.653 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857132933 1008066426 /nfs/dbraw/zinc/06/64/26/1008066426.db2.gz BICZOBMASYNXQX-HXUWFJFHSA-N 2 1 353.510 2.713 20 30 FFEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886313989 1008635069 /nfs/dbraw/zinc/63/50/69/1008635069.db2.gz JBFWIBVOOOIERX-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886313989 1008635081 /nfs/dbraw/zinc/63/50/81/1008635081.db2.gz JBFWIBVOOOIERX-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP C[C@]12C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000886313989 1008635088 /nfs/dbraw/zinc/63/50/88/1008635088.db2.gz JBFWIBVOOOIERX-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP C[C@]12C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000886313989 1008635093 /nfs/dbraw/zinc/63/50/93/1008635093.db2.gz JBFWIBVOOOIERX-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426190 1008675641 /nfs/dbraw/zinc/67/56/41/1008675641.db2.gz MFFUWOLMNOWBRT-UHFFFAOYSA-N 2 1 360.502 2.687 20 30 FFEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426190 1008675648 /nfs/dbraw/zinc/67/56/48/1008675648.db2.gz MFFUWOLMNOWBRT-UHFFFAOYSA-N 2 1 360.502 2.687 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799574 1009412925 /nfs/dbraw/zinc/41/29/25/1009412925.db2.gz ZKVPMPKYZYXDSH-QOJCHSLYSA-N 2 1 365.481 2.957 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110822092 1009874838 /nfs/dbraw/zinc/87/48/38/1009874838.db2.gz ZELCGLXXLPYGMO-CIWUYKSXSA-N 2 1 356.514 2.838 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001110822092 1009874847 /nfs/dbraw/zinc/87/48/47/1009874847.db2.gz ZELCGLXXLPYGMO-CIWUYKSXSA-N 2 1 356.514 2.838 20 30 FFEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000104156840 1009928802 /nfs/dbraw/zinc/92/88/02/1009928802.db2.gz NBEASEWYFQSHLC-UHFFFAOYSA-N 2 1 364.493 2.934 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001093830820 1010602468 /nfs/dbraw/zinc/60/24/68/1010602468.db2.gz UBSXRFOCSQWFKV-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001093830820 1010602475 /nfs/dbraw/zinc/60/24/75/1010602475.db2.gz UBSXRFOCSQWFKV-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001093832818 1010603797 /nfs/dbraw/zinc/60/37/97/1010603797.db2.gz BDLZTRYUJBRZMK-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001093832818 1010603803 /nfs/dbraw/zinc/60/38/03/1010603803.db2.gz BDLZTRYUJBRZMK-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093835823 1010606404 /nfs/dbraw/zinc/60/64/04/1010606404.db2.gz LDBZRCINRXSXBQ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001172168659 1011678528 /nfs/dbraw/zinc/67/85/28/1011678528.db2.gz CBOFFJOSAZBSCO-XRXFAXGQSA-N 2 1 366.509 2.784 20 30 FFEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275119801 1011971304 /nfs/dbraw/zinc/97/13/04/1011971304.db2.gz XJGIGRUYTKLPHA-HXUWFJFHSA-N 2 1 353.551 2.602 20 30 FFEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173109073 1012255614 /nfs/dbraw/zinc/25/56/14/1012255614.db2.gz FKXROXXIKZHFIW-FAFZWHIHSA-N 2 1 361.534 2.570 20 30 FFEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173109073 1012255629 /nfs/dbraw/zinc/25/56/29/1012255629.db2.gz FKXROXXIKZHFIW-FAFZWHIHSA-N 2 1 361.534 2.570 20 30 FFEDMP C=CCCCCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275337112 1012326385 /nfs/dbraw/zinc/32/63/85/1012326385.db2.gz NQIANBLEFNGOLD-NRFANRHFSA-N 2 1 365.562 2.626 20 30 FFEDMP CN(C)C(NCc1ccccc1C[NH+]1CCOCC1)=[NH+]Cc1ccccc1 ZINC000303789977 1012431685 /nfs/dbraw/zinc/43/16/85/1012431685.db2.gz WANYPXUFJAEGQW-UHFFFAOYSA-N 2 1 366.509 2.726 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000303896375 1012506324 /nfs/dbraw/zinc/50/63/24/1012506324.db2.gz PZFYNQVXOQWRNZ-GHTZIAJQSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000303896375 1012506339 /nfs/dbraw/zinc/50/63/39/1012506339.db2.gz PZFYNQVXOQWRNZ-GHTZIAJQSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000303896375 1012506356 /nfs/dbraw/zinc/50/63/56/1012506356.db2.gz PZFYNQVXOQWRNZ-GHTZIAJQSA-N 3 1 371.573 2.807 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303904078 1012513027 /nfs/dbraw/zinc/51/30/27/1012513027.db2.gz URGWWQUMHMWZNB-IYBDPMFKSA-N 2 1 360.502 2.943 20 30 FFEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC001173429010 1012590297 /nfs/dbraw/zinc/59/02/97/1012590297.db2.gz PYOJBAKWUDHOBZ-DYESRHJHSA-N 2 1 368.525 2.871 20 30 FFEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000924575714 1017359613 /nfs/dbraw/zinc/35/96/13/1017359613.db2.gz MNTZDUVRNFVLGV-MRXNPFEDSA-N 2 1 364.534 2.990 20 30 FFEDMP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001097860915 1018040366 /nfs/dbraw/zinc/04/03/66/1018040366.db2.gz UQMNUYKLXZRVQU-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001097860915 1018040379 /nfs/dbraw/zinc/04/03/79/1018040379.db2.gz UQMNUYKLXZRVQU-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001097860915 1018040391 /nfs/dbraw/zinc/04/03/91/1018040391.db2.gz UQMNUYKLXZRVQU-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001097860915 1018040403 /nfs/dbraw/zinc/04/04/03/1018040403.db2.gz UQMNUYKLXZRVQU-AQNXPRMDSA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901156363 1018776209 /nfs/dbraw/zinc/77/62/09/1018776209.db2.gz WQKOZEQHTSVQOP-LJQANCHMSA-N 2 1 367.497 2.777 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C)cc2)CC1 ZINC001098463009 1020931257 /nfs/dbraw/zinc/93/12/57/1020931257.db2.gz YNMARIAHHXMGFR-VSKRKVRLSA-N 2 1 365.521 2.562 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934072888 1021134461 /nfs/dbraw/zinc/13/44/61/1021134461.db2.gz HOTSKXBEJTXODA-UHFFFAOYSA-N 2 1 358.490 2.771 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260613 1022182368 /nfs/dbraw/zinc/18/23/68/1022182368.db2.gz RRZAQAFURLOFHJ-MGPQQGTHSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260613 1022182375 /nfs/dbraw/zinc/18/23/75/1022182375.db2.gz RRZAQAFURLOFHJ-MGPQQGTHSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099345600 1022336717 /nfs/dbraw/zinc/33/67/17/1022336717.db2.gz KFCQXFHVJHISQG-BRWVUGGUSA-N 2 1 369.431 2.844 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001111262399 1022792672 /nfs/dbraw/zinc/79/26/72/1022792672.db2.gz OHXMEXWZCXUAFF-YSTOQKLRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001111262399 1022792682 /nfs/dbraw/zinc/79/26/82/1022792682.db2.gz OHXMEXWZCXUAFF-YSTOQKLRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001111262399 1022792692 /nfs/dbraw/zinc/79/26/92/1022792692.db2.gz OHXMEXWZCXUAFF-YSTOQKLRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001276302133 1024293052 /nfs/dbraw/zinc/29/30/52/1024293052.db2.gz KZXGASDCQCZYIY-IFMALSPDSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCN1CC[C@@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001276302133 1024293067 /nfs/dbraw/zinc/29/30/67/1024293067.db2.gz KZXGASDCQCZYIY-IFMALSPDSA-N 2 1 353.510 2.619 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483943 1024863047 /nfs/dbraw/zinc/86/30/47/1024863047.db2.gz QDVIZAQJRGVBIW-MJGOQNOKSA-N 2 1 353.938 2.785 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483943 1024863066 /nfs/dbraw/zinc/86/30/66/1024863066.db2.gz QDVIZAQJRGVBIW-MJGOQNOKSA-N 2 1 353.938 2.785 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223024136 1033247449 /nfs/dbraw/zinc/24/74/49/1033247449.db2.gz SIYQIPIQPJSGLE-UXHICEINSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223024136 1033247464 /nfs/dbraw/zinc/24/74/64/1033247464.db2.gz SIYQIPIQPJSGLE-UXHICEINSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223024136 1033247476 /nfs/dbraw/zinc/24/74/76/1033247476.db2.gz SIYQIPIQPJSGLE-UXHICEINSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214709 1025596361 /nfs/dbraw/zinc/59/63/61/1025596361.db2.gz AVYPRGOPZFJIFU-TZIWHRDSSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375674 1025846674 /nfs/dbraw/zinc/84/66/74/1025846674.db2.gz WSFZZSWOFXPTSX-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375674 1025846689 /nfs/dbraw/zinc/84/66/89/1025846689.db2.gz WSFZZSWOFXPTSX-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375674 1025846702 /nfs/dbraw/zinc/84/67/02/1025846702.db2.gz WSFZZSWOFXPTSX-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174151 1027031731 /nfs/dbraw/zinc/03/17/31/1027031731.db2.gz BSBVZANCAGAMNH-NXHRZFHOSA-N 2 1 355.954 2.934 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174151 1027031737 /nfs/dbraw/zinc/03/17/37/1027031737.db2.gz BSBVZANCAGAMNH-NXHRZFHOSA-N 2 1 355.954 2.934 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174151 1027031744 /nfs/dbraw/zinc/03/17/44/1027031744.db2.gz BSBVZANCAGAMNH-NXHRZFHOSA-N 2 1 355.954 2.934 20 30 FFEDMP CN1CC[NH+](Cc2cccc(Nc3sc4c(c3C#N)CC[NH2+]C4)c2)CC1 ZINC001159160036 1027290501 /nfs/dbraw/zinc/29/05/01/1027290501.db2.gz WHIPEXTYISDBKS-UHFFFAOYSA-N 2 1 367.522 2.756 20 30 FFEDMP C#C[C@](C)([NH3+])C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001160684625 1027803810 /nfs/dbraw/zinc/80/38/10/1027803810.db2.gz XAGKQHYOPUXSNH-GMAHTHKFSA-N 2 1 361.489 2.640 20 30 FFEDMP C#C[C@](C)([NH3+])C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684625 1027803823 /nfs/dbraw/zinc/80/38/23/1027803823.db2.gz XAGKQHYOPUXSNH-GMAHTHKFSA-N 2 1 361.489 2.640 20 30 FFEDMP C#CC[C@]1(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)CCC[NH2+]1 ZINC001160956544 1027947055 /nfs/dbraw/zinc/94/70/55/1027947055.db2.gz KGTQTULGIFQZHG-RCZSKKKRSA-N 2 1 353.510 2.501 20 30 FFEDMP C=C(Cl)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817156 1028669595 /nfs/dbraw/zinc/66/95/95/1028669595.db2.gz ONEWSTBKIJBDFB-IEBWSBKVSA-N 2 1 363.933 2.740 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC#Cc1ccccc1)C2 ZINC001111949803 1029790662 /nfs/dbraw/zinc/79/06/62/1029790662.db2.gz UJVSOBVPNMZBDX-GMAHTHKFSA-N 2 1 367.537 2.741 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001111949803 1029790665 /nfs/dbraw/zinc/79/06/65/1029790665.db2.gz UJVSOBVPNMZBDX-GMAHTHKFSA-N 2 1 367.537 2.741 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001111949803 1029790670 /nfs/dbraw/zinc/79/06/70/1029790670.db2.gz UJVSOBVPNMZBDX-GMAHTHKFSA-N 2 1 367.537 2.741 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC/C=C/CC)C3)CC1 ZINC001112004174 1029852433 /nfs/dbraw/zinc/85/24/33/1029852433.db2.gz ODFIILPTTOBCLN-MTADBNSWSA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC/C=C\CC)C1 ZINC001112404062 1030752866 /nfs/dbraw/zinc/75/28/66/1030752866.db2.gz DOCKUUAFGUINAZ-PWEJWMJCSA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC/C=C\CC)C1 ZINC001112404062 1030752884 /nfs/dbraw/zinc/75/28/84/1030752884.db2.gz DOCKUUAFGUINAZ-PWEJWMJCSA-N 2 1 357.542 2.659 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001112441377 1030817305 /nfs/dbraw/zinc/81/73/05/1030817305.db2.gz WLWAJOALQIRRKX-AVRDEDQJSA-N 2 1 359.558 2.881 20 30 FFEDMP CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204270143 1031196870 /nfs/dbraw/zinc/19/68/70/1031196870.db2.gz QDZHYQFMAUYUNZ-UHFFFAOYSA-N 2 1 373.497 2.686 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415322 1031727285 /nfs/dbraw/zinc/72/72/85/1031727285.db2.gz OIHXAVJIAYJTCM-PCCBWWKXSA-N 2 1 371.500 2.607 20 30 FFEDMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001235324674 1037477821 /nfs/dbraw/zinc/47/78/21/1037477821.db2.gz JXIMGSYPFRPNKZ-SIKLNZKXSA-N 2 1 367.493 2.703 20 30 FFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3CC#N)C2)C1 ZINC001235513390 1037597552 /nfs/dbraw/zinc/59/75/52/1037597552.db2.gz IHHUYESOHSHINQ-FGZHOGPDSA-N 2 1 353.510 2.933 20 30 FFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235513390 1037597563 /nfs/dbraw/zinc/59/75/63/1037597563.db2.gz IHHUYESOHSHINQ-FGZHOGPDSA-N 2 1 353.510 2.933 20 30 FFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235513390 1037597573 /nfs/dbraw/zinc/59/75/73/1037597573.db2.gz IHHUYESOHSHINQ-FGZHOGPDSA-N 2 1 353.510 2.933 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011384 /nfs/dbraw/zinc/01/13/84/1038011384.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011408 /nfs/dbraw/zinc/01/14/08/1038011408.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011426 /nfs/dbraw/zinc/01/14/26/1038011426.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011448 /nfs/dbraw/zinc/01/14/48/1038011448.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011469 /nfs/dbraw/zinc/01/14/69/1038011469.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C=CCCCC[N@H+]1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001209201330 1038713242 /nfs/dbraw/zinc/71/32/42/1038713242.db2.gz YGEDRORNROQNLA-NRFANRHFSA-N 2 1 373.545 2.818 20 30 FFEDMP C=CCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001209201330 1038713249 /nfs/dbraw/zinc/71/32/49/1038713249.db2.gz YGEDRORNROQNLA-NRFANRHFSA-N 2 1 373.545 2.818 20 30 FFEDMP C=CCCCCCCC[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209440559 1038866208 /nfs/dbraw/zinc/86/62/08/1038866208.db2.gz FNDUUUFMGRUFBH-WOJBJXKFSA-N 2 1 365.562 2.624 20 30 FFEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209440559 1038866238 /nfs/dbraw/zinc/86/62/38/1038866238.db2.gz FNDUUUFMGRUFBH-WOJBJXKFSA-N 2 1 365.562 2.624 20 30 FFEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209440559 1038866258 /nfs/dbraw/zinc/86/62/58/1038866258.db2.gz FNDUUUFMGRUFBH-WOJBJXKFSA-N 2 1 365.562 2.624 20 30 FFEDMP C=CCn1cc2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2n1 ZINC001209590146 1039028282 /nfs/dbraw/zinc/02/82/82/1039028282.db2.gz GYQVIJFGVXQGCR-INIZCTEOSA-N 2 1 372.517 2.616 20 30 FFEDMP C=CCn1cc2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2n1 ZINC001209590146 1039028302 /nfs/dbraw/zinc/02/83/02/1039028302.db2.gz GYQVIJFGVXQGCR-INIZCTEOSA-N 2 1 372.517 2.616 20 30 FFEDMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246198101 1039274709 /nfs/dbraw/zinc/27/47/09/1039274709.db2.gz CNFOZJYZKGUBTJ-TUNPWDSISA-N 2 1 355.482 2.715 20 30 FFEDMP Cn1cccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278519316 1040877630 /nfs/dbraw/zinc/87/76/30/1040877630.db2.gz XGQWISGUTKBCMP-KDURUIRLSA-N 2 1 351.498 2.579 20 30 FFEDMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001278588427 1041283620 /nfs/dbraw/zinc/28/36/20/1041283620.db2.gz XPNUQWMIODABDJ-UHFFFAOYSA-N 2 1 357.498 2.857 20 30 FFEDMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001278588427 1041283636 /nfs/dbraw/zinc/28/36/36/1041283636.db2.gz XPNUQWMIODABDJ-UHFFFAOYSA-N 2 1 357.498 2.857 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001263903044 1042521743 /nfs/dbraw/zinc/52/17/43/1042521743.db2.gz FZMAEYGUHAXSCR-BDTNDASRSA-N 2 1 367.537 2.787 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001264062181 1042606544 /nfs/dbraw/zinc/60/65/44/1042606544.db2.gz VIYRKHVCPWDNSB-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001264062181 1042606545 /nfs/dbraw/zinc/60/65/45/1042606545.db2.gz VIYRKHVCPWDNSB-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4nccs4)C[C@H]3CC2)cc1C#N ZINC001279348250 1043017961 /nfs/dbraw/zinc/01/79/61/1043017961.db2.gz PRNKKBJYWWUUCC-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4nccs4)C[C@H]3CC2)cc1C#N ZINC001279348250 1043017963 /nfs/dbraw/zinc/01/79/63/1043017963.db2.gz PRNKKBJYWWUUCC-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4nccs4)C[C@H]3CC2)cc1C#N ZINC001279348250 1043017967 /nfs/dbraw/zinc/01/79/67/1043017967.db2.gz PRNKKBJYWWUUCC-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC001237462663 1043181210 /nfs/dbraw/zinc/18/12/10/1043181210.db2.gz IRHRUCVPOAVYOW-LJQANCHMSA-N 2 1 366.465 2.802 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001279605215 1043330587 /nfs/dbraw/zinc/33/05/87/1043330587.db2.gz ZAABTGDFYOTMCQ-QFIPXVFZSA-N 2 1 357.542 2.970 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1C)CC2 ZINC001279697325 1043486645 /nfs/dbraw/zinc/48/66/45/1043486645.db2.gz UVDSZHHTQSNMEV-UHFFFAOYSA-N 2 1 357.498 2.775 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1C)CC2 ZINC001279697325 1043486653 /nfs/dbraw/zinc/48/66/53/1043486653.db2.gz UVDSZHHTQSNMEV-UHFFFAOYSA-N 2 1 357.498 2.775 20 30 FFEDMP C=CCO[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC=C)C3)c2)C1 ZINC001328001827 1048131004 /nfs/dbraw/zinc/13/10/04/1048131004.db2.gz RMFCWGXFKWQJGG-SFTDATJTSA-N 2 1 357.498 2.635 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC#Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001329826233 1048928102 /nfs/dbraw/zinc/92/81/02/1048928102.db2.gz XJXCETDBMBAAQS-TZIWHRDSSA-N 2 1 367.537 2.787 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339719744 1050151608 /nfs/dbraw/zinc/15/16/08/1050151608.db2.gz NBPXKEKIZMSBAZ-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP N#Cc1c(F)cc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001357166033 1055802156 /nfs/dbraw/zinc/80/21/56/1055802156.db2.gz KAAMDCPBEJIHLT-HXUWFJFHSA-N 2 1 357.404 2.563 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC001353313124 1056288064 /nfs/dbraw/zinc/28/80/64/1056288064.db2.gz CRBSRSSYIHAUGE-RBBKRZOGSA-N 2 1 356.510 2.519 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001515295943 1059510964 /nfs/dbraw/zinc/51/09/64/1059510964.db2.gz LXUUMDSESJZTDP-BZSNNMDCSA-N 2 1 360.550 2.787 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001468831732 1064046378 /nfs/dbraw/zinc/04/63/78/1064046378.db2.gz REOKYSSQYDOKMQ-IEBWSBKVSA-N 2 1 356.514 2.513 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001468831732 1064046386 /nfs/dbraw/zinc/04/63/86/1064046386.db2.gz REOKYSSQYDOKMQ-IEBWSBKVSA-N 2 1 356.514 2.513 20 30 FFEDMP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001574836745 1078087083 /nfs/dbraw/zinc/08/70/83/1078087083.db2.gz SFGGJYNVFDFJIF-IRXDYDNUSA-N 2 1 369.517 2.564 20 30 FFEDMP C=CC1(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C[NH2+]C1 ZINC001574879569 1078089959 /nfs/dbraw/zinc/08/99/59/1078089959.db2.gz FJTPKVQMRHZSCH-HDICACEKSA-N 2 1 355.526 2.946 20 30 FFEDMP C=CCN(c1nnc(C2CC[NH2+]CC2)n1CC[N@H+](C)[C@H](C)CC)C1CC1 ZINC001574935217 1078094770 /nfs/dbraw/zinc/09/47/70/1078094770.db2.gz CPBONNYYUXRCJP-MRXNPFEDSA-N 2 1 360.550 2.630 20 30 FFEDMP C=CCN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC001574935224 1078094827 /nfs/dbraw/zinc/09/48/27/1078094827.db2.gz DARSESPCPKNCII-OKZBNKHCSA-N 2 1 372.561 2.758 20 30 FFEDMP COC(=O)c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1C#N ZINC001578874504 1078538285 /nfs/dbraw/zinc/53/82/85/1078538285.db2.gz DAZHFBBORVIIKU-INIZCTEOSA-N 2 1 355.482 2.947 20 30 FFEDMP N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001559943659 1076204286 /nfs/dbraw/zinc/20/42/86/1076204286.db2.gz JGHAQRKAHQYCOI-UHFFFAOYSA-N 2 1 369.856 2.757 20 30 FFEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001559943659 1076204289 /nfs/dbraw/zinc/20/42/89/1076204289.db2.gz JGHAQRKAHQYCOI-UHFFFAOYSA-N 2 1 369.856 2.757 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001565897943 1076787809 /nfs/dbraw/zinc/78/78/09/1076787809.db2.gz DYHMHTXMHSUSNJ-BHDDXSALSA-N 2 1 367.537 2.787 20 30 FFEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)[C@@H]1CC ZINC001566026952 1076862730 /nfs/dbraw/zinc/86/27/30/1076862730.db2.gz NTILQJDQHJSRNM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)[C@@H]1CC ZINC001566026952 1076862735 /nfs/dbraw/zinc/86/27/35/1076862735.db2.gz NTILQJDQHJSRNM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1CC ZINC001566026952 1076862737 /nfs/dbraw/zinc/86/27/37/1076862737.db2.gz NTILQJDQHJSRNM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1CC ZINC001566026952 1076862742 /nfs/dbraw/zinc/86/27/42/1076862742.db2.gz NTILQJDQHJSRNM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H]1CCCC[N@@H+]1CCCC ZINC001574485095 1078000206 /nfs/dbraw/zinc/00/02/06/1078000206.db2.gz APEGQHIJLKJFOZ-YRXWBPOGSA-N 2 1 372.561 2.595 20 30 FFEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000116792724 508562403 /nfs/dbraw/zinc/56/24/03/508562403.db2.gz JSIDNVXAOOOADQ-JOCHJYFZSA-N 2 1 368.525 2.639 20 30 FFEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000116792724 508562405 /nfs/dbraw/zinc/56/24/05/508562405.db2.gz JSIDNVXAOOOADQ-JOCHJYFZSA-N 2 1 368.525 2.639 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158775247 508751164 /nfs/dbraw/zinc/75/11/64/508751164.db2.gz YBRNIJYILWHHLF-CTNGQTDRSA-N 2 1 368.525 2.966 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159012071 508781051 /nfs/dbraw/zinc/78/10/51/508781051.db2.gz MHJAFZNRDPWVPJ-MOPGFXCFSA-N 2 1 362.562 2.971 20 30 FFEDMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1C#N ZINC000174247118 510023397 /nfs/dbraw/zinc/02/33/97/510023397.db2.gz CSRRIRDMQWMZEX-UHFFFAOYSA-N 2 1 351.450 2.689 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000171739509 510340736 /nfs/dbraw/zinc/34/07/36/510340736.db2.gz BXRGCIKLAHJPOT-UHFFFAOYSA-N 2 1 374.504 2.693 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000171739509 510340742 /nfs/dbraw/zinc/34/07/42/510340742.db2.gz BXRGCIKLAHJPOT-UHFFFAOYSA-N 2 1 374.504 2.693 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184743308 510494994 /nfs/dbraw/zinc/49/49/94/510494994.db2.gz NMWGPSDFZDRMAW-HMFYCAOWSA-N 2 1 370.541 2.787 20 30 FFEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329909718 510875275 /nfs/dbraw/zinc/87/52/75/510875275.db2.gz MRZUHCSVCTYALI-IAGOWNOFSA-N 2 1 361.534 2.850 20 30 FFEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329909718 510875278 /nfs/dbraw/zinc/87/52/78/510875278.db2.gz MRZUHCSVCTYALI-IAGOWNOFSA-N 2 1 361.534 2.850 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000330009343 510900016 /nfs/dbraw/zinc/90/00/16/510900016.db2.gz GFEPRFDEJPQHOL-KRWDZBQOSA-N 2 1 372.517 2.895 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000330009343 510900023 /nfs/dbraw/zinc/90/00/23/510900023.db2.gz GFEPRFDEJPQHOL-KRWDZBQOSA-N 2 1 372.517 2.895 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000330291317 510958541 /nfs/dbraw/zinc/95/85/41/510958541.db2.gz GKIGOUWIHLNGMH-AWEZNQCLSA-N 2 1 358.490 2.649 20 30 FFEDMP CCc1cccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000272876082 511510981 /nfs/dbraw/zinc/51/09/81/511510981.db2.gz HALXHDGROPVPDW-FQEVSTJZSA-N 2 1 352.482 2.742 20 30 FFEDMP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)o1 ZINC000329221362 512007248 /nfs/dbraw/zinc/00/72/48/512007248.db2.gz URRZOPMHKCXFGL-DLBZAZTESA-N 2 1 363.506 2.798 20 30 FFEDMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329518282 512062123 /nfs/dbraw/zinc/06/21/23/512062123.db2.gz DZFQSQRYFVYXSG-IXDOHACOSA-N 2 1 373.545 2.826 20 30 FFEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329518282 512062127 /nfs/dbraw/zinc/06/21/27/512062127.db2.gz DZFQSQRYFVYXSG-IXDOHACOSA-N 2 1 373.545 2.826 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C#N)CCCC1 ZINC000374206308 512707830 /nfs/dbraw/zinc/70/78/30/512707830.db2.gz DFXKKZLQAKWFNL-UHFFFAOYSA-N 2 1 360.546 2.725 20 30 FFEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370706067 513063558 /nfs/dbraw/zinc/06/35/58/513063558.db2.gz AEZSOAXYTIPGHT-KNQAVFIVSA-N 2 1 355.526 2.547 20 30 FFEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370706067 513063561 /nfs/dbraw/zinc/06/35/61/513063561.db2.gz AEZSOAXYTIPGHT-KNQAVFIVSA-N 2 1 355.526 2.547 20 30 FFEDMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1)C1CCOCC1 ZINC000442778155 513778175 /nfs/dbraw/zinc/77/81/75/513778175.db2.gz KBODDLZMCYOKGO-MJGOQNOKSA-N 2 1 357.498 2.958 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540455 513818820 /nfs/dbraw/zinc/81/88/20/513818820.db2.gz WWEACOMQLHZQEJ-WIYYLYMNSA-N 2 1 368.525 2.885 20 30 FFEDMP N#Cc1ccc(CN2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000423191288 514075669 /nfs/dbraw/zinc/07/56/69/514075669.db2.gz SRFXWDQJFVVJMI-UHFFFAOYSA-N 2 1 363.509 2.687 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(OC(F)F)c1 ZINC000437157993 514102250 /nfs/dbraw/zinc/10/22/50/514102250.db2.gz YVYHESMFALEOSW-UHFFFAOYSA-N 2 1 365.424 2.704 20 30 FFEDMP CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424132121 514393026 /nfs/dbraw/zinc/39/30/26/514393026.db2.gz KJJGXUOTHWFNLZ-WOJBJXKFSA-N 2 1 356.514 2.911 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000499631263 515393912 /nfs/dbraw/zinc/39/39/12/515393912.db2.gz BBSQRROYLCRFCI-MOPGFXCFSA-N 2 1 351.535 2.814 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000493790658 515664130 /nfs/dbraw/zinc/66/41/30/515664130.db2.gz QPOIKERLKBVLRH-RXVVDRJESA-N 2 1 370.541 2.989 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000469583426 515878944 /nfs/dbraw/zinc/87/89/44/515878944.db2.gz UFUFPBNULCQMPD-GOSISDBHSA-N 2 1 368.525 2.781 20 30 FFEDMP CC[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827785 /nfs/dbraw/zinc/82/77/85/516827785.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827793 /nfs/dbraw/zinc/82/77/93/516827793.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827802 /nfs/dbraw/zinc/82/78/02/516827802.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)C3CCCCC3)CC2)CC1 ZINC000518997464 516849252 /nfs/dbraw/zinc/84/92/52/516849252.db2.gz XSJGNASHMCVRMD-FQEVSTJZSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000539145396 517932488 /nfs/dbraw/zinc/93/24/88/517932488.db2.gz KINLTCUROASZLY-HDICACEKSA-N 2 1 351.535 2.907 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000539145396 517932495 /nfs/dbraw/zinc/93/24/95/517932495.db2.gz KINLTCUROASZLY-HDICACEKSA-N 2 1 351.535 2.907 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000594436714 519963524 /nfs/dbraw/zinc/96/35/24/519963524.db2.gz PZBSUQTZSVXFIB-HXUWFJFHSA-N 2 1 356.514 2.565 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000594436710 519964874 /nfs/dbraw/zinc/96/48/74/519964874.db2.gz PZBSUQTZSVXFIB-FQEVSTJZSA-N 2 1 356.514 2.565 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000592507290 520427025 /nfs/dbraw/zinc/42/70/25/520427025.db2.gz RYRBFKZSEQCQJX-FXAWDEMLSA-N 2 1 356.514 2.772 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1)CC1CC1 ZINC000611303656 521090587 /nfs/dbraw/zinc/09/05/87/521090587.db2.gz ILLCMJWGDBMVJE-NRFANRHFSA-N 2 1 360.546 2.629 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599660313 521372469 /nfs/dbraw/zinc/37/24/69/521372469.db2.gz MYTDEPIMYHRYOE-HXUWFJFHSA-N 2 1 350.466 2.668 20 30 FFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599660313 521372477 /nfs/dbraw/zinc/37/24/77/521372477.db2.gz MYTDEPIMYHRYOE-HXUWFJFHSA-N 2 1 350.466 2.668 20 30 FFEDMP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602535999 521400228 /nfs/dbraw/zinc/40/02/28/521400228.db2.gz VDNBFYRFEKMGEN-UXHICEINSA-N 2 1 356.514 2.767 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594548 521429483 /nfs/dbraw/zinc/42/94/83/521429483.db2.gz YTPBLKAQZPZVPD-VQTJNVASSA-N 2 1 356.514 2.959 20 30 FFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602596958 521430610 /nfs/dbraw/zinc/43/06/10/521430610.db2.gz OMQBSCRJCMFZLK-NQIIRXRSSA-N 2 1 371.525 2.832 20 30 FFEDMP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000597129083 521524976 /nfs/dbraw/zinc/52/49/76/521524976.db2.gz MIBUZFHLWNMJFH-NRFANRHFSA-N 2 1 352.526 2.842 20 30 FFEDMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000121616769 728633035 /nfs/dbraw/zinc/63/30/35/728633035.db2.gz NEDLINMMWRHZKA-UHFFFAOYSA-N 2 1 360.527 2.904 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262025679 729657723 /nfs/dbraw/zinc/65/77/23/729657723.db2.gz NFIRFMDTMCIQRQ-JKIFEVAISA-N 2 1 368.884 2.555 20 30 FFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1ccccc1Br ZINC000262589415 729668821 /nfs/dbraw/zinc/66/88/21/729668821.db2.gz UJCFVTNSRXSOQW-UHFFFAOYSA-N 2 1 364.291 2.661 20 30 FFEDMP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262844857 729672401 /nfs/dbraw/zinc/67/24/01/729672401.db2.gz YFLOWYMHRVBIJV-GFCCVEGCSA-N 2 1 363.918 2.851 20 30 FFEDMP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262844857 729672403 /nfs/dbraw/zinc/67/24/03/729672403.db2.gz YFLOWYMHRVBIJV-GFCCVEGCSA-N 2 1 363.918 2.851 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1C(F)(F)F ZINC000303990065 729736491 /nfs/dbraw/zinc/73/64/91/729736491.db2.gz YCWVWHQNSUHDAC-ZDUSSCGKSA-N 2 1 358.408 2.603 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)c(OC)c2)no1 ZINC000872179205 731738402 /nfs/dbraw/zinc/73/84/02/731738402.db2.gz YZWBGCFWCYUHFF-ZDUSSCGKSA-N 2 1 366.849 2.828 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)c(OC)c2)no1 ZINC000872179202 731738424 /nfs/dbraw/zinc/73/84/24/731738424.db2.gz YZWBGCFWCYUHFF-CYBMUJFWSA-N 2 1 366.849 2.828 20 30 FFEDMP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000879250240 732672420 /nfs/dbraw/zinc/67/24/20/732672420.db2.gz QFVWKBBXEAIARF-MRXNPFEDSA-N 2 1 358.511 2.533 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000799177825 740397161 /nfs/dbraw/zinc/39/71/61/740397161.db2.gz FYXNRRRVJLWZOF-UHFFFAOYSA-N 2 1 360.889 2.958 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001104793556 970835848 /nfs/dbraw/zinc/83/58/48/970835848.db2.gz BSVBAOLTJLLKCB-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001105064482 971437631 /nfs/dbraw/zinc/43/76/31/971437631.db2.gz QSNFOJIMJMCIRY-HZPDHXFCSA-N 2 1 362.543 2.534 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]2C1 ZINC001088052418 972014532 /nfs/dbraw/zinc/01/45/32/972014532.db2.gz PXMHMPMXJGZTQM-UXHICEINSA-N 2 1 355.526 2.761 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001112472941 959097383 /nfs/dbraw/zinc/09/73/83/959097383.db2.gz PFXHRBMFXJOWIZ-AVRDEDQJSA-N 2 1 370.541 2.946 20 30 FFEDMP C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101752 965777033 /nfs/dbraw/zinc/77/70/33/965777033.db2.gz LWOHQSAOIFZJOW-CBGDNZLLSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087212772 966579999 /nfs/dbraw/zinc/57/99/99/966579999.db2.gz PLAWCQRCOANMBD-LQWHRVPQSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2C#N)CC[N@@H+]1C ZINC001024448269 968918222 /nfs/dbraw/zinc/91/82/22/968918222.db2.gz HJFXDJRANNEAKI-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2C#N)CC[N@H+]1C ZINC001024448269 968918230 /nfs/dbraw/zinc/91/82/30/968918230.db2.gz HJFXDJRANNEAKI-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC001024448269 968918239 /nfs/dbraw/zinc/91/82/39/968918239.db2.gz HJFXDJRANNEAKI-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC001024448269 968918262 /nfs/dbraw/zinc/91/82/62/968918262.db2.gz HJFXDJRANNEAKI-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001104676509 970085037 /nfs/dbraw/zinc/08/50/37/970085037.db2.gz NJCNKFPVFHIOHD-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129280 972973578 /nfs/dbraw/zinc/97/35/78/972973578.db2.gz GIFLPIBUDVJXFT-KSZLIROESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129280 972973586 /nfs/dbraw/zinc/97/35/86/972973586.db2.gz GIFLPIBUDVJXFT-KSZLIROESA-N 2 1 353.938 2.784 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)CC1 ZINC001088212093 973669419 /nfs/dbraw/zinc/66/94/19/973669419.db2.gz PFIQFFWEKQHIIJ-RTWAWAEBSA-N 2 1 371.569 2.548 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797630 974097450 /nfs/dbraw/zinc/09/74/50/974097450.db2.gz MTFWVHJMKSBJGS-JAXLGGSGSA-N 2 1 369.509 2.788 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797630 974097458 /nfs/dbraw/zinc/09/74/58/974097458.db2.gz MTFWVHJMKSBJGS-JAXLGGSGSA-N 2 1 369.509 2.788 20 30 FFEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961369383 1014174172 /nfs/dbraw/zinc/17/41/72/1014174172.db2.gz XSKVQOLAEDGKGA-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369383 1014174178 /nfs/dbraw/zinc/17/41/78/1014174178.db2.gz XSKVQOLAEDGKGA-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369383 1014174183 /nfs/dbraw/zinc/17/41/83/1014174183.db2.gz XSKVQOLAEDGKGA-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088810933 976646394 /nfs/dbraw/zinc/64/63/94/976646394.db2.gz BTWYEYFVFZBMIY-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088810933 976646400 /nfs/dbraw/zinc/64/64/00/976646400.db2.gz BTWYEYFVFZBMIY-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088810933 976646406 /nfs/dbraw/zinc/64/64/06/976646406.db2.gz BTWYEYFVFZBMIY-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443446 977588747 /nfs/dbraw/zinc/58/87/47/977588747.db2.gz MUZUDMLGJVFOFQ-PWRODBHTSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443446 977588752 /nfs/dbraw/zinc/58/87/52/977588752.db2.gz MUZUDMLGJVFOFQ-PWRODBHTSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443446 977588755 /nfs/dbraw/zinc/58/87/55/977588755.db2.gz MUZUDMLGJVFOFQ-PWRODBHTSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001087458231 977923679 /nfs/dbraw/zinc/92/36/79/977923679.db2.gz QZNBXTLZDHCMTF-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087458231 977923689 /nfs/dbraw/zinc/92/36/89/977923689.db2.gz QZNBXTLZDHCMTF-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087458231 977923694 /nfs/dbraw/zinc/92/36/94/977923694.db2.gz QZNBXTLZDHCMTF-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087458231 977923702 /nfs/dbraw/zinc/92/37/02/977923702.db2.gz QZNBXTLZDHCMTF-PWIZWCRZSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1C ZINC001088631237 982046021 /nfs/dbraw/zinc/04/60/21/982046021.db2.gz ZZRXTIUAZPPTEF-UXPWSPDFSA-N 2 1 365.477 2.609 20 30 FFEDMP CO[C@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000878046475 1014833982 /nfs/dbraw/zinc/83/39/82/1014833982.db2.gz AMNRWCXPUQGMAF-SFTDATJTSA-N 2 1 357.498 2.780 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCN(C)c3cc[nH+]cc3)CCC[C@@H]12 ZINC001107457580 984561921 /nfs/dbraw/zinc/56/19/21/984561921.db2.gz DMKYVZRYWJWSIP-TZIWHRDSSA-N 2 1 356.514 2.845 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473097 984579718 /nfs/dbraw/zinc/57/97/18/984579718.db2.gz AJGNECSXAKNUSW-TZIWHRDSSA-N 2 1 356.514 2.699 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473097 984579721 /nfs/dbraw/zinc/57/97/21/984579721.db2.gz AJGNECSXAKNUSW-TZIWHRDSSA-N 2 1 356.514 2.699 20 30 FFEDMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001107522474 984622836 /nfs/dbraw/zinc/62/28/36/984622836.db2.gz CSOXDLKBQNXTIO-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107582386 984733622 /nfs/dbraw/zinc/73/36/22/984733622.db2.gz BGBOHADEPCYHNY-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP COC[C@H]1CCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000879051125 1015340785 /nfs/dbraw/zinc/34/07/85/1015340785.db2.gz NNNOMXPVNUWRDI-OYRHEFFESA-N 2 1 357.498 2.780 20 30 FFEDMP COC[C@H]1CCC[N@H+]1Cc1cc(C#N)cc(C[NH+]2CCC[C@H]2COC)c1 ZINC000879051125 1015340793 /nfs/dbraw/zinc/34/07/93/1015340793.db2.gz NNNOMXPVNUWRDI-OYRHEFFESA-N 2 1 357.498 2.780 20 30 FFEDMP COC[C@H]1CCC[N@@H+]1Cc1cc(C#N)cc(C[NH+]2CCC[C@H]2COC)c1 ZINC000879051125 1015340806 /nfs/dbraw/zinc/34/08/06/1015340806.db2.gz NNNOMXPVNUWRDI-OYRHEFFESA-N 2 1 357.498 2.780 20 30 FFEDMP C=CCc1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc(OC)c1O ZINC000922388856 988534408 /nfs/dbraw/zinc/53/44/08/988534408.db2.gz RVMQLZJRTQHSNO-RPHTVSPISA-N 2 1 374.525 2.699 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)[C@@H]1C(C)C ZINC000922392580 988552427 /nfs/dbraw/zinc/55/24/27/988552427.db2.gz DYJCLKSSUIFDMU-QCFAMHMHSA-N 2 1 357.498 2.526 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652363474 1015543753 /nfs/dbraw/zinc/54/37/53/1015543753.db2.gz FNTMRJPWQDDVNX-QFUCXCTJSA-N 2 1 359.514 2.834 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652363474 1015543764 /nfs/dbraw/zinc/54/37/64/1015543764.db2.gz FNTMRJPWQDDVNX-QFUCXCTJSA-N 2 1 359.514 2.834 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151542 991816120 /nfs/dbraw/zinc/81/61/20/991816120.db2.gz YGGAPFGNCXZYLX-PWRODBHTSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159172 991861903 /nfs/dbraw/zinc/86/19/03/991861903.db2.gz NECMXWADSSOJMV-FFZOFVMBSA-N 2 1 359.489 2.770 20 30 FFEDMP C(#CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)C[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000671243207 993227244 /nfs/dbraw/zinc/22/72/44/993227244.db2.gz UEZAOSOJKOUTHN-ZEQRLZLVSA-N 2 1 374.532 2.909 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC001081125666 993654888 /nfs/dbraw/zinc/65/48/88/993654888.db2.gz LNHZULIIXXQJFR-BHDDXSALSA-N 2 1 365.521 2.611 20 30 FFEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812914400 995570319 /nfs/dbraw/zinc/57/03/19/995570319.db2.gz NICLSMXVCXJNAK-NRFANRHFSA-N 2 1 374.504 2.661 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000824115064 996804672 /nfs/dbraw/zinc/80/46/72/996804672.db2.gz IGTJUKBUGGHJON-HXUWFJFHSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675473 996814517 /nfs/dbraw/zinc/81/45/17/996814517.db2.gz IRXDPTYQIBDABK-YUMYIRISSA-N 2 1 367.537 2.831 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675473 996814525 /nfs/dbraw/zinc/81/45/25/996814525.db2.gz IRXDPTYQIBDABK-YUMYIRISSA-N 2 1 367.537 2.831 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675473 996814536 /nfs/dbraw/zinc/81/45/36/996814536.db2.gz IRXDPTYQIBDABK-YUMYIRISSA-N 2 1 367.537 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946512 998269339 /nfs/dbraw/zinc/26/93/39/998269339.db2.gz RQPWQEGATMKBCV-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946512 998269345 /nfs/dbraw/zinc/26/93/45/998269345.db2.gz RQPWQEGATMKBCV-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946512 998269351 /nfs/dbraw/zinc/26/93/51/998269351.db2.gz RQPWQEGATMKBCV-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946512 998269359 /nfs/dbraw/zinc/26/93/59/998269359.db2.gz RQPWQEGATMKBCV-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1)[NH+](C)C ZINC001084964776 998400657 /nfs/dbraw/zinc/40/06/57/998400657.db2.gz QIEFBDGCWCZDJZ-HKBOAZHASA-N 2 1 368.525 2.567 20 30 FFEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745465 1016238257 /nfs/dbraw/zinc/23/82/57/1016238257.db2.gz FXKIUFUJRXIHAE-IVAOSVALSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745465 1016238265 /nfs/dbraw/zinc/23/82/65/1016238265.db2.gz FXKIUFUJRXIHAE-IVAOSVALSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745465 1016238271 /nfs/dbraw/zinc/23/82/71/1016238271.db2.gz FXKIUFUJRXIHAE-IVAOSVALSA-N 2 1 353.510 2.583 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014428 998677141 /nfs/dbraw/zinc/67/71/41/998677141.db2.gz DOMBQFNVXDATPV-GIVPXCGWSA-N 2 1 357.542 2.730 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014428 998677143 /nfs/dbraw/zinc/67/71/43/998677143.db2.gz DOMBQFNVXDATPV-GIVPXCGWSA-N 2 1 357.542 2.730 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014428 998677145 /nfs/dbraw/zinc/67/71/45/998677145.db2.gz DOMBQFNVXDATPV-GIVPXCGWSA-N 2 1 357.542 2.730 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001085230033 999215251 /nfs/dbraw/zinc/21/52/51/999215251.db2.gz XGFJLWAODMDGBT-NJYVYQBISA-N 2 1 353.510 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001085230033 999215259 /nfs/dbraw/zinc/21/52/59/999215259.db2.gz XGFJLWAODMDGBT-NJYVYQBISA-N 2 1 353.510 2.610 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085245280 999243864 /nfs/dbraw/zinc/24/38/64/999243864.db2.gz RTVYMLFKHVZFNG-AQNXPRMDSA-N 2 1 354.498 2.560 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+](C3CCN(CC)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001169251656 1000035004 /nfs/dbraw/zinc/03/50/04/1000035004.db2.gz XNFICIHTGHDEOQ-GGAORHGYSA-N 2 1 367.537 2.975 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+](C3CC[NH+](CC)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001169251656 1000035005 /nfs/dbraw/zinc/03/50/05/1000035005.db2.gz XNFICIHTGHDEOQ-GGAORHGYSA-N 2 1 367.537 2.975 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+](C3CC[NH+](CC)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001169251656 1000035006 /nfs/dbraw/zinc/03/50/06/1000035006.db2.gz XNFICIHTGHDEOQ-GGAORHGYSA-N 2 1 367.537 2.975 20 30 FFEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246168 1000325701 /nfs/dbraw/zinc/32/57/01/1000325701.db2.gz FHTQEIPRDZENNS-AWRGBYNESA-N 2 1 361.917 2.569 20 30 FFEDMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001109724561 1000900732 /nfs/dbraw/zinc/90/07/32/1000900732.db2.gz YSUGEASKZPJIMI-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001109724561 1000900741 /nfs/dbraw/zinc/90/07/41/1000900741.db2.gz YSUGEASKZPJIMI-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001109724561 1000900748 /nfs/dbraw/zinc/90/07/48/1000900748.db2.gz YSUGEASKZPJIMI-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001109724561 1000900757 /nfs/dbraw/zinc/90/07/57/1000900757.db2.gz YSUGEASKZPJIMI-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP COc1ccc(C(N)=[NH+]OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000786893899 1001640380 /nfs/dbraw/zinc/64/03/80/1001640380.db2.gz PAOFCDRCJLWBMH-FQEVSTJZSA-N 2 1 369.465 2.623 20 30 FFEDMP COc1ccc(C(N)=[NH+]OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000786893899 1001640384 /nfs/dbraw/zinc/64/03/84/1001640384.db2.gz PAOFCDRCJLWBMH-FQEVSTJZSA-N 2 1 369.465 2.623 20 30 FFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086592028 1002522630 /nfs/dbraw/zinc/52/26/30/1002522630.db2.gz RTOSIFDXZGONKF-QHAWAJNXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086592028 1002522642 /nfs/dbraw/zinc/52/26/42/1002522642.db2.gz RTOSIFDXZGONKF-QHAWAJNXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086592028 1002522652 /nfs/dbraw/zinc/52/26/52/1002522652.db2.gz RTOSIFDXZGONKF-QHAWAJNXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086605605 1002919349 /nfs/dbraw/zinc/91/93/49/1002919349.db2.gz MQAHJROGSJFIKH-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001086605605 1002919356 /nfs/dbraw/zinc/91/93/56/1002919356.db2.gz MQAHJROGSJFIKH-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001086605605 1002919365 /nfs/dbraw/zinc/91/93/65/1002919365.db2.gz MQAHJROGSJFIKH-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP C[C@@H]1C[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852866383 1006213566 /nfs/dbraw/zinc/21/35/66/1006213566.db2.gz GLGCULMXIHHSRQ-WIYYLYMNSA-N 2 1 353.510 2.501 20 30 FFEDMP CCCCCCCCS(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001188008675 1006363034 /nfs/dbraw/zinc/36/30/34/1006363034.db2.gz MZONJPPCODBYEG-UHFFFAOYSA-N 2 1 373.607 2.636 20 30 FFEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001189109777 1006886081 /nfs/dbraw/zinc/88/60/81/1006886081.db2.gz DJKGXPOTPQXKAU-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001189109777 1006886091 /nfs/dbraw/zinc/88/60/91/1006886091.db2.gz DJKGXPOTPQXKAU-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884378318 1007400786 /nfs/dbraw/zinc/40/07/86/1007400786.db2.gz OSOPQSAFHVSNAZ-ZXWVYEGYSA-N 2 1 372.557 2.629 20 30 FFEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862498 1007549156 /nfs/dbraw/zinc/54/91/56/1007549156.db2.gz NDIAACYYRWZVHJ-HDMKZQKVSA-N 2 1 362.543 2.725 20 30 FFEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426258 1008676539 /nfs/dbraw/zinc/67/65/39/1008676539.db2.gz PFVMYNFTDIGICY-UHFFFAOYSA-N 2 1 360.502 2.916 20 30 FFEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426258 1008676543 /nfs/dbraw/zinc/67/65/43/1008676543.db2.gz PFVMYNFTDIGICY-UHFFFAOYSA-N 2 1 360.502 2.916 20 30 FFEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810588 1009133741 /nfs/dbraw/zinc/13/37/41/1009133741.db2.gz HPYDNQJQDPPUKI-RTBURBONSA-N 2 1 355.567 2.942 20 30 FFEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810588 1009133745 /nfs/dbraw/zinc/13/37/45/1009133745.db2.gz HPYDNQJQDPPUKI-RTBURBONSA-N 2 1 355.567 2.942 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276243 1009777896 /nfs/dbraw/zinc/77/78/96/1009777896.db2.gz HSIIPLVHHOAYCK-AEFFLSMTSA-N 2 1 367.534 2.641 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001093224460 1010167493 /nfs/dbraw/zinc/16/74/93/1010167493.db2.gz WVZFQULWJXYKLU-XQBPLPMBSA-N 2 1 367.537 2.777 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001094241418 1010983829 /nfs/dbraw/zinc/98/38/29/1010983829.db2.gz BLBYACFUWPTZDI-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509797 1011179744 /nfs/dbraw/zinc/17/97/44/1011179744.db2.gz MGHYLOVCWXDHIE-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509797 1011179748 /nfs/dbraw/zinc/17/97/48/1011179748.db2.gz MGHYLOVCWXDHIE-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585182 1011310212 /nfs/dbraw/zinc/31/02/12/1011310212.db2.gz PJTMYZVMOTUMMP-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP CC1(C)C[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171974379 1011571663 /nfs/dbraw/zinc/57/16/63/1011571663.db2.gz FLIRVUCNNJXBFN-IBGZPJMESA-N 2 1 364.493 2.934 20 30 FFEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC001172176842 1011684125 /nfs/dbraw/zinc/68/41/25/1011684125.db2.gz WDKWGHIMMJPFKU-TUFLPTIASA-N 2 1 366.509 2.784 20 30 FFEDMP N#CCCCN1CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001275300810 1012249573 /nfs/dbraw/zinc/24/95/73/1012249573.db2.gz YTIYQWGUYWHMEZ-UHFFFAOYSA-N 2 1 351.454 2.681 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000303769523 1012426165 /nfs/dbraw/zinc/42/61/65/1012426165.db2.gz BBWSRUFGIUEKCF-OAQYLSRUSA-N 3 1 371.573 2.807 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](C1CCC(C)(C#N)CC1)CCC2 ZINC001173594941 1012768127 /nfs/dbraw/zinc/76/81/27/1012768127.db2.gz OKYYMXCXCRMILL-UHFFFAOYSA-N 2 1 371.529 2.762 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C1CCC(C)(C#N)CC1)CCC2 ZINC001173594941 1012768143 /nfs/dbraw/zinc/76/81/43/1012768143.db2.gz OKYYMXCXCRMILL-UHFFFAOYSA-N 2 1 371.529 2.762 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(C)(C#N)CC1)CCC2 ZINC001173594941 1012768152 /nfs/dbraw/zinc/76/81/52/1012768152.db2.gz OKYYMXCXCRMILL-UHFFFAOYSA-N 2 1 371.529 2.762 20 30 FFEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000925003580 1017578869 /nfs/dbraw/zinc/57/88/69/1017578869.db2.gz WLICLZRRJWQHIP-VQIMIIECSA-N 2 1 356.514 2.802 20 30 FFEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704316 1018845071 /nfs/dbraw/zinc/84/50/71/1018845071.db2.gz UTWMPMSAYPHLCE-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704316 1018845089 /nfs/dbraw/zinc/84/50/89/1018845089.db2.gz UTWMPMSAYPHLCE-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704316 1018845108 /nfs/dbraw/zinc/84/51/08/1018845108.db2.gz UTWMPMSAYPHLCE-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110959150 1019253177 /nfs/dbraw/zinc/25/31/77/1019253177.db2.gz FXEVJABZHBNUPU-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110959150 1019253186 /nfs/dbraw/zinc/25/31/86/1019253186.db2.gz FXEVJABZHBNUPU-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(C#N)CC3)CC2)CC1 ZINC000929610882 1019541048 /nfs/dbraw/zinc/54/10/48/1019541048.db2.gz YEHNEUHJWQYYCG-UHFFFAOYSA-N 2 1 360.546 2.583 20 30 FFEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902741831 1020443076 /nfs/dbraw/zinc/44/30/76/1020443076.db2.gz WXQQLXSNPZEDHZ-AVRDEDQJSA-N 2 1 363.509 2.983 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN3CCCC3)on1)C2 ZINC001111023365 1020702611 /nfs/dbraw/zinc/70/26/11/1020702611.db2.gz GRWXRMPYYXZICP-QXOCSCLMSA-N 2 1 372.513 2.960 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023365 1020702619 /nfs/dbraw/zinc/70/26/19/1020702619.db2.gz GRWXRMPYYXZICP-QXOCSCLMSA-N 2 1 372.513 2.960 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023365 1020702629 /nfs/dbraw/zinc/70/26/29/1020702629.db2.gz GRWXRMPYYXZICP-QXOCSCLMSA-N 2 1 372.513 2.960 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001099174564 1022002737 /nfs/dbraw/zinc/00/27/37/1022002737.db2.gz UGMIYULSEDIXKV-GMAHTHKFSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001099178700 1022009449 /nfs/dbraw/zinc/00/94/49/1022009449.db2.gz KJSAODRMNMQSFD-UWJYYQICSA-N 2 1 357.498 2.729 20 30 FFEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CCCCCC1 ZINC000190538694 1023652290 /nfs/dbraw/zinc/65/22/90/1023652290.db2.gz LJJIEWCPMOXNRJ-FQEVSTJZSA-N 2 1 358.530 2.905 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001111304142 1023707418 /nfs/dbraw/zinc/70/74/18/1023707418.db2.gz SNWJOSLIWVRKPC-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001111304142 1023707423 /nfs/dbraw/zinc/70/74/23/1023707423.db2.gz SNWJOSLIWVRKPC-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111304142 1023707430 /nfs/dbraw/zinc/70/74/30/1023707430.db2.gz SNWJOSLIWVRKPC-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111304142 1023707435 /nfs/dbraw/zinc/70/74/35/1023707435.db2.gz SNWJOSLIWVRKPC-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCC=C)C[C@@]2(C)C1 ZINC001101270676 1024276933 /nfs/dbraw/zinc/27/69/33/1024276933.db2.gz VQORWIXJEGIEPB-URVUXULASA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCC=C)C[C@@]2(C)C1 ZINC001101270676 1024276949 /nfs/dbraw/zinc/27/69/49/1024276949.db2.gz VQORWIXJEGIEPB-URVUXULASA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCC=C)C[C@@]2(C)C1 ZINC001101270676 1024276962 /nfs/dbraw/zinc/27/69/62/1024276962.db2.gz VQORWIXJEGIEPB-URVUXULASA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCC=C)C[C@@]2(C)C1 ZINC001101270676 1024276974 /nfs/dbraw/zinc/27/69/74/1024276974.db2.gz VQORWIXJEGIEPB-URVUXULASA-N 2 1 357.542 2.611 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312803 1024427525 /nfs/dbraw/zinc/42/75/25/1024427525.db2.gz LZNSXBJNHMCRHG-AEFFLSMTSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312803 1024427533 /nfs/dbraw/zinc/42/75/33/1024427533.db2.gz LZNSXBJNHMCRHG-AEFFLSMTSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372699 1025835745 /nfs/dbraw/zinc/83/57/45/1025835745.db2.gz KZRRWAROEBZZIS-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372699 1025835766 /nfs/dbraw/zinc/83/57/66/1025835766.db2.gz KZRRWAROEBZZIS-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372699 1025835783 /nfs/dbraw/zinc/83/57/83/1025835783.db2.gz KZRRWAROEBZZIS-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817177 1027008895 /nfs/dbraw/zinc/00/88/95/1027008895.db2.gz KCNSWIKWNOIIRW-QMMLZNLJSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103218987 1027069119 /nfs/dbraw/zinc/06/91/19/1027069119.db2.gz HZTZAFIJKURHRF-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000092665535 1027394645 /nfs/dbraw/zinc/39/46/45/1027394645.db2.gz TZITVMTZXUARQL-PMACEKPBSA-N 2 1 355.526 2.689 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495880 1027604325 /nfs/dbraw/zinc/60/43/25/1027604325.db2.gz XESGXRSMUYCDPP-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495880 1027604336 /nfs/dbraw/zinc/60/43/36/1027604336.db2.gz XESGXRSMUYCDPP-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495880 1027604345 /nfs/dbraw/zinc/60/43/45/1027604345.db2.gz XESGXRSMUYCDPP-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103582605 1027719908 /nfs/dbraw/zinc/71/99/08/1027719908.db2.gz BYBKSQRWHGVNCH-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103582605 1027719921 /nfs/dbraw/zinc/71/99/21/1027719921.db2.gz BYBKSQRWHGVNCH-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112111378 1030030697 /nfs/dbraw/zinc/03/06/97/1030030697.db2.gz SXKSWGHENNVZSF-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396711 1030739924 /nfs/dbraw/zinc/73/99/24/1030739924.db2.gz ATCCWXIQIONHDN-VCOUNFBDSA-N 2 1 357.542 2.635 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798405837 1031398007 /nfs/dbraw/zinc/39/80/07/1031398007.db2.gz AFRYQHIERDSOHV-JOCHJYFZSA-N 2 1 370.541 2.848 20 30 FFEDMP c1ccc(C[N@H+]2C[C@@H]3CCCC(=NNCCC[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000799488628 1031783080 /nfs/dbraw/zinc/78/30/80/1031783080.db2.gz HHDIUNYVFDKYCQ-SFTDATJTSA-N 2 1 370.541 2.586 20 30 FFEDMP c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNCCC[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000799488628 1031783095 /nfs/dbraw/zinc/78/30/95/1031783095.db2.gz HHDIUNYVFDKYCQ-SFTDATJTSA-N 2 1 370.541 2.586 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001223115796 1033296336 /nfs/dbraw/zinc/29/63/36/1033296336.db2.gz LRCDXDWZHNOPQE-XLIONFOSSA-N 2 1 356.514 2.651 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001223115796 1033296346 /nfs/dbraw/zinc/29/63/46/1033296346.db2.gz LRCDXDWZHNOPQE-XLIONFOSSA-N 2 1 356.514 2.651 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306139 1033838245 /nfs/dbraw/zinc/83/82/45/1033838245.db2.gz CTYAPYBXFUKAKP-MOPGFXCFSA-N 2 1 361.917 2.794 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096003 1034543135 /nfs/dbraw/zinc/54/31/35/1034543135.db2.gz MGKSMQQUPUJTOW-AABGKKOBSA-N 2 1 367.578 2.629 20 30 FFEDMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001221817332 1035091311 /nfs/dbraw/zinc/09/13/11/1035091311.db2.gz QCDITKLNJQMWHK-NHCUHLMSSA-N 2 1 367.537 2.549 20 30 FFEDMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001221817332 1035091316 /nfs/dbraw/zinc/09/13/16/1035091316.db2.gz QCDITKLNJQMWHK-NHCUHLMSSA-N 2 1 367.537 2.549 20 30 FFEDMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001221817332 1035091322 /nfs/dbraw/zinc/09/13/22/1035091322.db2.gz QCDITKLNJQMWHK-NHCUHLMSSA-N 2 1 367.537 2.549 20 30 FFEDMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001221817332 1035091327 /nfs/dbraw/zinc/09/13/27/1035091327.db2.gz QCDITKLNJQMWHK-NHCUHLMSSA-N 2 1 367.537 2.549 20 30 FFEDMP C#C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001235945246 1037848538 /nfs/dbraw/zinc/84/85/38/1037848538.db2.gz CDEKCHHPXINXAR-OAHLLOKOSA-N 2 1 362.315 2.704 20 30 FFEDMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001236066857 1037912968 /nfs/dbraw/zinc/91/29/68/1037912968.db2.gz KCFLUPUYIHUJKZ-JOCHJYFZSA-N 2 1 362.473 2.799 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208123677 1038060549 /nfs/dbraw/zinc/06/05/49/1038060549.db2.gz QBWAKVYFPLQDPH-YLJYHZDGSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208123677 1038060567 /nfs/dbraw/zinc/06/05/67/1038060567.db2.gz QBWAKVYFPLQDPH-YLJYHZDGSA-N 2 1 368.525 2.759 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)s1 ZINC001278925975 1038466840 /nfs/dbraw/zinc/46/68/40/1038466840.db2.gz VXEKJQMPOAQFTL-UHFFFAOYSA-N 2 1 354.479 2.818 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001537237594 1070150740 /nfs/dbraw/zinc/15/07/40/1070150740.db2.gz RKCDEKMDNIFKLQ-QFIPXVFZSA-N 2 1 367.537 2.845 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCC(=O)OCCCC)CC1 ZINC001257403067 1038788303 /nfs/dbraw/zinc/78/83/03/1038788303.db2.gz FVOHECCNTIUWGJ-HXUWFJFHSA-N 2 1 365.562 2.790 20 30 FFEDMP C#CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 ZINC001246047956 1039217417 /nfs/dbraw/zinc/21/74/17/1039217417.db2.gz YLCAFSJXCKOFJS-BHDDXSALSA-N 2 1 370.443 2.818 20 30 FFEDMP C#CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 ZINC001246047956 1039217422 /nfs/dbraw/zinc/21/74/22/1039217422.db2.gz YLCAFSJXCKOFJS-BHDDXSALSA-N 2 1 370.443 2.818 20 30 FFEDMP N#Cc1ccccc1OCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949436 1039860600 /nfs/dbraw/zinc/86/06/00/1039860600.db2.gz NAEHNEMHNGGFQX-JOCHJYFZSA-N 2 1 365.477 2.554 20 30 FFEDMP N#Cc1ccccc1OCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949436 1039860626 /nfs/dbraw/zinc/86/06/26/1039860626.db2.gz NAEHNEMHNGGFQX-JOCHJYFZSA-N 2 1 365.477 2.554 20 30 FFEDMP COc1ccc(Cn2nc(C(=[NH2+])N[C@H]3CC[N@H+](C)C3)c3ccccc32)cc1 ZINC001255428064 1041334596 /nfs/dbraw/zinc/33/45/96/1041334596.db2.gz VOWOEHRJQHBEMZ-INIZCTEOSA-N 2 1 363.465 2.503 20 30 FFEDMP COc1ccc(Cn2nc(C(=[NH2+])N[C@H]3CC[N@@H+](C)C3)c3ccccc32)cc1 ZINC001255428064 1041334612 /nfs/dbraw/zinc/33/46/12/1041334612.db2.gz VOWOEHRJQHBEMZ-INIZCTEOSA-N 2 1 363.465 2.503 20 30 FFEDMP Cc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)CC2)o1 ZINC001279496284 1043184735 /nfs/dbraw/zinc/18/47/35/1043184735.db2.gz JWFGTGHUNSYUEH-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)cccc3C#N)C[C@H]2CC1 ZINC001278313751 1044339470 /nfs/dbraw/zinc/33/94/70/1044339470.db2.gz GWEFTMUAXQBHRB-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)C[C@H]2CC1 ZINC001278313751 1044339473 /nfs/dbraw/zinc/33/94/73/1044339473.db2.gz GWEFTMUAXQBHRB-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)cccc3C#N)C[C@H]2CC1 ZINC001278313751 1044339478 /nfs/dbraw/zinc/33/94/78/1044339478.db2.gz GWEFTMUAXQBHRB-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)C[C@H]2CC1 ZINC001278313751 1044339486 /nfs/dbraw/zinc/33/94/86/1044339486.db2.gz GWEFTMUAXQBHRB-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]Cc2ccccc2C#N)C2CC2)CC[N@H+]1C ZINC001318699258 1044815069 /nfs/dbraw/zinc/81/50/69/1044815069.db2.gz UYRHZMROSZWCIC-TUNNFDKTSA-N 2 1 368.525 2.663 20 30 FFEDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OCC#N)cc3)cc2F)CC1 ZINC001318372775 1045285174 /nfs/dbraw/zinc/28/51/74/1045285174.db2.gz SKMZFIBNNLEIKJ-UHFFFAOYSA-N 2 1 368.456 2.770 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001324727637 1046190664 /nfs/dbraw/zinc/19/06/64/1046190664.db2.gz KKJBDHIMSBCXAX-TUNNFDKTSA-N 2 1 368.525 2.617 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001331962740 1048188976 /nfs/dbraw/zinc/18/89/76/1048188976.db2.gz NKFNFBFKHMAYOB-UHFFFAOYSA-N 2 1 362.477 2.925 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC001331962740 1048188978 /nfs/dbraw/zinc/18/89/78/1048188978.db2.gz NKFNFBFKHMAYOB-UHFFFAOYSA-N 2 1 362.477 2.925 20 30 FFEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001340491797 1050888837 /nfs/dbraw/zinc/88/88/37/1050888837.db2.gz MAALSBOPRFEBFB-DZFGPLHGSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001340491797 1050888845 /nfs/dbraw/zinc/88/88/45/1050888845.db2.gz MAALSBOPRFEBFB-DZFGPLHGSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001340491797 1050888850 /nfs/dbraw/zinc/88/88/50/1050888850.db2.gz MAALSBOPRFEBFB-DZFGPLHGSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001340491797 1050888860 /nfs/dbraw/zinc/88/88/60/1050888860.db2.gz MAALSBOPRFEBFB-DZFGPLHGSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001340491797 1050888864 /nfs/dbraw/zinc/88/88/64/1050888864.db2.gz MAALSBOPRFEBFB-DZFGPLHGSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@H]2CCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338994556 1055997827 /nfs/dbraw/zinc/99/78/27/1055997827.db2.gz FUIIFPIQELOZLG-SJLPKXTDSA-N 2 1 358.534 2.541 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](CC)C[C@@H]1CC)C(C)C ZINC001467659850 1063810452 /nfs/dbraw/zinc/81/04/52/1063810452.db2.gz AKDBFYRJYGDXIH-OALUTQOASA-N 2 1 350.551 2.811 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871532 1064052388 /nfs/dbraw/zinc/05/23/88/1064052388.db2.gz CBLZBYCNOCCNII-LEWJYISDSA-N 2 1 368.525 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871532 1064052398 /nfs/dbraw/zinc/05/23/98/1064052398.db2.gz CBLZBYCNOCCNII-LEWJYISDSA-N 2 1 368.525 2.610 20 30 FFEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001574908473 1078091905 /nfs/dbraw/zinc/09/19/05/1078091905.db2.gz OUALFSQUPYVDHS-QKLQHJQFSA-N 2 1 359.514 2.596 20 30 FFEDMP C=CCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001574925391 1078093406 /nfs/dbraw/zinc/09/34/06/1078093406.db2.gz OZUYYSUUEIAAJL-ZACQAIPSSA-N 2 1 360.550 2.616 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3 ZINC001568551943 1077100794 /nfs/dbraw/zinc/10/07/94/1077100794.db2.gz ZCGLSQJZCMMBPM-UHFFFAOYSA-N 2 1 354.498 2.736 20 30 FFEDMP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC001568551943 1077100795 /nfs/dbraw/zinc/10/07/95/1077100795.db2.gz ZCGLSQJZCMMBPM-UHFFFAOYSA-N 2 1 354.498 2.736 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC001568551943 1077100797 /nfs/dbraw/zinc/10/07/97/1077100797.db2.gz ZCGLSQJZCMMBPM-UHFFFAOYSA-N 2 1 354.498 2.736 20 30 FFEDMP C=CC[NH+](C)CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC001568551943 1077100799 /nfs/dbraw/zinc/10/07/99/1077100799.db2.gz ZCGLSQJZCMMBPM-UHFFFAOYSA-N 2 1 354.498 2.736 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C2CCCC2)CC[N@H+]1C ZINC001569603611 1077154750 /nfs/dbraw/zinc/15/47/50/1077154750.db2.gz BQZVTSXJZBXCJI-HBGVWJBISA-N 2 1 368.525 2.663 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299632948 258012584 /nfs/dbraw/zinc/01/25/84/258012584.db2.gz KBPFPSSNVLDURO-UHFFFAOYSA-N 2 1 371.510 2.964 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299632948 258012585 /nfs/dbraw/zinc/01/25/85/258012585.db2.gz KBPFPSSNVLDURO-UHFFFAOYSA-N 2 1 371.510 2.964 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC000076073541 508156072 /nfs/dbraw/zinc/15/60/72/508156072.db2.gz BRISOQJORVQQNP-IBGZPJMESA-N 2 1 350.551 2.811 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247963734 509201037 /nfs/dbraw/zinc/20/10/37/509201037.db2.gz GMUZUMHQYKCUHV-PZJWPPBQSA-N 2 1 368.525 2.966 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000248404158 509298636 /nfs/dbraw/zinc/29/86/36/509298636.db2.gz ZXTZTCHKVUIABH-GUDVDZBRSA-N 2 1 370.541 2.741 20 30 FFEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185703406 509313508 /nfs/dbraw/zinc/31/35/08/509313508.db2.gz FCCCRPBCLKAXPO-SQNIBIBYSA-N 2 1 360.546 2.960 20 30 FFEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185703406 509313517 /nfs/dbraw/zinc/31/35/17/509313517.db2.gz FCCCRPBCLKAXPO-SQNIBIBYSA-N 2 1 360.546 2.960 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000264103079 509332065 /nfs/dbraw/zinc/33/20/65/509332065.db2.gz OOCQHKOUILGSMB-UHFFFAOYSA-N 2 1 368.481 2.879 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180984250 510221879 /nfs/dbraw/zinc/22/18/79/510221879.db2.gz RDXKALDOZLSEBX-JOCHJYFZSA-N 2 1 364.489 2.945 20 30 FFEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000262553316 510315334 /nfs/dbraw/zinc/31/53/34/510315334.db2.gz UHXXZYJMLLOIEF-IAGOWNOFSA-N 2 1 354.454 2.845 20 30 FFEDMP N#Cc1ccc(CNCc2cccc(OCCN3CCOCC3)c2)c(F)c1 ZINC000269426733 510400890 /nfs/dbraw/zinc/40/08/90/510400890.db2.gz NUXCUEFRKFNDMY-UHFFFAOYSA-N 2 1 369.440 2.698 20 30 FFEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCSC1 ZINC000269591891 510474807 /nfs/dbraw/zinc/47/48/07/510474807.db2.gz DUEWLQBBZZOTME-CQSZACIVSA-N 2 1 362.421 2.749 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N(C)CCC#N ZINC000246596913 510576514 /nfs/dbraw/zinc/57/65/14/510576514.db2.gz PYOSLDZWGHKZKF-QZTJIDSGSA-N 2 1 356.514 2.769 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330017027 510901672 /nfs/dbraw/zinc/90/16/72/510901672.db2.gz QLQFJXBGTBWCTO-UHFFFAOYSA-N 2 1 370.501 2.934 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299002285 511480751 /nfs/dbraw/zinc/48/07/51/511480751.db2.gz QLQVJEBFJUOFOL-YRISNDGFSA-N 2 1 366.509 2.906 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299002285 511480755 /nfs/dbraw/zinc/48/07/55/511480755.db2.gz QLQVJEBFJUOFOL-YRISNDGFSA-N 2 1 366.509 2.906 20 30 FFEDMP C=CCOCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363321756 511481342 /nfs/dbraw/zinc/48/13/42/511481342.db2.gz VNALBQMUWKDXPH-UHFFFAOYSA-N 2 1 365.562 2.624 20 30 FFEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3nc(CN4CCCCC4)cs3)[C@@H]2C1 ZINC000329227083 512009253 /nfs/dbraw/zinc/00/92/53/512009253.db2.gz AVVCQHRDUOCSGV-GDBMZVCRSA-N 2 1 363.531 2.701 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528677 513812047 /nfs/dbraw/zinc/81/20/47/513812047.db2.gz LVMTTYKZHHJDGJ-FQEVSTJZSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528677 513812049 /nfs/dbraw/zinc/81/20/49/513812049.db2.gz LVMTTYKZHHJDGJ-FQEVSTJZSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528677 513812052 /nfs/dbraw/zinc/81/20/52/513812052.db2.gz LVMTTYKZHHJDGJ-FQEVSTJZSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528677 513812055 /nfs/dbraw/zinc/81/20/55/513812055.db2.gz LVMTTYKZHHJDGJ-FQEVSTJZSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531021 513814063 /nfs/dbraw/zinc/81/40/63/513814063.db2.gz RCBFHKMESOHWEL-JOCHJYFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531021 513814070 /nfs/dbraw/zinc/81/40/70/513814070.db2.gz RCBFHKMESOHWEL-JOCHJYFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531021 513814076 /nfs/dbraw/zinc/81/40/76/513814076.db2.gz RCBFHKMESOHWEL-JOCHJYFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531021 513814084 /nfs/dbraw/zinc/81/40/84/513814084.db2.gz RCBFHKMESOHWEL-JOCHJYFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531021 513814093 /nfs/dbraw/zinc/81/40/93/513814093.db2.gz RCBFHKMESOHWEL-JOCHJYFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531021 513814101 /nfs/dbraw/zinc/81/41/01/513814101.db2.gz RCBFHKMESOHWEL-JOCHJYFZSA-N 2 1 368.525 2.519 20 30 FFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331387 514096273 /nfs/dbraw/zinc/09/62/73/514096273.db2.gz QRLXMSBCZAEKBI-OKZBNKHCSA-N 2 1 361.555 2.973 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424138223 514395190 /nfs/dbraw/zinc/39/51/90/514395190.db2.gz TZVTUIUXQBHVCQ-FUHIMQAGSA-N 2 1 356.514 2.802 20 30 FFEDMP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000467285799 514965113 /nfs/dbraw/zinc/96/51/13/514965113.db2.gz LIFJYRDSJCXZLL-UHFFFAOYSA-N 2 1 351.494 2.992 20 30 FFEDMP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000467285799 514965126 /nfs/dbraw/zinc/96/51/26/514965126.db2.gz LIFJYRDSJCXZLL-UHFFFAOYSA-N 2 1 351.494 2.992 20 30 FFEDMP C=C(CC)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459079870 515308024 /nfs/dbraw/zinc/30/80/24/515308024.db2.gz PCPOTILUGWEIFI-UHFFFAOYSA-N 2 1 350.551 2.790 20 30 FFEDMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000542948354 517832726 /nfs/dbraw/zinc/83/27/26/517832726.db2.gz XSWDOBOQSWWZPL-FQEVSTJZSA-N 2 1 356.514 2.919 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)c(OC)c1 ZINC000566125710 519318030 /nfs/dbraw/zinc/31/80/30/519318030.db2.gz VJUMQFNBXFRIST-MHJFOBGBSA-N 2 1 374.525 2.770 20 30 FFEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000600754609 520449023 /nfs/dbraw/zinc/44/90/23/520449023.db2.gz FZNOWEQOYQCFRY-LJQANCHMSA-N 2 1 354.454 2.549 20 30 FFEDMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595612401 520592192 /nfs/dbraw/zinc/59/21/92/520592192.db2.gz WJUQEYWSYXXMRU-IBGZPJMESA-N 2 1 368.525 2.701 20 30 FFEDMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595612401 520592195 /nfs/dbraw/zinc/59/21/95/520592195.db2.gz WJUQEYWSYXXMRU-IBGZPJMESA-N 2 1 368.525 2.701 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596692397 521224243 /nfs/dbraw/zinc/22/42/43/521224243.db2.gz FIHOJSOYJLBVOV-KRWDZBQOSA-N 2 1 371.529 2.504 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596692397 521224252 /nfs/dbraw/zinc/22/42/52/521224252.db2.gz FIHOJSOYJLBVOV-KRWDZBQOSA-N 2 1 371.529 2.504 20 30 FFEDMP N#Cc1cccc2c1CN(C(=O)CC1([NH3+])CC[NH+](Cc3ccccc3)CC1)C2 ZINC000602520591 521392897 /nfs/dbraw/zinc/39/28/97/521392897.db2.gz INTWFTGLRYMUHP-UHFFFAOYSA-N 2 1 374.488 2.784 20 30 FFEDMP C=CCCSCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602524082 521394270 /nfs/dbraw/zinc/39/42/70/521394270.db2.gz AGNPNDBYRBIOQP-UHFFFAOYSA-N 2 1 361.555 2.796 20 30 FFEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000303983965 729736428 /nfs/dbraw/zinc/73/64/28/729736428.db2.gz RSGPRHWWDYVPNC-CYBMUJFWSA-N 2 1 373.328 2.724 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000876732043 732273408 /nfs/dbraw/zinc/27/34/08/732273408.db2.gz WDDWOLUVTSCLFD-INIZCTEOSA-N 2 1 357.832 2.515 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C(C)C ZINC000662682296 732346046 /nfs/dbraw/zinc/34/60/46/732346046.db2.gz QQUDBKRXSPFCRT-MSOLQXFVSA-N 2 1 351.441 2.779 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000852855324 749965800 /nfs/dbraw/zinc/96/58/00/749965800.db2.gz IIKJXRQMNZQAEC-IBGZPJMESA-N 2 1 359.901 2.596 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC000960009052 1013302530 /nfs/dbraw/zinc/30/25/30/1013302530.db2.gz WNTQWIRJGGBISI-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104294447 962383655 /nfs/dbraw/zinc/38/36/55/962383655.db2.gz QGJAFDMOOUENSI-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC000960643716 1013437370 /nfs/dbraw/zinc/43/73/70/1013437370.db2.gz MAASQGDGVJJYIK-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC000960643716 1013437375 /nfs/dbraw/zinc/43/73/75/1013437375.db2.gz MAASQGDGVJJYIK-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000960643716 1013437385 /nfs/dbraw/zinc/43/73/85/1013437385.db2.gz MAASQGDGVJJYIK-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000960643716 1013437391 /nfs/dbraw/zinc/43/73/91/1013437391.db2.gz MAASQGDGVJJYIK-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)[N@H+](C)C1 ZINC000328948194 965104761 /nfs/dbraw/zinc/10/47/61/965104761.db2.gz MWBMOFSUTDXRSI-ROUUACIJSA-N 2 1 374.485 2.741 20 30 FFEDMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)[N@@H+](C)C1 ZINC000328948194 965104768 /nfs/dbraw/zinc/10/47/68/965104768.db2.gz MWBMOFSUTDXRSI-ROUUACIJSA-N 2 1 374.485 2.741 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087469498 965297077 /nfs/dbraw/zinc/29/70/77/965297077.db2.gz GTJBRHNWCQPPNK-WOJBJXKFSA-N 2 1 359.489 2.772 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262015161 965691463 /nfs/dbraw/zinc/69/14/63/965691463.db2.gz XNVRIFPDHDCOOW-DNVCBOLYSA-N 2 1 367.497 2.798 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1ccccc1 ZINC001211605289 967846629 /nfs/dbraw/zinc/84/66/29/967846629.db2.gz JKJPMWZGRMLGTO-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1ccccc1 ZINC001211613284 967996349 /nfs/dbraw/zinc/99/63/49/967996349.db2.gz GHEMXLQFRPJTMV-VQTJNVASSA-N 2 1 352.482 2.893 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001023996143 968399911 /nfs/dbraw/zinc/39/99/11/968399911.db2.gz VDTTZSCPKFJVOH-QHAWAJNXSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087725547 968764889 /nfs/dbraw/zinc/76/48/89/968764889.db2.gz UCSFWXNKUPWTHL-JCGIZDLHSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087725547 968764896 /nfs/dbraw/zinc/76/48/96/968764896.db2.gz UCSFWXNKUPWTHL-JCGIZDLHSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087725547 968764900 /nfs/dbraw/zinc/76/49/00/968764900.db2.gz UCSFWXNKUPWTHL-JCGIZDLHSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087725547 968764909 /nfs/dbraw/zinc/76/49/09/968764909.db2.gz UCSFWXNKUPWTHL-JCGIZDLHSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087727892 968775470 /nfs/dbraw/zinc/77/54/70/968775470.db2.gz RPQFMJWQBWSUSW-LEWJYISDSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087727892 968775476 /nfs/dbraw/zinc/77/54/76/968775476.db2.gz RPQFMJWQBWSUSW-LEWJYISDSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC#Cc1ccccc1 ZINC001087727892 968775484 /nfs/dbraw/zinc/77/54/84/968775484.db2.gz RPQFMJWQBWSUSW-LEWJYISDSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC#Cc1ccccc1 ZINC001087727892 968775493 /nfs/dbraw/zinc/77/54/93/968775493.db2.gz RPQFMJWQBWSUSW-LEWJYISDSA-N 2 1 367.537 2.739 20 30 FFEDMP C=CC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000662730940 973834725 /nfs/dbraw/zinc/83/47/25/973834725.db2.gz VOAZMDOHTJGMPZ-RKKYOWQMSA-N 2 1 353.510 2.997 20 30 FFEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)COC ZINC000661240135 973971559 /nfs/dbraw/zinc/97/15/59/973971559.db2.gz MESQOYXLYOIPQZ-IBGZPJMESA-N 2 1 373.541 2.599 20 30 FFEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)COC ZINC000661240135 973971567 /nfs/dbraw/zinc/97/15/67/973971567.db2.gz MESQOYXLYOIPQZ-IBGZPJMESA-N 2 1 373.541 2.599 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088709759 975428658 /nfs/dbraw/zinc/42/86/58/975428658.db2.gz TVPYQRAYLKJTDT-QRWLVFNGSA-N 2 1 359.433 2.599 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530529 975527102 /nfs/dbraw/zinc/52/71/02/975527102.db2.gz YVRSEHRLJOSUOH-IPJJNNNSSA-N 2 1 370.541 2.938 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428305 975624248 /nfs/dbraw/zinc/62/42/48/975624248.db2.gz XUVCOQKYUPJOBN-BHIFYINESA-N 2 1 367.537 2.879 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088810934 976646607 /nfs/dbraw/zinc/64/66/07/976646607.db2.gz BTWYEYFVFZBMIY-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088810934 976646614 /nfs/dbraw/zinc/64/66/14/976646614.db2.gz BTWYEYFVFZBMIY-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088810934 976646622 /nfs/dbraw/zinc/64/66/22/976646622.db2.gz BTWYEYFVFZBMIY-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)CC[C@@H]1c1ccc(F)cc1 ZINC001087465509 978329654 /nfs/dbraw/zinc/32/96/54/978329654.db2.gz RYGXJBQKQVCDCK-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001112215962 980405856 /nfs/dbraw/zinc/40/58/56/980405856.db2.gz PTFPKGOVAXKJGE-IAGOWNOFSA-N 2 1 369.431 2.673 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001112215962 980405862 /nfs/dbraw/zinc/40/58/62/980405862.db2.gz PTFPKGOVAXKJGE-IAGOWNOFSA-N 2 1 369.431 2.673 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213724 981403213 /nfs/dbraw/zinc/40/32/13/981403213.db2.gz QQOVRUJOPIQHNR-VAMGGRTRSA-N 2 1 365.562 2.647 20 30 FFEDMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000898295997 982674535 /nfs/dbraw/zinc/67/45/35/982674535.db2.gz DCOURUWFGRQKLH-LJQANCHMSA-N 2 1 354.498 2.512 20 30 FFEDMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000898308214 982678129 /nfs/dbraw/zinc/67/81/29/982678129.db2.gz SLLLQPMLPMBLGX-UHFFFAOYSA-N 2 1 354.502 2.878 20 30 FFEDMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000898308214 982678134 /nfs/dbraw/zinc/67/81/34/982678134.db2.gz SLLLQPMLPMBLGX-UHFFFAOYSA-N 2 1 354.502 2.878 20 30 FFEDMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001107614422 984823979 /nfs/dbraw/zinc/82/39/79/984823979.db2.gz APFCTEKGNAUIDR-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107614422 984824002 /nfs/dbraw/zinc/82/40/02/984824002.db2.gz APFCTEKGNAUIDR-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107614422 984824022 /nfs/dbraw/zinc/82/40/22/984824022.db2.gz APFCTEKGNAUIDR-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000997792067 985746940 /nfs/dbraw/zinc/74/69/40/985746940.db2.gz FQWSQGCHGGSTLO-LEWJYISDSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(CC)c3)[C@@H]2C)CC1 ZINC001089059898 986141353 /nfs/dbraw/zinc/14/13/53/986141353.db2.gz HUZGMZGELNKSNW-GCJKJVERSA-N 2 1 367.537 2.673 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001005416185 989771155 /nfs/dbraw/zinc/77/11/55/989771155.db2.gz OZRZQKWKLQATKX-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001005416185 989771160 /nfs/dbraw/zinc/77/11/60/989771160.db2.gz OZRZQKWKLQATKX-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108254 990169027 /nfs/dbraw/zinc/16/90/27/990169027.db2.gz HWCAKYVCPYUSDS-VSKRKVRLSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108254 990169028 /nfs/dbraw/zinc/16/90/28/990169028.db2.gz HWCAKYVCPYUSDS-VSKRKVRLSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108254 990169029 /nfs/dbraw/zinc/16/90/29/990169029.db2.gz HWCAKYVCPYUSDS-VSKRKVRLSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108254 990169035 /nfs/dbraw/zinc/16/90/35/990169035.db2.gz HWCAKYVCPYUSDS-VSKRKVRLSA-N 2 1 365.521 2.597 20 30 FFEDMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569369 1015590693 /nfs/dbraw/zinc/59/06/93/1015590693.db2.gz OBFFKPJPECFWSQ-WMLDXEAASA-N 2 1 372.538 2.853 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079158992 991862624 /nfs/dbraw/zinc/86/26/24/991862624.db2.gz DNXJADUHDMBVGE-LSTHTHJFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079295217 991981641 /nfs/dbraw/zinc/98/16/41/991981641.db2.gz VOHNQVWWPSEGGK-DFQSSKMNSA-N 2 1 359.489 2.769 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081125595 993650917 /nfs/dbraw/zinc/65/09/17/993650917.db2.gz IKPDCPBSSBNIBH-IPMKNSEASA-N 2 1 350.466 2.531 20 30 FFEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001054203063 1015968138 /nfs/dbraw/zinc/96/81/38/1015968138.db2.gz PYKAGGOCGRSLPH-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001054203063 1015968144 /nfs/dbraw/zinc/96/81/44/1015968144.db2.gz PYKAGGOCGRSLPH-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001054203063 1015968148 /nfs/dbraw/zinc/96/81/48/1015968148.db2.gz PYKAGGOCGRSLPH-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]21 ZINC001084943148 998236168 /nfs/dbraw/zinc/23/61/68/998236168.db2.gz KAWPWPOZLZBZIA-WTGUMLROSA-N 2 1 368.525 2.653 20 30 FFEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001171185142 998546263 /nfs/dbraw/zinc/54/62/63/998546263.db2.gz OPOWGPUSPHWCPK-MRXNPFEDSA-N 2 1 372.513 2.807 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001084997699 998620872 /nfs/dbraw/zinc/62/08/72/998620872.db2.gz SFYWFGVIEXUOOC-CTNGQTDRSA-N 2 1 355.526 2.903 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085245281 999244388 /nfs/dbraw/zinc/24/43/88/999244388.db2.gz RTVYMLFKHVZFNG-VAMGGRTRSA-N 2 1 354.498 2.560 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001096605481 1016343440 /nfs/dbraw/zinc/34/34/40/1016343440.db2.gz REAZQQKSZDNVPG-HKBOAZHASA-N 2 1 357.542 2.633 20 30 FFEDMP COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C#N ZINC000742366275 999770870 /nfs/dbraw/zinc/77/08/70/999770870.db2.gz RIRBJCRRBXDRPQ-SFHVURJKSA-N 2 1 370.522 2.707 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719373 1000907149 /nfs/dbraw/zinc/90/71/49/1000907149.db2.gz GRWXRMPYYXZICP-HBXLWWENSA-N 2 1 372.513 2.960 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719373 1000907155 /nfs/dbraw/zinc/90/71/55/1000907155.db2.gz GRWXRMPYYXZICP-HBXLWWENSA-N 2 1 372.513 2.960 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001091748159 1001214644 /nfs/dbraw/zinc/21/46/44/1001214644.db2.gz CTIIZOOSHAGKKJ-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001091748159 1001214651 /nfs/dbraw/zinc/21/46/51/1001214651.db2.gz CTIIZOOSHAGKKJ-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001091748159 1001214656 /nfs/dbraw/zinc/21/46/56/1001214656.db2.gz CTIIZOOSHAGKKJ-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001091748159 1001214659 /nfs/dbraw/zinc/21/46/59/1001214659.db2.gz CTIIZOOSHAGKKJ-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1 ZINC001112586366 1001538000 /nfs/dbraw/zinc/53/80/00/1001538000.db2.gz WCFVXIYEWQSIKS-GMAHTHKFSA-N 2 1 367.537 2.597 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)C[C@]2(C)C1 ZINC001091882865 1001982569 /nfs/dbraw/zinc/98/25/69/1001982569.db2.gz MYIPMPXAIWHZBK-KNQAVFIVSA-N 2 1 355.526 2.761 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091948136 1002148941 /nfs/dbraw/zinc/14/89/41/1002148941.db2.gz SXYCPWDBIRJROW-CBQOVEMMSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091948136 1002148944 /nfs/dbraw/zinc/14/89/44/1002148944.db2.gz SXYCPWDBIRJROW-CBQOVEMMSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091948136 1002148946 /nfs/dbraw/zinc/14/89/46/1002148946.db2.gz SXYCPWDBIRJROW-CBQOVEMMSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599387 1002720509 /nfs/dbraw/zinc/72/05/09/1002720509.db2.gz LYPBWGSYYHGRNU-LEWJYISDSA-N 2 1 358.445 2.555 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599387 1002720521 /nfs/dbraw/zinc/72/05/21/1002720521.db2.gz LYPBWGSYYHGRNU-LEWJYISDSA-N 2 1 358.445 2.555 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001086613177 1003363311 /nfs/dbraw/zinc/36/33/11/1003363311.db2.gz FVQHPCADQDWDOA-ILWGZMRPSA-N 2 1 367.537 2.858 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961486 1004854435 /nfs/dbraw/zinc/85/44/35/1004854435.db2.gz OTLHFZLUMKTORA-RTBURBONSA-N 2 1 367.578 2.630 20 30 FFEDMP CCCCCCCC[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001201813803 1005270784 /nfs/dbraw/zinc/27/07/84/1005270784.db2.gz JQJXBSUGIWJXDB-UHFFFAOYSA-N 2 1 367.578 2.850 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086712150 1005960353 /nfs/dbraw/zinc/96/03/53/1005960353.db2.gz RKLXUWCZQFOIGB-WMQCIHAUSA-N 2 1 368.525 2.807 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000130421522 1006549900 /nfs/dbraw/zinc/54/99/00/1006549900.db2.gz ODSSXXAUWCHYRD-QGZVFWFLSA-N 2 1 374.448 2.751 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000130421522 1006549909 /nfs/dbraw/zinc/54/99/09/1006549909.db2.gz ODSSXXAUWCHYRD-QGZVFWFLSA-N 2 1 374.448 2.751 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000130421757 1006550004 /nfs/dbraw/zinc/55/00/04/1006550004.db2.gz ODSSXXAUWCHYRD-KRWDZBQOSA-N 2 1 374.448 2.751 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000130421757 1006550013 /nfs/dbraw/zinc/55/00/13/1006550013.db2.gz ODSSXXAUWCHYRD-KRWDZBQOSA-N 2 1 374.448 2.751 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110741031 1008317469 /nfs/dbraw/zinc/31/74/69/1008317469.db2.gz OEYXRMBEVKRKCL-XYPHTWIQSA-N 2 1 360.527 2.572 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110741031 1008317475 /nfs/dbraw/zinc/31/74/75/1008317475.db2.gz OEYXRMBEVKRKCL-XYPHTWIQSA-N 2 1 360.527 2.572 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110741031 1008317479 /nfs/dbraw/zinc/31/74/79/1008317479.db2.gz OEYXRMBEVKRKCL-XYPHTWIQSA-N 2 1 360.527 2.572 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110741031 1008317485 /nfs/dbraw/zinc/31/74/85/1008317485.db2.gz OEYXRMBEVKRKCL-XYPHTWIQSA-N 2 1 360.527 2.572 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2C)CC1 ZINC001093223612 1010168172 /nfs/dbraw/zinc/16/81/72/1010168172.db2.gz COEWCGOTIJKPEP-WIYYLYMNSA-N 2 1 371.569 2.596 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001093806283 1010583036 /nfs/dbraw/zinc/58/30/36/1010583036.db2.gz UWVVSWGKVGDQNB-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001093833169 1010604228 /nfs/dbraw/zinc/60/42/28/1010604228.db2.gz VQWJSHWXNAOZMM-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001093833169 1010604235 /nfs/dbraw/zinc/60/42/35/1010604235.db2.gz VQWJSHWXNAOZMM-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000865570735 1010818670 /nfs/dbraw/zinc/81/86/70/1010818670.db2.gz BZPIGOIOSNDPSM-UHFFFAOYSA-N 2 1 367.497 2.640 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094536995 1011199011 /nfs/dbraw/zinc/19/90/11/1011199011.db2.gz GHSGVTHFFGKBTD-IFMALSPDSA-N 2 1 353.510 2.746 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(Cl)cc1 ZINC001110161704 1011326119 /nfs/dbraw/zinc/32/61/19/1011326119.db2.gz QFWYALRHZWEPPA-AABGKKOBSA-N 2 1 373.928 2.753 20 30 FFEDMP CCCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275114889 1011956676 /nfs/dbraw/zinc/95/66/76/1011956676.db2.gz QQNMWSCEWZLPSE-FQEVSTJZSA-N 2 1 351.535 2.750 20 30 FFEDMP COc1ccc(CCNC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303373285 1012084580 /nfs/dbraw/zinc/08/45/80/1012084580.db2.gz MLFVQUMENIVRKH-CALCHBBNSA-N 2 1 360.546 2.899 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1OC ZINC000303882310 1012498977 /nfs/dbraw/zinc/49/89/77/1012498977.db2.gz LHMTZHVPPPRTKG-SFHVURJKSA-N 2 1 370.497 2.719 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001275668588 1012805800 /nfs/dbraw/zinc/80/58/00/1012805800.db2.gz QRNUOKNMMYNRHZ-VQTJNVASSA-N 2 1 370.541 2.863 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)c1 ZINC001222135725 1032780272 /nfs/dbraw/zinc/78/02/72/1032780272.db2.gz GRRIZFMSCTXJRG-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)c1 ZINC001222135725 1032780288 /nfs/dbraw/zinc/78/02/88/1032780288.db2.gz GRRIZFMSCTXJRG-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP C=CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758079 1032821710 /nfs/dbraw/zinc/82/17/10/1032821710.db2.gz UPRMAJANCYQYKK-IRLDBZIGSA-N 2 1 353.510 2.585 20 30 FFEDMP C=CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758079 1032821716 /nfs/dbraw/zinc/82/17/16/1032821716.db2.gz UPRMAJANCYQYKK-IRLDBZIGSA-N 2 1 353.510 2.585 20 30 FFEDMP C[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337430 1020776100 /nfs/dbraw/zinc/77/61/00/1020776100.db2.gz RYUGPGYFOKTZGV-ROUUACIJSA-N 2 1 357.498 2.780 20 30 FFEDMP C[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337430 1020776110 /nfs/dbraw/zinc/77/61/10/1020776110.db2.gz RYUGPGYFOKTZGV-ROUUACIJSA-N 2 1 357.498 2.780 20 30 FFEDMP C=C1CC[NH2+]C[C@H]1Oc1nc(C)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001218206316 1033047177 /nfs/dbraw/zinc/04/71/77/1033047177.db2.gz ARIKTLHIPOXRGE-HXUWFJFHSA-N 2 1 350.466 2.640 20 30 FFEDMP C=C1CC[NH2+]C[C@H]1Oc1nc(C)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001218206316 1033047189 /nfs/dbraw/zinc/04/71/89/1033047189.db2.gz ARIKTLHIPOXRGE-HXUWFJFHSA-N 2 1 350.466 2.640 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(Cl)cc1 ZINC001111228298 1022491961 /nfs/dbraw/zinc/49/19/61/1022491961.db2.gz DUMMRGJFNVFSKP-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001111228298 1022491965 /nfs/dbraw/zinc/49/19/65/1022491965.db2.gz DUMMRGJFNVFSKP-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001111228298 1022491974 /nfs/dbraw/zinc/49/19/74/1022491974.db2.gz DUMMRGJFNVFSKP-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111228298 1022491979 /nfs/dbraw/zinc/49/19/79/1022491979.db2.gz DUMMRGJFNVFSKP-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111228298 1022491985 /nfs/dbraw/zinc/49/19/85/1022491985.db2.gz DUMMRGJFNVFSKP-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c(OC)c1 ZINC000754742067 1023511117 /nfs/dbraw/zinc/51/11/17/1023511117.db2.gz WFMABJBGNLQIMH-IPMKNSEASA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278761 1024303741 /nfs/dbraw/zinc/30/37/41/1024303741.db2.gz ZMOXJWPZQZOAML-SBHAEUEKSA-N 2 1 359.558 2.997 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001101437700 1024742090 /nfs/dbraw/zinc/74/20/90/1024742090.db2.gz KDGGZKBPZHLKMX-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001103269885 1027135624 /nfs/dbraw/zinc/13/56/24/1027135624.db2.gz TXMDSXFTAOMPQX-UYAOXDASSA-N 2 1 355.526 2.502 20 30 FFEDMP C[NH+]1CCN(c2ccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)cc2F)CC1 ZINC001159529453 1027423532 /nfs/dbraw/zinc/42/35/32/1027423532.db2.gz KEDZMLAANZIGAE-UHFFFAOYSA-N 2 1 365.456 2.880 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001111950833 1029789850 /nfs/dbraw/zinc/78/98/50/1029789850.db2.gz CTQJWNXFDZESFN-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CCCCC1 ZINC000841011277 1029973840 /nfs/dbraw/zinc/97/38/40/1029973840.db2.gz GUNZBQDWJYMMMG-LPHOPBHVSA-N 2 1 355.486 2.684 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112193141 1030201480 /nfs/dbraw/zinc/20/14/80/1030201480.db2.gz MRXQDIMEEGQROG-ZACQAIPSSA-N 2 1 369.431 2.844 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cccc(F)c1 ZINC001205419837 1031732250 /nfs/dbraw/zinc/73/22/50/1031732250.db2.gz ZZKRKELYYXVQDX-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(CCOC)C3)c1O ZINC001138627155 1034477301 /nfs/dbraw/zinc/47/73/01/1034477301.db2.gz YFYMNYDBCZSGIG-JOCHJYFZSA-N 2 1 374.525 2.682 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001227166650 1034957830 /nfs/dbraw/zinc/95/78/30/1034957830.db2.gz WEMFVPNOZSPTNK-WOJBJXKFSA-N 2 1 355.526 2.785 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707135 1035202857 /nfs/dbraw/zinc/20/28/57/1035202857.db2.gz RCPMWALOMJOVRG-UHFFFAOYSA-N 2 1 363.509 2.831 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(CCOC)C3)c1 ZINC001231622232 1037742885 /nfs/dbraw/zinc/74/28/85/1037742885.db2.gz TZHRJDUMNCINNZ-QFIPXVFZSA-N 2 1 374.525 2.812 20 30 FFEDMP C=CCN(CCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1)C(=O)OCC ZINC001209018038 1038634501 /nfs/dbraw/zinc/63/45/01/1038634501.db2.gz AEKGHSHRWYIZQI-CALCHBBNSA-N 2 1 363.527 2.756 20 30 FFEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC001246302803 1039304749 /nfs/dbraw/zinc/30/47/49/1039304749.db2.gz CQGFBSTUSCYZTJ-DNVCBOLYSA-N 2 1 351.450 2.842 20 30 FFEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246302803 1039304770 /nfs/dbraw/zinc/30/47/70/1039304770.db2.gz CQGFBSTUSCYZTJ-DNVCBOLYSA-N 2 1 351.450 2.842 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001278701217 1040018542 /nfs/dbraw/zinc/01/85/42/1040018542.db2.gz VAOUIIVHUSFAMQ-UHFFFAOYSA-N 2 1 357.498 2.775 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001278701217 1040018556 /nfs/dbraw/zinc/01/85/56/1040018556.db2.gz VAOUIIVHUSFAMQ-UHFFFAOYSA-N 2 1 357.498 2.775 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578219 1040689296 /nfs/dbraw/zinc/68/92/96/1040689296.db2.gz IOZVDJXEMGOJBD-RTBURBONSA-N 2 1 364.534 2.758 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578219 1040689300 /nfs/dbraw/zinc/68/93/00/1040689300.db2.gz IOZVDJXEMGOJBD-RTBURBONSA-N 2 1 364.534 2.758 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588425 1040693513 /nfs/dbraw/zinc/69/35/13/1040693513.db2.gz GJKJFJWNOKVLIM-GUDVDZBRSA-N 2 1 353.551 2.669 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588425 1040693518 /nfs/dbraw/zinc/69/35/18/1040693518.db2.gz GJKJFJWNOKVLIM-GUDVDZBRSA-N 2 1 353.551 2.669 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588425 1040693521 /nfs/dbraw/zinc/69/35/21/1040693521.db2.gz GJKJFJWNOKVLIM-GUDVDZBRSA-N 2 1 353.551 2.669 20 30 FFEDMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254659825 1040858833 /nfs/dbraw/zinc/85/88/33/1040858833.db2.gz SLERMMLWVHGXJH-HOJAQTOUSA-N 2 1 354.498 2.829 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213933588 1041085936 /nfs/dbraw/zinc/08/59/36/1041085936.db2.gz ALDJJEMRLBGTOY-VAMGGRTRSA-N 2 1 367.578 2.893 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974107 1041129492 /nfs/dbraw/zinc/12/94/92/1041129492.db2.gz ISVDCWLIBXCIKD-WOJBJXKFSA-N 2 1 365.562 2.814 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001264001770 1042575463 /nfs/dbraw/zinc/57/54/63/1042575463.db2.gz HMOGMIPYAHJTSH-COXVUDFISA-N 2 1 364.921 2.723 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001264071713 1042613970 /nfs/dbraw/zinc/61/39/70/1042613970.db2.gz LPORWVKIQDXHQY-LEWJYISDSA-N 2 1 368.525 2.903 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001264562795 1042717714 /nfs/dbraw/zinc/71/77/14/1042717714.db2.gz RTIZQBFAEUTOJE-APWZRJJASA-N 2 1 353.470 2.674 20 30 FFEDMP C=C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1ccccc1 ZINC001341681862 1050303910 /nfs/dbraw/zinc/30/39/10/1050303910.db2.gz XDIPWCKFZKRECI-DZFGPLHGSA-N 2 1 353.510 2.774 20 30 FFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001340263779 1050668783 /nfs/dbraw/zinc/66/87/83/1050668783.db2.gz ISPCSROMHPRLAQ-KSZLIROESA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c(CN2CCCC2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001340589661 1050975282 /nfs/dbraw/zinc/97/52/82/1050975282.db2.gz ZNQMQHBUFXRTLD-HKUYNNGSSA-N 2 1 370.545 2.513 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001336780690 1054220185 /nfs/dbraw/zinc/22/01/85/1054220185.db2.gz OGFBBTLJDOZFOD-KRWDZBQOSA-N 2 1 356.388 2.696 20 30 FFEDMP C[NH+](C)CC#CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001477552971 1061735358 /nfs/dbraw/zinc/73/53/58/1061735358.db2.gz ROHLNPBUCNXZAX-UHFFFAOYSA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479625255 1062639143 /nfs/dbraw/zinc/63/91/43/1062639143.db2.gz VWLVBEVQBLXVAQ-NJYVYQBISA-N 2 1 355.526 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479625255 1062639157 /nfs/dbraw/zinc/63/91/57/1062639157.db2.gz VWLVBEVQBLXVAQ-NJYVYQBISA-N 2 1 355.526 2.714 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575047474 1078100037 /nfs/dbraw/zinc/10/00/37/1078100037.db2.gz ASXAKMAFIKFPJL-OPYAIIAOSA-N 2 1 354.498 2.773 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575047474 1078100039 /nfs/dbraw/zinc/10/00/39/1078100039.db2.gz ASXAKMAFIKFPJL-OPYAIIAOSA-N 2 1 354.498 2.773 20 30 FFEDMP C#CC[C@H]1CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC001473581868 1065287850 /nfs/dbraw/zinc/28/78/50/1065287850.db2.gz QRCQXESCUUHEJS-NRFANRHFSA-N 2 1 367.537 2.765 20 30 FFEDMP C#CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001473581868 1065287858 /nfs/dbraw/zinc/28/78/58/1065287858.db2.gz QRCQXESCUUHEJS-NRFANRHFSA-N 2 1 367.537 2.765 20 30 FFEDMP C#CC[C@H]1CCC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001473581868 1065287867 /nfs/dbraw/zinc/28/78/67/1065287867.db2.gz QRCQXESCUUHEJS-NRFANRHFSA-N 2 1 367.537 2.765 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)sc2C1 ZINC001576758986 1078272135 /nfs/dbraw/zinc/27/21/35/1078272135.db2.gz OLKWBPACMYRRRY-KFWWJZLASA-N 2 1 372.538 2.614 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001566053138 1076880532 /nfs/dbraw/zinc/88/05/32/1076880532.db2.gz SVRZDXNTANPZFN-RTWAWAEBSA-N 2 1 368.525 2.570 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)CCC[NH2+]1 ZINC001574504491 1078004190 /nfs/dbraw/zinc/00/41/90/1078004190.db2.gz JHVJXHFENZQQBG-LMVRJCEZSA-N 2 1 353.510 2.642 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)CCC[NH2+]1 ZINC001574504491 1078004195 /nfs/dbraw/zinc/00/41/95/1078004195.db2.gz JHVJXHFENZQQBG-LMVRJCEZSA-N 2 1 353.510 2.642 20 30 FFEDMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000273259051 252265742 /nfs/dbraw/zinc/26/57/42/252265742.db2.gz MNGDJWLXQHFAKO-KRWDZBQOSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000273259051 252265747 /nfs/dbraw/zinc/26/57/47/252265747.db2.gz MNGDJWLXQHFAKO-KRWDZBQOSA-N 2 1 356.514 2.759 20 30 FFEDMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000291350796 257399493 /nfs/dbraw/zinc/39/94/93/257399493.db2.gz XUZGWPLZZBGCMO-GOSISDBHSA-N 2 1 371.529 2.504 20 30 FFEDMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000291350796 257399494 /nfs/dbraw/zinc/39/94/94/257399494.db2.gz XUZGWPLZZBGCMO-GOSISDBHSA-N 2 1 371.529 2.504 20 30 FFEDMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000291350796 257399495 /nfs/dbraw/zinc/39/94/95/257399495.db2.gz XUZGWPLZZBGCMO-GOSISDBHSA-N 2 1 371.529 2.504 20 30 FFEDMP C=CCN1CC[C@H]([N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000366847522 512215783 /nfs/dbraw/zinc/21/57/83/512215783.db2.gz SWJBYAYMUXTOLA-IBGZPJMESA-N 2 1 371.529 2.561 20 30 FFEDMP C=CCN1CC[C@H]([N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000366847522 512215787 /nfs/dbraw/zinc/21/57/87/512215787.db2.gz SWJBYAYMUXTOLA-IBGZPJMESA-N 2 1 371.529 2.561 20 30 FFEDMP CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000119267027 508761113 /nfs/dbraw/zinc/76/11/13/508761113.db2.gz MNJLKFDUMWOVDG-UHFFFAOYSA-N 2 1 364.497 2.512 20 30 FFEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000119267027 508761118 /nfs/dbraw/zinc/76/11/18/508761118.db2.gz MNJLKFDUMWOVDG-UHFFFAOYSA-N 2 1 364.497 2.512 20 30 FFEDMP C[NH+]=C(NC1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162031359 509170085 /nfs/dbraw/zinc/17/00/85/509170085.db2.gz HVCYNAFEVNXJGQ-UHFFFAOYSA-N 2 1 365.319 2.741 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179153268 509291204 /nfs/dbraw/zinc/29/12/04/509291204.db2.gz LAMFPMRMVMUBDM-VQTJNVASSA-N 2 1 356.514 2.772 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598489 509604019 /nfs/dbraw/zinc/60/40/19/509604019.db2.gz NVMIVLJRHPFZRB-FXAWDEMLSA-N 2 1 356.514 2.599 20 30 FFEDMP COc1cccc(NC(=[NH2+])NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000304753579 511758135 /nfs/dbraw/zinc/75/81/35/511758135.db2.gz LEBYBISBJUSXNI-UHFFFAOYSA-N 2 1 371.485 2.939 20 30 FFEDMP O=C(C[N@H+]1CC[C@H](n2ncc3ccccc32)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329354743 512031639 /nfs/dbraw/zinc/03/16/39/512031639.db2.gz VNNYEVOIWCMJSR-IBGZPJMESA-N 2 1 367.497 2.866 20 30 FFEDMP C[C@H](CCC#N)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000411328343 512582664 /nfs/dbraw/zinc/58/26/64/512582664.db2.gz JFJVJOJZVURJGH-GOSISDBHSA-N 2 1 356.514 2.639 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424172637 514406588 /nfs/dbraw/zinc/40/65/88/514406588.db2.gz NLPABJAYASMPLQ-XYPHTWIQSA-N 2 1 366.868 2.609 20 30 FFEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428210088 514423837 /nfs/dbraw/zinc/42/38/37/514423837.db2.gz HXTWIWUHXDIAGO-UHFFFAOYSA-N 2 1 374.504 2.613 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000499806327 515461332 /nfs/dbraw/zinc/46/13/32/515461332.db2.gz YDTFKJOZGQJYLY-MOPGFXCFSA-N 2 1 370.541 2.941 20 30 FFEDMP C=CCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000505789401 515672461 /nfs/dbraw/zinc/67/24/61/515672461.db2.gz KZBUOSCCOLMYRS-IBGZPJMESA-N 2 1 359.514 2.740 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000465667823 516224208 /nfs/dbraw/zinc/22/42/08/516224208.db2.gz RPBPKOLYOBHLTM-FXAWDEMLSA-N 2 1 371.529 2.677 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381301 516395914 /nfs/dbraw/zinc/39/59/14/516395914.db2.gz MCFKBKPICAMTAY-SVFBPWRDSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381301 516395919 /nfs/dbraw/zinc/39/59/19/516395919.db2.gz MCFKBKPICAMTAY-SVFBPWRDSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381301 516395928 /nfs/dbraw/zinc/39/59/28/516395928.db2.gz MCFKBKPICAMTAY-SVFBPWRDSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381301 516395933 /nfs/dbraw/zinc/39/59/33/516395933.db2.gz MCFKBKPICAMTAY-SVFBPWRDSA-N 2 1 371.525 2.884 20 30 FFEDMP CC[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826784 /nfs/dbraw/zinc/82/67/84/516826784.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826794 /nfs/dbraw/zinc/82/67/94/516826794.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826801 /nfs/dbraw/zinc/82/68/01/516826801.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 2 1 362.606 2.599 20 30 FFEDMP N#Cc1cnn2cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cnc12 ZINC000569605237 518205031 /nfs/dbraw/zinc/20/50/31/518205031.db2.gz GYWWFNWCOZHTTC-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567558 519020841 /nfs/dbraw/zinc/02/08/41/519020841.db2.gz UBJZICGDMLWCLM-CUWPLCDZSA-N 2 1 371.525 2.735 20 30 FFEDMP N#Cc1ccc(NC(=O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689851 519223245 /nfs/dbraw/zinc/22/32/45/519223245.db2.gz UJBHUJCPLSQFLU-SFTDATJTSA-N 2 1 374.488 2.951 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)cc1 ZINC000591309994 519583521 /nfs/dbraw/zinc/58/35/21/519583521.db2.gz XVDOZTDDPZSDMM-UHFFFAOYSA-N 2 1 363.465 2.757 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440546 519966210 /nfs/dbraw/zinc/96/62/10/519966210.db2.gz FCDRWXGLHSTBEE-XLIONFOSSA-N 2 1 356.514 2.946 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440642 519966640 /nfs/dbraw/zinc/96/66/40/519966640.db2.gz HGTPBUCSWOGKMT-XLIONFOSSA-N 2 1 356.514 2.946 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000600720642 520423446 /nfs/dbraw/zinc/42/34/46/520423446.db2.gz IMHQGCRMFOZJST-LEWJYISDSA-N 2 1 371.525 2.560 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000600736963 520435752 /nfs/dbraw/zinc/43/57/52/520435752.db2.gz TZDDNHIFVQYSQA-UWHLTILDSA-N 2 1 353.510 2.931 20 30 FFEDMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593339302 520921619 /nfs/dbraw/zinc/92/16/19/520921619.db2.gz HFRIEBXOUWACRY-QGZVFWFLSA-N 2 1 371.529 2.552 20 30 FFEDMP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000599284415 521126906 /nfs/dbraw/zinc/12/69/06/521126906.db2.gz SVHJUGRUZWYFGG-PMACEKPBSA-N 2 1 363.546 2.646 20 30 FFEDMP C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000593882656 521270177 /nfs/dbraw/zinc/27/01/77/521270177.db2.gz JMFDZNOEOJOYET-FGTMMUONSA-N 2 1 368.525 2.900 20 30 FFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC[C@@H](C)C3)CC2)cs1 ZINC000262518391 729667810 /nfs/dbraw/zinc/66/78/10/729667810.db2.gz HKVOPITZSHQJDK-OAHLLOKOSA-N 2 1 363.575 2.964 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)c(Br)c1 ZINC000303892025 729735404 /nfs/dbraw/zinc/73/54/04/729735404.db2.gz RDOCOZIQWNZFOW-CYBMUJFWSA-N 2 1 371.298 2.519 20 30 FFEDMP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000879250239 732672543 /nfs/dbraw/zinc/67/25/43/732672543.db2.gz QFVWKBBXEAIARF-INIZCTEOSA-N 2 1 358.511 2.533 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001104793884 970835539 /nfs/dbraw/zinc/83/55/39/970835539.db2.gz NBQYXSCAXHYMGW-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001275863124 1013113492 /nfs/dbraw/zinc/11/34/92/1013113492.db2.gz WMVBFAXFMHQHOU-OAQYLSRUSA-N 2 1 361.530 2.526 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@H+](Cc1scnc1C)C2 ZINC001275873353 1013124030 /nfs/dbraw/zinc/12/40/30/1013124030.db2.gz WFMYDNJTPUJNLZ-UHFFFAOYSA-N 2 1 374.554 2.528 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880734 1013130933 /nfs/dbraw/zinc/13/09/33/1013130933.db2.gz WAZAKZFGCWZHED-XMSQKQJNSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880734 1013130937 /nfs/dbraw/zinc/13/09/37/1013130937.db2.gz WAZAKZFGCWZHED-XMSQKQJNSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880734 1013130941 /nfs/dbraw/zinc/13/09/41/1013130941.db2.gz WAZAKZFGCWZHED-XMSQKQJNSA-N 2 1 353.510 2.895 20 30 FFEDMP C=CC[C@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCC1(C)C ZINC000683559610 961039081 /nfs/dbraw/zinc/03/90/81/961039081.db2.gz PHXWWJJMFRSSBI-IEBWSBKVSA-N 2 1 362.562 2.931 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290982 962332993 /nfs/dbraw/zinc/33/29/93/962332993.db2.gz HIBHABMAEVKXSG-FVQBIDKESA-N 2 1 350.894 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C/CCC)C1 ZINC001104306059 962892086 /nfs/dbraw/zinc/89/20/86/962892086.db2.gz IVGDXZBFYWSGRL-VWQQXTOVSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C/CCC)C1 ZINC001104306059 962892101 /nfs/dbraw/zinc/89/21/01/962892101.db2.gz IVGDXZBFYWSGRL-VWQQXTOVSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C)c2)C1 ZINC001104306042 962892649 /nfs/dbraw/zinc/89/26/49/962892649.db2.gz HXVHFFZUTHYGMW-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C)c2)C1 ZINC001104306042 962892662 /nfs/dbraw/zinc/89/26/62/962892662.db2.gz HXVHFFZUTHYGMW-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261942227 964787072 /nfs/dbraw/zinc/78/70/72/964787072.db2.gz DUHMRPIJVFZRAB-FHWLQOOXSA-N 3 1 360.550 2.606 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101868 965773714 /nfs/dbraw/zinc/77/37/14/965773714.db2.gz PKGCNCMVHPINGU-CBGDNZLLSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(C)C(=O)NCCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167666969 967401746 /nfs/dbraw/zinc/40/17/46/967401746.db2.gz DKEYTRUWQCKBCG-QGZVFWFLSA-N 2 1 355.486 2.845 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650706444 967544925 /nfs/dbraw/zinc/54/49/25/967544925.db2.gz KUJFKYUQVRFOAF-IPMKNSEASA-N 2 1 360.498 2.848 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615892 968027098 /nfs/dbraw/zinc/02/70/98/968027098.db2.gz LLWWBBIKMVMZSY-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262459850 968176171 /nfs/dbraw/zinc/17/61/71/968176171.db2.gz MCRNDONGGPSBQM-VQTJNVASSA-N 3 1 363.594 2.633 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087569662 968191612 /nfs/dbraw/zinc/19/16/12/968191612.db2.gz HEGJOMHMZKKHET-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001087569662 968191617 /nfs/dbraw/zinc/19/16/17/968191617.db2.gz HEGJOMHMZKKHET-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccccc1C#N ZINC001087569662 968191622 /nfs/dbraw/zinc/19/16/22/968191622.db2.gz HEGJOMHMZKKHET-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccccc1C#N ZINC001087569662 968191627 /nfs/dbraw/zinc/19/16/27/968191627.db2.gz HEGJOMHMZKKHET-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167400 973291445 /nfs/dbraw/zinc/29/14/45/973291445.db2.gz WVGCNVPTSMBGBH-XQBPLPMBSA-N 2 1 355.526 2.820 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087455261 977779760 /nfs/dbraw/zinc/77/97/60/977779760.db2.gz JYWGPWWVIAIEOY-QHAWAJNXSA-N 2 1 371.500 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001087458281 977920899 /nfs/dbraw/zinc/92/08/99/977920899.db2.gz ULTLDBAOHJTHRL-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087458281 977920905 /nfs/dbraw/zinc/92/09/05/977920905.db2.gz ULTLDBAOHJTHRL-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087458281 977920911 /nfs/dbraw/zinc/92/09/11/977920911.db2.gz ULTLDBAOHJTHRL-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087458281 977920917 /nfs/dbraw/zinc/92/09/17/977920917.db2.gz ULTLDBAOHJTHRL-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3C[NH3+])CC2)cc1 ZINC000904664149 980323069 /nfs/dbraw/zinc/32/30/69/980323069.db2.gz FBUDFGIJMSUBDE-UHFFFAOYSA-N 2 1 363.465 2.757 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000905710384 980494069 /nfs/dbraw/zinc/49/40/69/980494069.db2.gz XBGAWNSHFHOUFB-PLACYPQZSA-N 2 1 353.510 2.931 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2C)[C@@H]1C ZINC001088631839 982041757 /nfs/dbraw/zinc/04/17/57/982041757.db2.gz IWXZCKBDQLNMSG-HJNYFJLDSA-N 2 1 367.537 2.604 20 30 FFEDMP Cc1ccc(CNC(NC(C)(C)C)=[NH+]CCC[NH+]2CCOCC2)c(C)c1 ZINC000912499157 984049914 /nfs/dbraw/zinc/04/99/14/984049914.db2.gz MQOOBTBRQXMAKC-UHFFFAOYSA-N 2 1 360.546 2.859 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550043 984666921 /nfs/dbraw/zinc/66/69/21/984666921.db2.gz LQFJKATWCBYSMS-DUXKGJEZSA-N 2 1 363.521 2.583 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550043 984666928 /nfs/dbraw/zinc/66/69/28/984666928.db2.gz LQFJKATWCBYSMS-DUXKGJEZSA-N 2 1 363.521 2.583 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550043 984666934 /nfs/dbraw/zinc/66/69/34/984666934.db2.gz LQFJKATWCBYSMS-DUXKGJEZSA-N 2 1 363.521 2.583 20 30 FFEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609160 984798764 /nfs/dbraw/zinc/79/87/64/984798764.db2.gz FTMHTJWDRQSNHR-TZIWHRDSSA-N 2 1 365.562 2.672 20 30 FFEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997315395 985357826 /nfs/dbraw/zinc/35/78/26/985357826.db2.gz DIIZELDYMZGUDT-QIJUGHKUSA-N 2 1 367.537 2.572 20 30 FFEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954340 985413661 /nfs/dbraw/zinc/41/36/61/985413661.db2.gz OKQVEGAMLOKZIT-GGPKGHCWSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954340 985413667 /nfs/dbraw/zinc/41/36/67/985413667.db2.gz OKQVEGAMLOKZIT-GGPKGHCWSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954340 985413676 /nfs/dbraw/zinc/41/36/76/985413676.db2.gz OKQVEGAMLOKZIT-GGPKGHCWSA-N 2 1 353.551 2.504 20 30 FFEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1OC ZINC000922388392 988533623 /nfs/dbraw/zinc/53/36/23/988533623.db2.gz PLGQMEKKDRUPHU-RPHTVSPISA-N 2 1 374.525 2.829 20 30 FFEDMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569367 1015591140 /nfs/dbraw/zinc/59/11/40/1015591140.db2.gz OBFFKPJPECFWSQ-PBHICJAKSA-N 2 1 372.538 2.853 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000923365082 991094639 /nfs/dbraw/zinc/09/46/39/991094639.db2.gz SEJXPGRGNPTPAH-XUVXKRRUSA-N 2 1 374.525 2.627 20 30 FFEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483946787 991285856 /nfs/dbraw/zinc/28/58/56/991285856.db2.gz GEBKVUGRMFORFM-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1F ZINC001079321745 991997632 /nfs/dbraw/zinc/99/76/32/991997632.db2.gz AKDHWIMNQPLBBR-FUHWJXTLSA-N 2 1 365.880 2.558 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3F)C[C@H]2C)CC1 ZINC001080992400 993543185 /nfs/dbraw/zinc/54/31/85/993543185.db2.gz IYDNEDNRMKBACB-CBGDNZLLSA-N 2 1 371.500 2.668 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2C)CC1 ZINC001080997462 993547874 /nfs/dbraw/zinc/54/78/74/993547874.db2.gz DZYJTOHTDBKBTB-XQBPLPMBSA-N 2 1 367.537 2.838 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001081179788 993739285 /nfs/dbraw/zinc/73/92/85/993739285.db2.gz KDOJKRRROJUMCB-NZSAHSFTSA-N 2 1 361.917 2.807 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082782735 995489685 /nfs/dbraw/zinc/48/96/85/995489685.db2.gz NUZMNXGPYXUMFX-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001054203069 1015967725 /nfs/dbraw/zinc/96/77/25/1015967725.db2.gz PYKAGGOCGRSLPH-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001054203069 1015967732 /nfs/dbraw/zinc/96/77/32/1015967732.db2.gz PYKAGGOCGRSLPH-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001054203069 1015967736 /nfs/dbraw/zinc/96/77/36/1015967736.db2.gz PYKAGGOCGRSLPH-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3=CCCCC3)C[C@H]21 ZINC001084417766 996517326 /nfs/dbraw/zinc/51/73/26/996517326.db2.gz COPUWWDYNNOALH-QHAWAJNXSA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3=CCCCC3)C[C@H]21 ZINC001084417766 996517333 /nfs/dbraw/zinc/51/73/33/996517333.db2.gz COPUWWDYNNOALH-QHAWAJNXSA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001084417766 996517337 /nfs/dbraw/zinc/51/73/37/996517337.db2.gz COPUWWDYNNOALH-QHAWAJNXSA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001084417766 996517341 /nfs/dbraw/zinc/51/73/41/996517341.db2.gz COPUWWDYNNOALH-QHAWAJNXSA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000730286399 997045987 /nfs/dbraw/zinc/04/59/87/997045987.db2.gz MPSAFEHKFPOISJ-FQEVSTJZSA-N 2 1 373.928 2.766 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000730286399 997046000 /nfs/dbraw/zinc/04/60/00/997046000.db2.gz MPSAFEHKFPOISJ-FQEVSTJZSA-N 2 1 373.928 2.766 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC001171072634 997164606 /nfs/dbraw/zinc/16/46/06/997164606.db2.gz PYILQRKTRVAANM-KRWDZBQOSA-N 2 1 357.454 2.612 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014710 998676582 /nfs/dbraw/zinc/67/65/82/998676582.db2.gz XXBRRNRHWYFHRF-NRSPTQNISA-N 2 1 357.542 2.730 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014710 998676586 /nfs/dbraw/zinc/67/65/86/998676586.db2.gz XXBRRNRHWYFHRF-NRSPTQNISA-N 2 1 357.542 2.730 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014710 998676589 /nfs/dbraw/zinc/67/65/89/998676589.db2.gz XXBRRNRHWYFHRF-NRSPTQNISA-N 2 1 357.542 2.730 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001085229801 999215982 /nfs/dbraw/zinc/21/59/82/999215982.db2.gz LAWAYTWOTJYYQX-NJYVYQBISA-N 2 1 353.510 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001085229801 999215989 /nfs/dbraw/zinc/21/59/89/999215989.db2.gz LAWAYTWOTJYYQX-NJYVYQBISA-N 2 1 353.510 2.610 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085245227 999243625 /nfs/dbraw/zinc/24/36/25/999243625.db2.gz POWLMKQWRSQYBL-VAMGGRTRSA-N 2 1 354.498 2.560 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085331807 999376278 /nfs/dbraw/zinc/37/62/78/999376278.db2.gz AOVLEYSJGSRXNL-IIDMSEBBSA-N 2 1 359.917 2.968 20 30 FFEDMP COc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C#N ZINC000742369562 999772240 /nfs/dbraw/zinc/77/22/40/999772240.db2.gz KUHASIBVLPRWJE-OAQYLSRUSA-N 2 1 364.493 2.645 20 30 FFEDMP C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276166794 1016442869 /nfs/dbraw/zinc/44/28/69/1016442869.db2.gz NKIYTFVGDUHTOD-OAQYLSRUSA-N 2 1 350.466 2.791 20 30 FFEDMP C=CCN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1=O ZINC001276166794 1016442878 /nfs/dbraw/zinc/44/28/78/1016442878.db2.gz NKIYTFVGDUHTOD-OAQYLSRUSA-N 2 1 350.466 2.791 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902414 1001139581 /nfs/dbraw/zinc/13/95/81/1001139581.db2.gz HGBUKBCUSBTHHO-HOJAQTOUSA-N 2 1 363.546 2.565 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112561187 1001478723 /nfs/dbraw/zinc/47/87/23/1001478723.db2.gz KXLMSROTZYSGQY-ONTIZHBOSA-N 2 1 359.558 2.883 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091844985 1001938054 /nfs/dbraw/zinc/93/80/54/1001938054.db2.gz AVIOCGCISVBNNR-UTKZUKDTSA-N 2 1 365.481 2.627 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086589090 1002436977 /nfs/dbraw/zinc/43/69/77/1002436977.db2.gz HKBYCXBXYKAGJV-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001086589090 1002436985 /nfs/dbraw/zinc/43/69/85/1002436985.db2.gz HKBYCXBXYKAGJV-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001086589090 1002436992 /nfs/dbraw/zinc/43/69/92/1002436992.db2.gz HKBYCXBXYKAGJV-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@]2(C)C1 ZINC001092312868 1002658541 /nfs/dbraw/zinc/65/85/41/1002658541.db2.gz JQNKAYDTEWLQDG-UTKZUKDTSA-N 2 1 357.498 2.539 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001086609554 1003209787 /nfs/dbraw/zinc/20/97/87/1003209787.db2.gz LZVAAJWBEDNNSH-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609554 1003209794 /nfs/dbraw/zinc/20/97/94/1003209794.db2.gz LZVAAJWBEDNNSH-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609554 1003209800 /nfs/dbraw/zinc/20/98/00/1003209800.db2.gz LZVAAJWBEDNNSH-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001086615560 1003439619 /nfs/dbraw/zinc/43/96/19/1003439619.db2.gz GXEGOZPEHPGOJX-LEWJYISDSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086619980 1003548830 /nfs/dbraw/zinc/54/88/30/1003548830.db2.gz RLMIVQSQJVDCRP-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086619980 1003548835 /nfs/dbraw/zinc/54/88/35/1003548835.db2.gz RLMIVQSQJVDCRP-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086619980 1003548846 /nfs/dbraw/zinc/54/88/46/1003548846.db2.gz RLMIVQSQJVDCRP-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001086720785 1006256985 /nfs/dbraw/zinc/25/69/85/1006256985.db2.gz OCTIAOIMTNGWAL-WMQCIHAUSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001086720785 1006256997 /nfs/dbraw/zinc/25/69/97/1006256997.db2.gz OCTIAOIMTNGWAL-WMQCIHAUSA-N 2 1 371.500 2.606 20 30 FFEDMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886671777 1008808757 /nfs/dbraw/zinc/80/87/57/1008808757.db2.gz CTTQLJHZTIKFIM-GOSISDBHSA-N 2 1 354.454 2.518 20 30 FFEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cccc(C#N)c1)CC2 ZINC001094380831 1011085871 /nfs/dbraw/zinc/08/58/71/1011085871.db2.gz XWMQICVYSRZOSK-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001094380831 1011085878 /nfs/dbraw/zinc/08/58/78/1011085878.db2.gz XWMQICVYSRZOSK-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001094380831 1011085880 /nfs/dbraw/zinc/08/58/80/1011085880.db2.gz XWMQICVYSRZOSK-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971058 1012139229 /nfs/dbraw/zinc/13/92/29/1012139229.db2.gz LNPSYQKGZVQFPX-SJORKVTESA-N 2 1 352.523 2.990 20 30 FFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000303983294 1012552262 /nfs/dbraw/zinc/55/22/62/1012552262.db2.gz RAJJLFOPSDTCOV-LPHOPBHVSA-N 2 1 373.545 2.869 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001097718784 1017838810 /nfs/dbraw/zinc/83/88/10/1017838810.db2.gz QCXAUJAUFFDCNE-FSIJUFHLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001097718784 1017838828 /nfs/dbraw/zinc/83/88/28/1017838828.db2.gz QCXAUJAUFFDCNE-FSIJUFHLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001097718784 1017838850 /nfs/dbraw/zinc/83/88/50/1017838850.db2.gz QCXAUJAUFFDCNE-FSIJUFHLSA-N 2 1 366.509 2.510 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cncc(C#N)c3)CC2)CC1 ZINC000929810020 1019667821 /nfs/dbraw/zinc/66/78/21/1019667821.db2.gz OZRHQMATOQKSNS-UHFFFAOYSA-N 2 1 355.530 2.581 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N(CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000900703889 1020601834 /nfs/dbraw/zinc/60/18/34/1020601834.db2.gz QRARAAUGVPCWHP-UHFFFAOYSA-N 2 1 373.545 2.809 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN3CCCC3)on1)C2 ZINC001111023364 1020701718 /nfs/dbraw/zinc/70/17/18/1020701718.db2.gz GRWXRMPYYXZICP-CIWUYKSXSA-N 2 1 372.513 2.960 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023364 1020701725 /nfs/dbraw/zinc/70/17/25/1020701725.db2.gz GRWXRMPYYXZICP-CIWUYKSXSA-N 2 1 372.513 2.960 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023364 1020701732 /nfs/dbraw/zinc/70/17/32/1020701732.db2.gz GRWXRMPYYXZICP-CIWUYKSXSA-N 2 1 372.513 2.960 20 30 FFEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2=O)cc1 ZINC000903148144 1020703928 /nfs/dbraw/zinc/70/39/28/1020703928.db2.gz XMZALBQWKAUVIT-DTHFOOOUSA-N 2 1 364.493 2.801 20 30 FFEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2=O)cc1 ZINC000903148144 1020703937 /nfs/dbraw/zinc/70/39/37/1020703937.db2.gz XMZALBQWKAUVIT-DTHFOOOUSA-N 2 1 364.493 2.801 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098836957 1021215253 /nfs/dbraw/zinc/21/52/53/1021215253.db2.gz KDRBVKWCJNTABV-DXIQSLLYSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098836957 1021215264 /nfs/dbraw/zinc/21/52/64/1021215264.db2.gz KDRBVKWCJNTABV-DXIQSLLYSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098836957 1021215274 /nfs/dbraw/zinc/21/52/74/1021215274.db2.gz KDRBVKWCJNTABV-DXIQSLLYSA-N 2 1 357.542 2.635 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000935271234 1021643045 /nfs/dbraw/zinc/64/30/45/1021643045.db2.gz RFFZIYQGPSVJJB-IBGZPJMESA-N 2 1 354.498 2.534 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC2CCC2)C3)CC1 ZINC001099174064 1022000415 /nfs/dbraw/zinc/00/04/15/1022000415.db2.gz BTOFIFHVKXHJOI-GMAHTHKFSA-N 2 1 371.569 2.883 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250436 1022164744 /nfs/dbraw/zinc/16/47/44/1022164744.db2.gz MGBMKFBJTKBTFR-MCIONIFRSA-N 2 1 367.843 2.591 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250436 1022164746 /nfs/dbraw/zinc/16/47/46/1022164746.db2.gz MGBMKFBJTKBTFR-MCIONIFRSA-N 2 1 367.843 2.591 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C(F)(F)F ZINC001099252817 1022166613 /nfs/dbraw/zinc/16/66/13/1022166613.db2.gz BJBLQLXCRVARIT-MGPQQGTHSA-N 2 1 358.408 2.562 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC ZINC001222601901 1033062544 /nfs/dbraw/zinc/06/25/44/1033062544.db2.gz CMGNVYIRECKRCK-FQEVSTJZSA-N 2 1 362.473 2.896 20 30 FFEDMP C#CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC ZINC001222601901 1033062563 /nfs/dbraw/zinc/06/25/63/1033062563.db2.gz CMGNVYIRECKRCK-FQEVSTJZSA-N 2 1 362.473 2.896 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000948385878 1023246868 /nfs/dbraw/zinc/24/68/68/1023246868.db2.gz QIERDOQEVZZKRI-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000948385878 1023246877 /nfs/dbraw/zinc/24/68/77/1023246877.db2.gz QIERDOQEVZZKRI-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000948385878 1023246885 /nfs/dbraw/zinc/24/68/85/1023246885.db2.gz QIERDOQEVZZKRI-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298062 1023302054 /nfs/dbraw/zinc/30/20/54/1023302054.db2.gz FGTOGXHLQHFFBN-PZJWPPBQSA-N 2 1 367.537 2.749 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507716 1026161334 /nfs/dbraw/zinc/16/13/34/1026161334.db2.gz LEIHUUSIRWLKQQ-WOJBJXKFSA-N 2 1 367.578 2.775 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001103098750 1026960244 /nfs/dbraw/zinc/96/02/44/1026960244.db2.gz IJFOQBTWDMCKDL-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001103098750 1026960251 /nfs/dbraw/zinc/96/02/51/1026960251.db2.gz IJFOQBTWDMCKDL-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2ccccc2C)C[C@H]1C ZINC001103098750 1026960257 /nfs/dbraw/zinc/96/02/57/1026960257.db2.gz IJFOQBTWDMCKDL-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2ccccc2C)C[C@H]1C ZINC001103098750 1026960263 /nfs/dbraw/zinc/96/02/63/1026960263.db2.gz IJFOQBTWDMCKDL-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP N#Cc1c(Cl)c2ccc(F)cc2nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160517380 1027735011 /nfs/dbraw/zinc/73/50/11/1027735011.db2.gz PNPHXNPRILYZLW-SFHVURJKSA-N 2 1 359.836 2.734 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732580 1028097486 /nfs/dbraw/zinc/09/74/86/1028097486.db2.gz HUQJDZXVUCRXDL-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394080 1028716781 /nfs/dbraw/zinc/71/67/81/1028716781.db2.gz BWMRIXCILULZDW-QRQLOZEOSA-N 2 1 363.933 2.911 20 30 FFEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001155394080 1028716797 /nfs/dbraw/zinc/71/67/97/1028716797.db2.gz BWMRIXCILULZDW-QRQLOZEOSA-N 2 1 363.933 2.911 20 30 FFEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001155394080 1028716810 /nfs/dbraw/zinc/71/68/10/1028716810.db2.gz BWMRIXCILULZDW-QRQLOZEOSA-N 2 1 363.933 2.911 20 30 FFEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001155394080 1028716825 /nfs/dbraw/zinc/71/68/25/1028716825.db2.gz BWMRIXCILULZDW-QRQLOZEOSA-N 2 1 363.933 2.911 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001111807856 1029510045 /nfs/dbraw/zinc/51/00/45/1029510045.db2.gz JCCYSFZIZGFTRP-UWJYYQICSA-N 2 1 356.514 2.699 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001111807856 1029510055 /nfs/dbraw/zinc/51/00/55/1029510055.db2.gz JCCYSFZIZGFTRP-UWJYYQICSA-N 2 1 356.514 2.699 20 30 FFEDMP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124652 1029739153 /nfs/dbraw/zinc/73/91/53/1029739153.db2.gz QRGVCHMNIVQLQQ-VAMGGRTRSA-N 2 1 367.578 2.989 20 30 FFEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124652 1029739159 /nfs/dbraw/zinc/73/91/59/1029739159.db2.gz QRGVCHMNIVQLQQ-VAMGGRTRSA-N 2 1 367.578 2.989 20 30 FFEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124652 1029739165 /nfs/dbraw/zinc/73/91/65/1029739165.db2.gz QRGVCHMNIVQLQQ-VAMGGRTRSA-N 2 1 367.578 2.989 20 30 FFEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124652 1029739170 /nfs/dbraw/zinc/73/91/70/1029739170.db2.gz QRGVCHMNIVQLQQ-VAMGGRTRSA-N 2 1 367.578 2.989 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070885 1029935057 /nfs/dbraw/zinc/93/50/57/1029935057.db2.gz JOOZTMJRWNBKTE-OAGGEKHMSA-N 2 1 361.452 2.806 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112114381 1030037343 /nfs/dbraw/zinc/03/73/43/1030037343.db2.gz OIQANEXCAFTRHC-KFWWJZLASA-N 2 1 370.419 2.706 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112115966 1030039914 /nfs/dbraw/zinc/03/99/14/1030039914.db2.gz AZKSTGDRUHRKBN-NUEKZKHPSA-N 2 1 361.452 2.804 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001112359649 1030651345 /nfs/dbraw/zinc/65/13/45/1030651345.db2.gz CPJYTTHFBZTNGO-WFXMLNOXSA-N 2 1 356.514 2.638 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112380338 1030706145 /nfs/dbraw/zinc/70/61/45/1030706145.db2.gz CDNPUBMLCJPUSR-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)C1 ZINC001205000450 1031485134 /nfs/dbraw/zinc/48/51/34/1031485134.db2.gz FINMSEMFKBHVLM-NRFANRHFSA-N 2 1 361.530 2.877 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1F ZINC001205686060 1031936180 /nfs/dbraw/zinc/93/61/80/1031936180.db2.gz PVTDSLHFSPOUPE-TYPHKJRUSA-N 2 1 371.500 2.607 20 30 FFEDMP C[C@H](C#N)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871060 1033389904 /nfs/dbraw/zinc/38/99/04/1033389904.db2.gz GWRSSLCHVUYQSU-DYESRHJHSA-N 2 1 374.488 2.974 20 30 FFEDMP C[C@H](C#N)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871060 1033389917 /nfs/dbraw/zinc/38/99/17/1033389917.db2.gz GWRSSLCHVUYQSU-DYESRHJHSA-N 2 1 374.488 2.974 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002818 1033454010 /nfs/dbraw/zinc/45/40/10/1033454010.db2.gz DYBOVTUVXKLQOP-RBUKOAKNSA-N 2 1 353.551 2.600 20 30 FFEDMP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917195 1034459076 /nfs/dbraw/zinc/45/90/76/1034459076.db2.gz QTGDQRZKDOEBKZ-SFTDATJTSA-N 2 1 368.525 2.589 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096004 1034543463 /nfs/dbraw/zinc/54/34/63/1034543463.db2.gz MGKSMQQUPUJTOW-HSALFYBXSA-N 2 1 367.578 2.629 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659500 1034959469 /nfs/dbraw/zinc/95/94/69/1034959469.db2.gz REQIBSDJCPHSNO-NLWGTHIKSA-N 2 1 356.514 2.795 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693197 1034989492 /nfs/dbraw/zinc/98/94/92/1034989492.db2.gz GQYASDITLRZUNE-SQGPQFPESA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693197 1034989499 /nfs/dbraw/zinc/98/94/99/1034989499.db2.gz GQYASDITLRZUNE-SQGPQFPESA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221940291 1035168761 /nfs/dbraw/zinc/16/87/61/1035168761.db2.gz DJXGXGHYDXSWCR-WOJBJXKFSA-N 2 1 365.562 2.624 20 30 FFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001277281994 1036015603 /nfs/dbraw/zinc/01/56/03/1036015603.db2.gz JCFCWZABVBRBMH-FQEVSTJZSA-N 2 1 351.454 2.824 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000836447399 1036555030 /nfs/dbraw/zinc/55/50/30/1036555030.db2.gz XVOCNCNOPKTDDI-FQEVSTJZSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000836447399 1036555047 /nfs/dbraw/zinc/55/50/47/1036555047.db2.gz XVOCNCNOPKTDDI-FQEVSTJZSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000836447399 1036555061 /nfs/dbraw/zinc/55/50/61/1036555061.db2.gz XVOCNCNOPKTDDI-FQEVSTJZSA-N 2 1 370.541 2.541 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001229339926 1036621742 /nfs/dbraw/zinc/62/17/42/1036621742.db2.gz CHWOUYOLFLUUDR-RTBURBONSA-N 2 1 353.470 2.864 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001277840439 1036966127 /nfs/dbraw/zinc/96/61/27/1036966127.db2.gz FWHKPAOSIOZFSP-VAMGGRTRSA-N 2 1 365.562 2.501 20 30 FFEDMP C=CCN(CC[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)C(=O)OCC ZINC001235348111 1037493559 /nfs/dbraw/zinc/49/35/59/1037493559.db2.gz AFZQUKIEYISZOJ-TZIWHRDSSA-N 2 1 357.498 2.710 20 30 FFEDMP C=CCN(CC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)C(=O)OCC ZINC001235348111 1037493570 /nfs/dbraw/zinc/49/35/70/1037493570.db2.gz AFZQUKIEYISZOJ-TZIWHRDSSA-N 2 1 357.498 2.710 20 30 FFEDMP C=CCN(CC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1)C(=O)OCC ZINC001235367371 1037510289 /nfs/dbraw/zinc/51/02/89/1037510289.db2.gz SMOKUURCXBEWGW-IRLDBZIGSA-N 2 1 371.525 2.884 20 30 FFEDMP C=CCN(CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1)C(=O)OCC ZINC001235367371 1037510301 /nfs/dbraw/zinc/51/03/01/1037510301.db2.gz SMOKUURCXBEWGW-IRLDBZIGSA-N 2 1 371.525 2.884 20 30 FFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)CCO2 ZINC001235610106 1037643577 /nfs/dbraw/zinc/64/35/77/1037643577.db2.gz PQXKFNQVJOCCSI-FCHUYYIVSA-N 2 1 356.510 2.906 20 30 FFEDMP C(#Cc1ccc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)cc1)c1ccccc1 ZINC001235697951 1037693938 /nfs/dbraw/zinc/69/39/38/1037693938.db2.gz DTHUVDGAJICIFN-UHFFFAOYSA-N 2 1 359.517 2.956 20 30 FFEDMP C#CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCc2ccccc21 ZINC001235834974 1037778350 /nfs/dbraw/zinc/77/83/50/1037778350.db2.gz RYPVADUYWJEVFH-JOCHJYFZSA-N 2 1 361.489 2.925 20 30 FFEDMP N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c(F)c1 ZINC001236059275 1037910090 /nfs/dbraw/zinc/91/00/90/1037910090.db2.gz DSZGOQUQOJDIBT-UHFFFAOYSA-N 2 1 350.441 2.665 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC23CCN(CCc2ccc(C#N)cc2)CC3)cn1 ZINC001208923049 1038590522 /nfs/dbraw/zinc/59/05/22/1038590522.db2.gz NTPPJGRTRTVOIK-UHFFFAOYSA-N 2 1 363.509 2.965 20 30 FFEDMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CCc2ccc(C#N)cc2)CC3)cn1 ZINC001208923049 1038590525 /nfs/dbraw/zinc/59/05/25/1038590525.db2.gz NTPPJGRTRTVOIK-UHFFFAOYSA-N 2 1 363.509 2.965 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC23CC[NH+](CCc2ccc(C#N)cc2)CC3)cn1 ZINC001208923049 1038590533 /nfs/dbraw/zinc/59/05/33/1038590533.db2.gz NTPPJGRTRTVOIK-UHFFFAOYSA-N 2 1 363.509 2.965 20 30 FFEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC001254348971 1040681063 /nfs/dbraw/zinc/68/10/63/1040681063.db2.gz FMYQVSCTMCPAFT-CBNMVNINSA-N 2 1 356.489 2.542 20 30 FFEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001254529192 1040782147 /nfs/dbraw/zinc/78/21/47/1040782147.db2.gz FIBNVYDRPIPOQK-IBGZPJMESA-N 2 1 355.486 2.628 20 30 FFEDMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CC[C@@H](C#N)C3)O2)CC1 ZINC001254665304 1040866966 /nfs/dbraw/zinc/86/69/66/1040866966.db2.gz ZRAWNWCFBLASEZ-PFAUGDHASA-N 2 1 361.530 2.659 20 30 FFEDMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001215934476 1041912052 /nfs/dbraw/zinc/91/20/52/1041912052.db2.gz VLDJYGHPBAYBDQ-RDTXWAMCSA-N 2 1 371.510 2.542 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001262971018 1041998903 /nfs/dbraw/zinc/99/89/03/1041998903.db2.gz YOLJJDBZHGEBSB-ZWKOTPCHSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001262971018 1041998911 /nfs/dbraw/zinc/99/89/11/1041998911.db2.gz YOLJJDBZHGEBSB-ZWKOTPCHSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001262971018 1041998914 /nfs/dbraw/zinc/99/89/14/1041998914.db2.gz YOLJJDBZHGEBSB-ZWKOTPCHSA-N 2 1 372.561 2.584 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264447951 1042675874 /nfs/dbraw/zinc/67/58/74/1042675874.db2.gz PNYZDLWYOFOIQH-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264447951 1042675876 /nfs/dbraw/zinc/67/58/76/1042675876.db2.gz PNYZDLWYOFOIQH-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001279371768 1043033512 /nfs/dbraw/zinc/03/35/12/1043033512.db2.gz CAPMPSWNVIBQQT-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140459 1043336404 /nfs/dbraw/zinc/33/64/04/1043336404.db2.gz LSBQOIKYCQIBTE-ZVDOUQERSA-N 2 1 354.498 2.733 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140459 1043336413 /nfs/dbraw/zinc/33/64/13/1043336413.db2.gz LSBQOIKYCQIBTE-ZVDOUQERSA-N 2 1 354.498 2.733 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140459 1043336428 /nfs/dbraw/zinc/33/64/28/1043336428.db2.gz LSBQOIKYCQIBTE-ZVDOUQERSA-N 2 1 354.498 2.733 20 30 FFEDMP CCCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001279866915 1043799356 /nfs/dbraw/zinc/79/93/56/1043799356.db2.gz VEAICDHRFBESHP-LJQANCHMSA-N 2 1 365.562 2.743 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316721625 1044833242 /nfs/dbraw/zinc/83/32/42/1044833242.db2.gz NSLIJVMWTFTNNI-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001316721625 1044833260 /nfs/dbraw/zinc/83/32/60/1044833260.db2.gz NSLIJVMWTFTNNI-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001316721625 1044833278 /nfs/dbraw/zinc/83/32/78/1044833278.db2.gz NSLIJVMWTFTNNI-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001316721625 1044833296 /nfs/dbraw/zinc/83/32/96/1044833296.db2.gz NSLIJVMWTFTNNI-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319609883 1045213176 /nfs/dbraw/zinc/21/31/76/1045213176.db2.gz PGFFQZWWLWLTFG-NSISKUIASA-N 2 1 356.514 2.519 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318505413 1045316749 /nfs/dbraw/zinc/31/67/49/1045316749.db2.gz WUAKNNYAJBKXGW-UHFFFAOYSA-N 2 1 367.468 2.879 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001324727638 1046191291 /nfs/dbraw/zinc/19/12/91/1046191291.db2.gz KKJBDHIMSBCXAX-VWPQPMDRSA-N 2 1 368.525 2.617 20 30 FFEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001501712437 1058703974 /nfs/dbraw/zinc/70/39/74/1058703974.db2.gz QTQLGSFSTJGYDL-NMIHRBCNSA-N 2 1 367.537 2.620 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC001476983112 1061534071 /nfs/dbraw/zinc/53/40/71/1061534071.db2.gz ZRCMISISHQGTKV-SFHVURJKSA-N 2 1 361.465 2.577 20 30 FFEDMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001479598187 1062613989 /nfs/dbraw/zinc/61/39/89/1062613989.db2.gz YJIYMRJQTKWCEL-YFVAEKQCSA-N 2 1 370.541 2.774 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001479645561 1062712153 /nfs/dbraw/zinc/71/21/53/1062712153.db2.gz RHSNHJCXLXFHHN-RCCFBDPRSA-N 2 1 362.543 2.675 20 30 FFEDMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575638291 1078159537 /nfs/dbraw/zinc/15/95/37/1078159537.db2.gz SXNPXXKEMOEGER-FQEVSTJZSA-N 2 1 356.514 2.604 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)sc2C1 ZINC001576759006 1078272440 /nfs/dbraw/zinc/27/24/40/1078272440.db2.gz OLKWBPACMYRRRY-ZNMIVQPWSA-N 2 1 372.538 2.614 20 30 FFEDMP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035939 1078736030 /nfs/dbraw/zinc/73/60/30/1078736030.db2.gz JQYDFDWVCUPCIV-PMACEKPBSA-N 2 1 350.466 2.961 20 30 FFEDMP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035939 1078736036 /nfs/dbraw/zinc/73/60/36/1078736036.db2.gz JQYDFDWVCUPCIV-PMACEKPBSA-N 2 1 350.466 2.961 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001583230492 1079181673 /nfs/dbraw/zinc/18/16/73/1079181673.db2.gz CSGGAQSUWQGUFW-FQEVSTJZSA-N 2 1 368.525 2.759 20 30 FFEDMP C#C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001560209676 1076247190 /nfs/dbraw/zinc/24/71/90/1076247190.db2.gz UWKNXPKPXSABGA-OAQYLSRUSA-N 2 1 353.510 2.563 20 30 FFEDMP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001560209676 1076247191 /nfs/dbraw/zinc/24/71/91/1076247191.db2.gz UWKNXPKPXSABGA-OAQYLSRUSA-N 2 1 353.510 2.563 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001566024973 1076860560 /nfs/dbraw/zinc/86/05/60/1076860560.db2.gz BGJXKHQUYHPHJM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001566024973 1076860564 /nfs/dbraw/zinc/86/05/64/1076860564.db2.gz BGJXKHQUYHPHJM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001566024973 1076860567 /nfs/dbraw/zinc/86/05/67/1076860567.db2.gz BGJXKHQUYHPHJM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001566024973 1076860571 /nfs/dbraw/zinc/86/05/71/1076860571.db2.gz BGJXKHQUYHPHJM-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001570381115 1077202918 /nfs/dbraw/zinc/20/29/18/1077202918.db2.gz WJIBLLTYVMJEEJ-UXHICEINSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CC[C@@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC[NH2+]1 ZINC001574517056 1078006827 /nfs/dbraw/zinc/00/68/27/1078006827.db2.gz KNOUMVZSECFVIE-SRUXOGRHSA-N 2 1 365.521 2.549 20 30 FFEDMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000277197789 256170815 /nfs/dbraw/zinc/17/08/15/256170815.db2.gz MHDQEEYKXKKOAM-AWEZNQCLSA-N 2 1 360.527 2.853 20 30 FFEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000277197789 256170817 /nfs/dbraw/zinc/17/08/17/256170817.db2.gz MHDQEEYKXKKOAM-AWEZNQCLSA-N 2 1 360.527 2.853 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000371108384 512221920 /nfs/dbraw/zinc/22/19/20/512221920.db2.gz IVFBQFYVORTROS-MOPGFXCFSA-N 2 1 360.477 2.521 20 30 FFEDMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377629523 512365156 /nfs/dbraw/zinc/36/51/56/512365156.db2.gz PMOILCAWKKLLAX-NRFANRHFSA-N 2 1 355.526 2.689 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000089997057 507897517 /nfs/dbraw/zinc/89/75/17/507897517.db2.gz VRWWAYJLSUHXTE-OALUTQOASA-N 2 1 359.901 2.547 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000089997057 507897520 /nfs/dbraw/zinc/89/75/20/507897520.db2.gz VRWWAYJLSUHXTE-OALUTQOASA-N 2 1 359.901 2.547 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111495957 508104319 /nfs/dbraw/zinc/10/43/19/508104319.db2.gz ZBXHNSAODSRBSV-SFHVURJKSA-N 2 1 358.530 2.847 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC000076073539 508155785 /nfs/dbraw/zinc/15/57/85/508155785.db2.gz BRISOQJORVQQNP-LJQANCHMSA-N 2 1 350.551 2.811 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114789907 508347233 /nfs/dbraw/zinc/34/72/33/508347233.db2.gz MOCHECAHFSVMEP-OAQYLSRUSA-N 2 1 370.541 2.991 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000106257453 508398573 /nfs/dbraw/zinc/39/85/73/508398573.db2.gz PVUQKJMUCPMWDJ-GOSISDBHSA-N 2 1 370.541 2.773 20 30 FFEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173882435 509831858 /nfs/dbraw/zinc/83/18/58/509831858.db2.gz OEZIUOKIBKFTLS-TZIWHRDSSA-N 2 1 358.526 2.963 20 30 FFEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173882435 509831865 /nfs/dbraw/zinc/83/18/65/509831865.db2.gz OEZIUOKIBKFTLS-TZIWHRDSSA-N 2 1 358.526 2.963 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000187025536 510013661 /nfs/dbraw/zinc/01/36/61/510013661.db2.gz UZHRNOKGSFQLFN-XLIONFOSSA-N 2 1 372.513 2.613 20 30 FFEDMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661105 510357340 /nfs/dbraw/zinc/35/73/40/510357340.db2.gz MXUWYHGWWNCAQF-GOEBONIOSA-N 2 1 354.420 2.979 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000330291318 510958162 /nfs/dbraw/zinc/95/81/62/510958162.db2.gz GKIGOUWIHLNGMH-CQSZACIVSA-N 2 1 358.490 2.649 20 30 FFEDMP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000272989894 511514009 /nfs/dbraw/zinc/51/40/09/511514009.db2.gz SMXKGONMJKXZJJ-HXUWFJFHSA-N 2 1 352.482 2.797 20 30 FFEDMP CC1CCN(C(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000303263648 511731698 /nfs/dbraw/zinc/73/16/98/511731698.db2.gz RGQNSQFRWVFBLU-HDICACEKSA-N 2 1 358.530 2.842 20 30 FFEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981480 511794492 /nfs/dbraw/zinc/79/44/92/511794492.db2.gz NDAGMJFJMZEOMR-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981480 511794499 /nfs/dbraw/zinc/79/44/99/511794499.db2.gz NDAGMJFJMZEOMR-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981480 511794504 /nfs/dbraw/zinc/79/45/04/511794504.db2.gz NDAGMJFJMZEOMR-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981480 511794512 /nfs/dbraw/zinc/79/45/12/511794512.db2.gz NDAGMJFJMZEOMR-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)o1 ZINC000329221364 512007611 /nfs/dbraw/zinc/00/76/11/512007611.db2.gz URRZOPMHKCXFGL-IRXDYDNUSA-N 2 1 363.506 2.798 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000376387412 512796677 /nfs/dbraw/zinc/79/66/77/512796677.db2.gz QOXKZABXVSOSOU-HNNXBMFYSA-N 2 1 358.486 2.903 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000376387412 512796681 /nfs/dbraw/zinc/79/66/81/512796681.db2.gz QOXKZABXVSOSOU-HNNXBMFYSA-N 2 1 358.486 2.903 20 30 FFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000370255779 512844060 /nfs/dbraw/zinc/84/40/60/512844060.db2.gz JCDPMZRAAAYKNG-GOSISDBHSA-N 2 1 369.469 2.541 20 30 FFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000370255779 512844064 /nfs/dbraw/zinc/84/40/64/512844064.db2.gz JCDPMZRAAAYKNG-GOSISDBHSA-N 2 1 369.469 2.541 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N(C)CCC#N ZINC000368233532 512857755 /nfs/dbraw/zinc/85/77/55/512857755.db2.gz FUHREKDYGCUVKG-OYNPSCLESA-N 2 1 368.525 2.637 20 30 FFEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370706068 513063412 /nfs/dbraw/zinc/06/34/12/513063412.db2.gz AEZSOAXYTIPGHT-SIKLNZKXSA-N 2 1 355.526 2.547 20 30 FFEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370706068 513063418 /nfs/dbraw/zinc/06/34/18/513063418.db2.gz AEZSOAXYTIPGHT-SIKLNZKXSA-N 2 1 355.526 2.547 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC000448977180 514004088 /nfs/dbraw/zinc/00/40/88/514004088.db2.gz XPPDIALRWKTLMN-IBGZPJMESA-N 2 1 353.470 2.696 20 30 FFEDMP CC1(C#N)CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000449143608 514090136 /nfs/dbraw/zinc/09/01/36/514090136.db2.gz IGBHYDPTPYDFDN-VRKFHHGPSA-N 2 1 368.525 2.946 20 30 FFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331385 514097097 /nfs/dbraw/zinc/09/70/97/514097097.db2.gz QRLXMSBCZAEKBI-KSZLIROESA-N 2 1 361.555 2.973 20 30 FFEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000414794587 514297094 /nfs/dbraw/zinc/29/70/94/514297094.db2.gz VMYWOXLPSIWPHW-UHFFFAOYSA-N 2 1 355.276 2.864 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccncc2)n1 ZINC000433320966 514457734 /nfs/dbraw/zinc/45/77/34/514457734.db2.gz WFNUGGIYLQHUSK-OALUTQOASA-N 2 1 350.470 2.575 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccncc2)n1 ZINC000433320966 514457740 /nfs/dbraw/zinc/45/77/40/514457740.db2.gz WFNUGGIYLQHUSK-OALUTQOASA-N 2 1 350.470 2.575 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCCC#N)CC1)Cc1ccccc1 ZINC000494563572 515882985 /nfs/dbraw/zinc/88/29/85/515882985.db2.gz UHXOWNGEIOTGES-UHFFFAOYSA-N 2 1 356.514 2.640 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029265 515945011 /nfs/dbraw/zinc/94/50/11/515945011.db2.gz QDXPZCKRVPSKQN-UWJYYQICSA-N 2 1 371.529 2.673 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501834 516781044 /nfs/dbraw/zinc/78/10/44/516781044.db2.gz PPRNWKLRUZVZNS-QGZVFWFLSA-N 2 1 361.465 2.577 20 30 FFEDMP N#CCCn1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c(-c2ccncc2)n1 ZINC000527812596 517930640 /nfs/dbraw/zinc/93/06/40/517930640.db2.gz VIEDPMCFVRZLSU-FQEVSTJZSA-N 2 1 364.497 2.965 20 30 FFEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589311290 518978611 /nfs/dbraw/zinc/97/86/11/518978611.db2.gz JFOMHUQYNJJYSD-UHFFFAOYSA-N 2 1 354.420 2.694 20 30 FFEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878075 519944301 /nfs/dbraw/zinc/94/43/01/519944301.db2.gz UCRCQEOAQCEXMH-KRWDZBQOSA-N 2 1 372.488 2.879 20 30 FFEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501886 520003509 /nfs/dbraw/zinc/00/35/09/520003509.db2.gz DLKSQIDBQMQHLH-LJQANCHMSA-N 2 1 356.514 2.520 20 30 FFEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501886 520003514 /nfs/dbraw/zinc/00/35/14/520003514.db2.gz DLKSQIDBQMQHLH-LJQANCHMSA-N 2 1 356.514 2.520 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602177476 521189990 /nfs/dbraw/zinc/18/99/90/521189990.db2.gz REEJAFMWSBRYSY-UHFFFAOYSA-N 2 1 365.481 2.659 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593882274 521270626 /nfs/dbraw/zinc/27/06/26/521270626.db2.gz GBZWLSZNCBHQGW-CALCHBBNSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599660312 521373239 /nfs/dbraw/zinc/37/32/39/521373239.db2.gz MYTDEPIMYHRYOE-FQEVSTJZSA-N 2 1 350.466 2.668 20 30 FFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000599660312 521373246 /nfs/dbraw/zinc/37/32/46/521373246.db2.gz MYTDEPIMYHRYOE-FQEVSTJZSA-N 2 1 350.466 2.668 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)CC2)CC1 ZINC000594296428 521543473 /nfs/dbraw/zinc/54/34/73/521543473.db2.gz NLSLFYABJHXZOL-LAUBAEHRSA-N 2 1 360.546 2.771 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261955201 729655610 /nfs/dbraw/zinc/65/56/10/729655610.db2.gz IOCISUBUPMAEPX-HNNXBMFYSA-N 2 1 353.942 2.806 20 30 FFEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)c2cccs2)CC1 ZINC000262505415 729667359 /nfs/dbraw/zinc/66/73/59/729667359.db2.gz ZSTLTZQGFJKQKN-HOTGVXAUSA-N 2 1 350.532 2.557 20 30 FFEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880262479 732875106 /nfs/dbraw/zinc/87/51/06/732875106.db2.gz MSUQALPXFODNOO-CQSZACIVSA-N 2 1 355.467 2.554 20 30 FFEDMP C[NH+](C)CCCNC(=S)NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000747631125 735575531 /nfs/dbraw/zinc/57/55/31/735575531.db2.gz AYJHGFPEGYUCLD-UHFFFAOYSA-N 2 1 363.575 2.546 20 30 FFEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000764626351 737036557 /nfs/dbraw/zinc/03/65/57/737036557.db2.gz ZMTVJJNASGOVKX-WMLDXEAASA-N 2 1 353.869 2.706 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000960644552 1013438261 /nfs/dbraw/zinc/43/82/61/1013438261.db2.gz OZQIOIJUOSTZPJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000960644552 1013438269 /nfs/dbraw/zinc/43/82/69/1013438269.db2.gz OZQIOIJUOSTZPJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000960644552 1013438275 /nfs/dbraw/zinc/43/82/75/1013438275.db2.gz OZQIOIJUOSTZPJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261940510 964773584 /nfs/dbraw/zinc/77/35/84/964773584.db2.gz DNIKXNSZTKXCIY-GBESFXJTSA-N 2 1 360.550 2.606 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001266939260 965333163 /nfs/dbraw/zinc/33/31/63/965333163.db2.gz DHROAEZSNPEHJN-AYOQOUSVSA-N 2 1 361.917 2.516 20 30 FFEDMP C#CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000162207840 968074855 /nfs/dbraw/zinc/07/48/55/968074855.db2.gz PWAOLPPDHAGEEZ-UXHICEINSA-N 2 1 362.562 2.769 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001087593719 968286462 /nfs/dbraw/zinc/28/64/62/968286462.db2.gz SPMCIMQSHVUOQB-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001087593719 968286467 /nfs/dbraw/zinc/28/64/67/968286467.db2.gz SPMCIMQSHVUOQB-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001087593719 968286481 /nfs/dbraw/zinc/28/64/81/968286481.db2.gz SPMCIMQSHVUOQB-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087700050 968655430 /nfs/dbraw/zinc/65/54/30/968655430.db2.gz YJJIVTWBWVWUCP-LRGNLBRXSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087700050 968655433 /nfs/dbraw/zinc/65/54/33/968655433.db2.gz YJJIVTWBWVWUCP-LRGNLBRXSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087700050 968655442 /nfs/dbraw/zinc/65/54/42/968655442.db2.gz YJJIVTWBWVWUCP-LRGNLBRXSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262455653 973325215 /nfs/dbraw/zinc/32/52/15/973325215.db2.gz WTJJKKFYQGOFHQ-DFQSSKMNSA-N 2 1 362.562 2.575 20 30 FFEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)COC ZINC000661240258 973971647 /nfs/dbraw/zinc/97/16/47/973971647.db2.gz MESQOYXLYOIPQZ-LJQANCHMSA-N 2 1 373.541 2.599 20 30 FFEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)COC ZINC000661240258 973971654 /nfs/dbraw/zinc/97/16/54/973971654.db2.gz MESQOYXLYOIPQZ-LJQANCHMSA-N 2 1 373.541 2.599 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001029741687 974182459 /nfs/dbraw/zinc/18/24/59/974182459.db2.gz AIXSDEXUAIYOBL-DZFGPLHGSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001029741687 974182467 /nfs/dbraw/zinc/18/24/67/974182467.db2.gz AIXSDEXUAIYOBL-DZFGPLHGSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001029741687 974182470 /nfs/dbraw/zinc/18/24/70/974182470.db2.gz AIXSDEXUAIYOBL-DZFGPLHGSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CC(C)C)CC[N@H+]1C ZINC001268103694 976480374 /nfs/dbraw/zinc/48/03/74/976480374.db2.gz DWHBGRIVIDZETB-QHAWAJNXSA-N 2 1 370.541 2.909 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087434250 976713229 /nfs/dbraw/zinc/71/32/29/976713229.db2.gz DCICGKHMIKCNIG-NHCUHLMSSA-N 2 1 367.537 2.858 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178564453 977347708 /nfs/dbraw/zinc/34/77/08/977347708.db2.gz SFFLYPSTUSHGQO-QGZVFWFLSA-N 2 1 360.502 2.531 20 30 FFEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000261759021 978084311 /nfs/dbraw/zinc/08/43/11/978084311.db2.gz MTECWTGZISLOGO-KXBFYZLASA-N 2 1 373.476 2.758 20 30 FFEDMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076047044 979061663 /nfs/dbraw/zinc/06/16/63/979061663.db2.gz ZAYMSJNLKZAZTE-SIKLNZKXSA-N 2 1 370.456 2.532 20 30 FFEDMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076047044 979061670 /nfs/dbraw/zinc/06/16/70/979061670.db2.gz ZAYMSJNLKZAZTE-SIKLNZKXSA-N 2 1 370.456 2.532 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)CC[N@H+]1C ZINC001271846163 979145960 /nfs/dbraw/zinc/14/59/60/979145960.db2.gz ODIWMMNFRDWBFN-XUVXKRRUSA-N 2 1 356.514 2.519 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000968867367 1014603390 /nfs/dbraw/zinc/60/33/90/1014603390.db2.gz VPSLAVHTMBQUPO-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000968867367 1014603392 /nfs/dbraw/zinc/60/33/92/1014603392.db2.gz VPSLAVHTMBQUPO-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000968867367 1014603398 /nfs/dbraw/zinc/60/33/98/1014603398.db2.gz VPSLAVHTMBQUPO-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088563444 981121607 /nfs/dbraw/zinc/12/16/07/981121607.db2.gz QMOXUANNGVQFEB-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088563444 981121609 /nfs/dbraw/zinc/12/16/09/981121609.db2.gz QMOXUANNGVQFEB-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088563444 981121612 /nfs/dbraw/zinc/12/16/12/981121612.db2.gz QMOXUANNGVQFEB-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088605146 981420403 /nfs/dbraw/zinc/42/04/03/981420403.db2.gz IRAXLGKOIALJPC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088605146 981420407 /nfs/dbraw/zinc/42/04/07/981420407.db2.gz IRAXLGKOIALJPC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088605146 981420410 /nfs/dbraw/zinc/42/04/10/981420410.db2.gz IRAXLGKOIALJPC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693355 982798596 /nfs/dbraw/zinc/79/85/96/982798596.db2.gz WMPXADWCOYPHIT-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693355 982798602 /nfs/dbraw/zinc/79/86/02/982798602.db2.gz WMPXADWCOYPHIT-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693355 982798606 /nfs/dbraw/zinc/79/86/06/982798606.db2.gz WMPXADWCOYPHIT-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693355 982798610 /nfs/dbraw/zinc/79/86/10/982798610.db2.gz WMPXADWCOYPHIT-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088693355 982798613 /nfs/dbraw/zinc/79/86/13/982798613.db2.gz WMPXADWCOYPHIT-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996334675 984318119 /nfs/dbraw/zinc/31/81/19/984318119.db2.gz ODIGXQKMDLJAKS-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@](C)(c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107607168 984787324 /nfs/dbraw/zinc/78/73/24/984787324.db2.gz QKFLKMIRONTNQZ-YMPZKCBVSA-N 2 1 367.537 2.848 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872167 985213696 /nfs/dbraw/zinc/21/36/96/985213696.db2.gz DIRCOUXVCAYALL-PBASOCQRSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872167 985213703 /nfs/dbraw/zinc/21/37/03/985213703.db2.gz DIRCOUXVCAYALL-PBASOCQRSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872167 985213715 /nfs/dbraw/zinc/21/37/15/985213715.db2.gz DIRCOUXVCAYALL-PBASOCQRSA-N 2 1 355.526 2.877 20 30 FFEDMP C[C@@H]([NH+](C)Cc1cc(C#N)cc(C[N@H+](C)[C@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000878668002 1015160451 /nfs/dbraw/zinc/16/04/51/1015160451.db2.gz HVSKCTPQSOEDNZ-HZPDHXFCSA-N 2 1 361.530 2.741 20 30 FFEDMP C#CCN(C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CC[NH+](C)CC1 ZINC000914024218 987120113 /nfs/dbraw/zinc/12/01/13/987120113.db2.gz YBHYRGOMCHJRSG-UHFFFAOYSA-N 2 1 370.541 2.766 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001095920116 1015379063 /nfs/dbraw/zinc/37/90/63/1015379063.db2.gz HPCSYFPXAOLEMF-MXJLVENISA-N 2 1 372.538 2.572 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001095920116 1015379074 /nfs/dbraw/zinc/37/90/74/1015379074.db2.gz HPCSYFPXAOLEMF-MXJLVENISA-N 2 1 372.538 2.572 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001095920116 1015379084 /nfs/dbraw/zinc/37/90/84/1015379084.db2.gz HPCSYFPXAOLEMF-MXJLVENISA-N 2 1 372.538 2.572 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001095920116 1015379097 /nfs/dbraw/zinc/37/90/97/1015379097.db2.gz HPCSYFPXAOLEMF-MXJLVENISA-N 2 1 372.538 2.572 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)C2)[C@@H]1C(C)C ZINC000922394318 988556793 /nfs/dbraw/zinc/55/67/93/988556793.db2.gz QHILYVCCYNTAGQ-QCFAMHMHSA-N 2 1 357.498 2.526 20 30 FFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666810 988609851 /nfs/dbraw/zinc/60/98/51/988609851.db2.gz WKUHRZYMXAZUHN-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001033838003 989751603 /nfs/dbraw/zinc/75/16/03/989751603.db2.gz LUDGTCBMMXVHQP-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001033838003 989751608 /nfs/dbraw/zinc/75/16/08/989751608.db2.gz LUDGTCBMMXVHQP-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001033838003 989751613 /nfs/dbraw/zinc/75/16/13/989751613.db2.gz LUDGTCBMMXVHQP-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC(C)C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC1CC[NH+](C)CC1 ZINC000879702502 1015646767 /nfs/dbraw/zinc/64/67/67/1015646767.db2.gz NKUSRBYKIRGMNN-NRFANRHFSA-N 2 1 373.541 2.792 20 30 FFEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484538598 991659908 /nfs/dbraw/zinc/65/99/08/991659908.db2.gz DCHQZUIMNUBZTE-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1ccccc1F ZINC001079314839 991989011 /nfs/dbraw/zinc/98/90/11/991989011.db2.gz NRTIBAQDDNJPEY-PKOBYXMFSA-N 2 1 370.472 2.916 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080541069 993130856 /nfs/dbraw/zinc/13/08/56/993130856.db2.gz CZCNWQLKCVKYIP-VQIMIIECSA-N 2 1 365.481 2.515 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080541069 993130860 /nfs/dbraw/zinc/13/08/60/993130860.db2.gz CZCNWQLKCVKYIP-VQIMIIECSA-N 2 1 365.481 2.515 20 30 FFEDMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000880254691 1015790570 /nfs/dbraw/zinc/79/05/70/1015790570.db2.gz LFUIWICENNBDCT-LJQANCHMSA-N 2 1 363.546 2.788 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081213913 993727984 /nfs/dbraw/zinc/72/79/84/993727984.db2.gz VMHYZECMBITDHE-YTQUADARSA-N 2 1 361.917 2.665 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001144074725 997990989 /nfs/dbraw/zinc/99/09/89/997990989.db2.gz BMXUPUMCTLFVKB-LJQANCHMSA-N 2 1 366.465 2.802 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C#Cc1cccs1 ZINC000826924124 1016190070 /nfs/dbraw/zinc/19/00/70/1016190070.db2.gz OIJJCAJHZMMYMV-UHFFFAOYSA-N 2 1 373.566 2.754 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(CC)CC)[C@H]3C2)CC1 ZINC001085100652 998945827 /nfs/dbraw/zinc/94/58/27/998945827.db2.gz SZCJVEIWYCMUOL-CTNGQTDRSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001085229827 999215189 /nfs/dbraw/zinc/21/51/89/999215189.db2.gz MJUPUQMMWDMXQD-NJYVYQBISA-N 2 1 353.510 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001085229827 999215198 /nfs/dbraw/zinc/21/51/98/999215198.db2.gz MJUPUQMMWDMXQD-NJYVYQBISA-N 2 1 353.510 2.610 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597766 1002651116 /nfs/dbraw/zinc/65/11/16/1002651116.db2.gz ZBNAFPSCWHVCOA-LEWJYISDSA-N 2 1 358.445 2.555 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001086613176 1003364209 /nfs/dbraw/zinc/36/42/09/1003364209.db2.gz FVQHPCADQDWDOA-BAGYTPMASA-N 2 1 367.537 2.858 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001086613387 1003365147 /nfs/dbraw/zinc/36/51/47/1003365147.db2.gz RDLAVOWKLBSRAA-LEWJYISDSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357390 1005810825 /nfs/dbraw/zinc/81/08/25/1005810825.db2.gz IGBADBPDAZYEOI-JOCHJYFZSA-N 2 1 364.489 2.945 20 30 FFEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852860203 1006209180 /nfs/dbraw/zinc/20/91/80/1006209180.db2.gz NABWBZIMFQFBEL-UHFFFAOYSA-N 2 1 350.466 2.996 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000852887498 1006222085 /nfs/dbraw/zinc/22/20/85/1006222085.db2.gz BBXJBUOVYPGHBS-YADHBBJMSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001086721293 1006283725 /nfs/dbraw/zinc/28/37/25/1006283725.db2.gz QOVRAQAMSCRATL-DSKINZAPSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001086721293 1006283733 /nfs/dbraw/zinc/28/37/33/1006283733.db2.gz QOVRAQAMSCRATL-DSKINZAPSA-N 2 1 371.500 2.606 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000853673573 1006500731 /nfs/dbraw/zinc/50/07/31/1006500731.db2.gz XNKADKSNPRTYQX-LJQANCHMSA-N 2 1 374.529 2.548 20 30 FFEDMP C#CCNC(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000815111139 1006512948 /nfs/dbraw/zinc/51/29/48/1006512948.db2.gz HWYHBXCIUSQQSM-ZJVRTDGDSA-N 2 1 373.928 2.983 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc4c3CCCC4)[C@@H]2C1 ZINC001188568468 1006611322 /nfs/dbraw/zinc/61/13/22/1006611322.db2.gz NIWFGTSLZXKRRD-ABSDTBQOSA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568468 1006611333 /nfs/dbraw/zinc/61/13/33/1006611333.db2.gz NIWFGTSLZXKRRD-ABSDTBQOSA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568468 1006611338 /nfs/dbraw/zinc/61/13/38/1006611338.db2.gz NIWFGTSLZXKRRD-ABSDTBQOSA-N 2 1 356.514 2.649 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000856170266 1007708547 /nfs/dbraw/zinc/70/85/47/1007708547.db2.gz XBAOKYWXPJPQAJ-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856170266 1007708555 /nfs/dbraw/zinc/70/85/55/1007708555.db2.gz XBAOKYWXPJPQAJ-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000856170266 1007708569 /nfs/dbraw/zinc/70/85/69/1007708569.db2.gz XBAOKYWXPJPQAJ-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000856170266 1007708584 /nfs/dbraw/zinc/70/85/84/1007708584.db2.gz XBAOKYWXPJPQAJ-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001177348676 1008588786 /nfs/dbraw/zinc/58/87/86/1008588786.db2.gz MVMWGQNQLYCHAC-UYAOXDASSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001177348676 1008588797 /nfs/dbraw/zinc/58/87/97/1008588797.db2.gz MVMWGQNQLYCHAC-UYAOXDASSA-N 2 1 365.562 2.670 20 30 FFEDMP C#CCCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000822952212 1008835217 /nfs/dbraw/zinc/83/52/17/1008835217.db2.gz OGZCGYGVFZBDPJ-HXUWFJFHSA-N 2 1 371.525 2.577 20 30 FFEDMP C[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000863555978 1010253632 /nfs/dbraw/zinc/25/36/32/1010253632.db2.gz YRUZVFFDWMJEQG-LEWJYISDSA-N 2 1 371.525 2.560 20 30 FFEDMP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)c1 ZINC001110147240 1010347177 /nfs/dbraw/zinc/34/71/77/1010347177.db2.gz RGRKYRHMKATLJK-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC001093833004 1010603982 /nfs/dbraw/zinc/60/39/82/1010603982.db2.gz MOWXLZXFXRPLLB-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC001093833004 1010603990 /nfs/dbraw/zinc/60/39/90/1010603990.db2.gz MOWXLZXFXRPLLB-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C[NH+]1CCC(N2CCC(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000865485590 1010796475 /nfs/dbraw/zinc/79/64/75/1010796475.db2.gz ZPPMXOKMXZCHML-UHFFFAOYSA-N 2 1 361.421 2.576 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416509 1011102365 /nfs/dbraw/zinc/10/23/65/1011102365.db2.gz XAFFPLGPBZTZLV-CZTZKLFOSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416509 1011102371 /nfs/dbraw/zinc/10/23/71/1011102371.db2.gz XAFFPLGPBZTZLV-CZTZKLFOSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416509 1011102375 /nfs/dbraw/zinc/10/23/75/1011102375.db2.gz XAFFPLGPBZTZLV-CZTZKLFOSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094433739 1011117958 /nfs/dbraw/zinc/11/79/58/1011117958.db2.gz ADWKKONIXITGNY-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433739 1011117960 /nfs/dbraw/zinc/11/79/60/1011117960.db2.gz ADWKKONIXITGNY-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433739 1011117962 /nfs/dbraw/zinc/11/79/62/1011117962.db2.gz ADWKKONIXITGNY-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501663 1011359651 /nfs/dbraw/zinc/35/96/51/1011359651.db2.gz VBZLEVWRKYUGIW-GUDVDZBRSA-N 2 1 355.567 2.941 20 30 FFEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501663 1011359665 /nfs/dbraw/zinc/35/96/65/1011359665.db2.gz VBZLEVWRKYUGIW-GUDVDZBRSA-N 2 1 355.567 2.941 20 30 FFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250733 1011722920 /nfs/dbraw/zinc/72/29/20/1011722920.db2.gz GSIWZGIXNBUXJY-LEWJYISDSA-N 2 1 366.546 2.561 20 30 FFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250733 1011722933 /nfs/dbraw/zinc/72/29/33/1011722933.db2.gz GSIWZGIXNBUXJY-LEWJYISDSA-N 2 1 366.546 2.561 20 30 FFEDMP CC[NH+](CC)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173431668 1012592317 /nfs/dbraw/zinc/59/23/17/1012592317.db2.gz LJLVLXDMGKFDJX-UHFFFAOYSA-N 2 1 368.525 2.969 20 30 FFEDMP C[NH+]1CCC2(CC[N@H+](C3CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)CC1 ZINC001173432512 1012595675 /nfs/dbraw/zinc/59/56/75/1012595675.db2.gz CNBCPHNDFJNQRU-UHFFFAOYSA-N 2 1 366.509 2.581 20 30 FFEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1=O ZINC001275540069 1012596963 /nfs/dbraw/zinc/59/69/63/1012596963.db2.gz CVIPVOBFXIGCFQ-OAQYLSRUSA-N 2 1 350.466 2.873 20 30 FFEDMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C)(C#N)CC1 ZINC001173595311 1012767366 /nfs/dbraw/zinc/76/73/66/1012767366.db2.gz OEHHLYLSBQUDKM-HFCFLWKCSA-N 2 1 357.502 2.610 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)cc1 ZINC001111453187 1017726805 /nfs/dbraw/zinc/72/68/05/1017726805.db2.gz RLNMXEIDALCZLA-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000901354570 1018996019 /nfs/dbraw/zinc/99/60/19/1018996019.db2.gz LVAWYEXVCKVEMD-VQTJNVASSA-N 2 1 357.498 2.597 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000901354568 1018996314 /nfs/dbraw/zinc/99/63/14/1018996314.db2.gz LVAWYEXVCKVEMD-PMACEKPBSA-N 2 1 357.498 2.597 20 30 FFEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217861573 1032890469 /nfs/dbraw/zinc/89/04/69/1032890469.db2.gz RZKULVOGFPGHSP-SLFFLAALSA-N 2 1 363.546 2.517 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217861573 1032890485 /nfs/dbraw/zinc/89/04/85/1032890485.db2.gz RZKULVOGFPGHSP-SLFFLAALSA-N 2 1 363.546 2.517 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217861573 1032890493 /nfs/dbraw/zinc/89/04/93/1032890493.db2.gz RZKULVOGFPGHSP-SLFFLAALSA-N 2 1 363.546 2.517 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001099446441 1022539957 /nfs/dbraw/zinc/53/99/57/1022539957.db2.gz BHMTUXDPIHGCAQ-FUDKSRODSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001099446441 1022539959 /nfs/dbraw/zinc/53/99/59/1022539959.db2.gz BHMTUXDPIHGCAQ-FUDKSRODSA-N 2 1 365.521 2.503 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c(OC)c1 ZINC000754742063 1023511214 /nfs/dbraw/zinc/51/12/14/1023511214.db2.gz WFMABJBGNLQIMH-CEXWTWQISA-N 2 1 360.498 2.813 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111298551 1023673305 /nfs/dbraw/zinc/67/33/05/1023673305.db2.gz CYQXBLMUBXTVID-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001121595039 1023870987 /nfs/dbraw/zinc/87/09/87/1023870987.db2.gz HKRPSZDUBAKBFX-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC/C=C/CCC)C[C@@]3(C)C2)CC1 ZINC001101473357 1024835319 /nfs/dbraw/zinc/83/53/19/1024835319.db2.gz RMLQNORZODVUJO-ZCBMTBAISA-N 2 1 371.569 2.858 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215254 1025597168 /nfs/dbraw/zinc/59/71/68/1025597168.db2.gz NGYBGCUICACJJL-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489199 1026109817 /nfs/dbraw/zinc/10/98/17/1026109817.db2.gz XAGFXKPZNRQHDU-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC000639759614 1026458652 /nfs/dbraw/zinc/45/86/52/1026458652.db2.gz DSSFAELFUSDNTA-IBGZPJMESA-N 2 1 374.525 2.581 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138312 1026994666 /nfs/dbraw/zinc/99/46/66/1026994666.db2.gz DSAJNRGMYQNIQN-UAFMIMERSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138312 1026994670 /nfs/dbraw/zinc/99/46/70/1026994670.db2.gz DSAJNRGMYQNIQN-UAFMIMERSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103138312 1026994676 /nfs/dbraw/zinc/99/46/76/1026994676.db2.gz DSAJNRGMYQNIQN-UAFMIMERSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103138312 1026994678 /nfs/dbraw/zinc/99/46/78/1026994678.db2.gz DSAJNRGMYQNIQN-UAFMIMERSA-N 2 1 367.578 2.750 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655169 1027897253 /nfs/dbraw/zinc/89/72/53/1027897253.db2.gz SQCHZPCHRXMUDP-IFMALSPDSA-N 2 1 369.553 2.844 20 30 FFEDMP N#Cc1c2c(cnc1N1CC[NH+](C/C=C/c3ccccc3)CC1)C[NH2+]CCC2 ZINC001163846832 1029087690 /nfs/dbraw/zinc/08/76/90/1029087690.db2.gz QKFOIOBDYUEFIW-VMPITWQZSA-N 2 1 373.504 2.824 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C(F)(F)F ZINC001112137725 1030084488 /nfs/dbraw/zinc/08/44/88/1030084488.db2.gz APMYLYNAHXQDBB-HZPDHXFCSA-N 2 1 361.452 2.806 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cccc(F)c1 ZINC001205458371 1031762982 /nfs/dbraw/zinc/76/29/82/1031762982.db2.gz HQBUZKYRGISHRT-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001219052059 1033490181 /nfs/dbraw/zinc/49/01/81/1033490181.db2.gz CLPQHEWEIUSMFN-JRGCBEDISA-N 2 1 371.525 2.628 20 30 FFEDMP COc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(C[NH+](C)C)c1O ZINC001139256154 1035030710 /nfs/dbraw/zinc/03/07/10/1035030710.db2.gz VFGPFEWQYXPEAA-UHFFFAOYSA-N 2 1 351.450 2.892 20 30 FFEDMP COc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(C[NH+](C)C)c1O ZINC001139256154 1035030714 /nfs/dbraw/zinc/03/07/14/1035030714.db2.gz VFGPFEWQYXPEAA-UHFFFAOYSA-N 2 1 351.450 2.892 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001221936487 1035166357 /nfs/dbraw/zinc/16/63/57/1035166357.db2.gz KBYKQEBYIDRBAG-SYYKKAFVSA-N 2 1 355.526 2.962 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001221936487 1035166359 /nfs/dbraw/zinc/16/63/59/1035166359.db2.gz KBYKQEBYIDRBAG-SYYKKAFVSA-N 2 1 355.526 2.962 20 30 FFEDMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229037705 1036467950 /nfs/dbraw/zinc/46/79/50/1036467950.db2.gz NRRHTDASASYZGZ-DUXKGJEZSA-N 2 1 364.493 2.657 20 30 FFEDMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207281459 1037311001 /nfs/dbraw/zinc/31/10/01/1037311001.db2.gz DRHPOJIHFQNDKN-NRFANRHFSA-N 2 1 354.498 2.575 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415922 1038295918 /nfs/dbraw/zinc/29/59/18/1038295918.db2.gz XVZQNIMJBUSZJZ-GUDVDZBRSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415922 1038295910 /nfs/dbraw/zinc/29/59/10/1038295910.db2.gz XVZQNIMJBUSZJZ-GUDVDZBRSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208415922 1038295934 /nfs/dbraw/zinc/29/59/34/1038295934.db2.gz XVZQNIMJBUSZJZ-GUDVDZBRSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208415922 1038295948 /nfs/dbraw/zinc/29/59/48/1038295948.db2.gz XVZQNIMJBUSZJZ-GUDVDZBRSA-N 2 1 353.551 2.503 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)Cc2ccc(C#N)cc2)C(C)C)CC[N@H+]1C ZINC001278908632 1038358009 /nfs/dbraw/zinc/35/80/09/1038358009.db2.gz UVPCXRVHZRIMQZ-LEWJYISDSA-N 2 1 370.541 2.957 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[N@H+](C)Cc2ccc(C#N)cc2)C(C)C)CC[NH+]1C ZINC001278908632 1038358022 /nfs/dbraw/zinc/35/80/22/1038358022.db2.gz UVPCXRVHZRIMQZ-LEWJYISDSA-N 2 1 370.541 2.957 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[N@@H+](C)Cc2ccc(C#N)cc2)C(C)C)CC[NH+]1C ZINC001278908632 1038358031 /nfs/dbraw/zinc/35/80/31/1038358031.db2.gz UVPCXRVHZRIMQZ-LEWJYISDSA-N 2 1 370.541 2.957 20 30 FFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858537 1038636858 /nfs/dbraw/zinc/63/68/58/1038636858.db2.gz HZLXCGLPYSGEAB-LEWJYISDSA-N 2 1 357.498 2.877 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256898726 1038649976 /nfs/dbraw/zinc/64/99/76/1038649976.db2.gz OTAHUQVJWGMEAN-OALUTQOASA-N 2 1 355.526 2.888 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256898726 1038649980 /nfs/dbraw/zinc/64/99/80/1038649980.db2.gz OTAHUQVJWGMEAN-OALUTQOASA-N 2 1 355.526 2.888 20 30 FFEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C#N)CC3)CC[C@@H]21 ZINC001256968563 1038664973 /nfs/dbraw/zinc/66/49/73/1038664973.db2.gz WHCYGAVOBDHONH-RUDWHLCBSA-N 2 1 356.518 2.534 20 30 FFEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C#N)CC3)CC[C@@H]21 ZINC001256968563 1038664977 /nfs/dbraw/zinc/66/49/77/1038664977.db2.gz WHCYGAVOBDHONH-RUDWHLCBSA-N 2 1 356.518 2.534 20 30 FFEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(C#N)CC3)CC[C@@H]21 ZINC001256968563 1038664982 /nfs/dbraw/zinc/66/49/82/1038664982.db2.gz WHCYGAVOBDHONH-RUDWHLCBSA-N 2 1 356.518 2.534 20 30 FFEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(C#N)CC3)CC[C@@H]21 ZINC001256968563 1038664984 /nfs/dbraw/zinc/66/49/84/1038664984.db2.gz WHCYGAVOBDHONH-RUDWHLCBSA-N 2 1 356.518 2.534 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209723639 1039160223 /nfs/dbraw/zinc/16/02/23/1039160223.db2.gz DDMVQSXSGWCFFZ-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP CCCCCCCC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001278440260 1039295494 /nfs/dbraw/zinc/29/54/94/1039295494.db2.gz VUGHPHZJVZCKFS-OAQYLSRUSA-N 2 1 366.594 2.565 20 30 FFEDMP [NH2+]=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC001252948364 1039848212 /nfs/dbraw/zinc/84/82/12/1039848212.db2.gz MEZTXLHFPRSAQF-JOCHJYFZSA-N 2 1 360.461 2.577 20 30 FFEDMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254659827 1040858775 /nfs/dbraw/zinc/85/87/75/1040858775.db2.gz SLERMMLWVHGXJH-RLLQIKCJSA-N 2 1 354.498 2.829 20 30 FFEDMP N#Cc1ccc(C(=[NH2+])NC2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001254993378 1041088828 /nfs/dbraw/zinc/08/88/28/1041088828.db2.gz PYFHHKBBAJWUPD-SEJPIABJSA-N 2 1 360.461 2.696 20 30 FFEDMP N#Cc1ccc(C(=[NH2+])NC2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001254993378 1041088845 /nfs/dbraw/zinc/08/88/45/1041088845.db2.gz PYFHHKBBAJWUPD-SEJPIABJSA-N 2 1 360.461 2.696 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081488 1041947070 /nfs/dbraw/zinc/94/70/70/1041947070.db2.gz FNBNXHGISXRENU-JTDSTZFVSA-N 2 1 353.470 2.672 20 30 FFEDMP COC(C)(C)CC[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279266923 1042974819 /nfs/dbraw/zinc/97/48/19/1042974819.db2.gz KJKAEKRISLOGNT-UHFFFAOYSA-N 2 1 358.530 3.000 20 30 FFEDMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)c3Cl)(C1)CCC2 ZINC001279320625 1042998977 /nfs/dbraw/zinc/99/89/77/1042998977.db2.gz XAFWAMYPDRGQNV-UXHICEINSA-N 2 1 374.916 2.824 20 30 FFEDMP Cc1noc(C)c1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279572626 1043278367 /nfs/dbraw/zinc/27/83/67/1043278367.db2.gz MQELFRKOLGCODM-UHFFFAOYSA-N 2 1 353.470 2.600 20 30 FFEDMP CCCCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001279870335 1043803714 /nfs/dbraw/zinc/80/37/14/1043803714.db2.gz CGLXTZOAOCITCU-IBGZPJMESA-N 2 1 365.562 2.791 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c(C#N)c3)C[C@H]2CC1 ZINC001280072504 1044172868 /nfs/dbraw/zinc/17/28/68/1044172868.db2.gz JVLULQTUBURDBV-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(C#N)c3)C[C@H]2CC1 ZINC001280072504 1044172870 /nfs/dbraw/zinc/17/28/70/1044172870.db2.gz JVLULQTUBURDBV-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@H]2CC1 ZINC001280072504 1044172875 /nfs/dbraw/zinc/17/28/75/1044172875.db2.gz JVLULQTUBURDBV-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(C#N)c3)C[C@H]2CC1 ZINC001280072504 1044172880 /nfs/dbraw/zinc/17/28/80/1044172880.db2.gz JVLULQTUBURDBV-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@H]2CC1 ZINC001280072504 1044172886 /nfs/dbraw/zinc/17/28/86/1044172886.db2.gz JVLULQTUBURDBV-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942638 1045309086 /nfs/dbraw/zinc/30/90/86/1045309086.db2.gz CNVNOPFFRHJXFR-CEXWTWQISA-N 2 1 363.933 2.815 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001343824357 1052438924 /nfs/dbraw/zinc/43/89/24/1052438924.db2.gz UQAIOFFTZCLNHJ-KZNAEPCWSA-N 2 1 360.550 2.582 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001480823703 1063078390 /nfs/dbraw/zinc/07/83/90/1063078390.db2.gz KZZVDPVSDZDAPT-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC001480823703 1063078414 /nfs/dbraw/zinc/07/84/14/1063078414.db2.gz KZZVDPVSDZDAPT-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC001480823703 1063078441 /nfs/dbraw/zinc/07/84/41/1063078441.db2.gz KZZVDPVSDZDAPT-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CN(CC)c1nnc([C@H]2CCC[NH2+]C2)n1CCCn1cc[nH+]c1C ZINC001574834359 1078086227 /nfs/dbraw/zinc/08/62/27/1078086227.db2.gz AWIJVSBAWFXKGW-SFHVURJKSA-N 2 1 371.533 2.743 20 30 FFEDMP C=CCN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[N@@H+]1CCCC[C@H]1CC)C1CC1 ZINC001574936156 1078094818 /nfs/dbraw/zinc/09/48/18/1078094818.db2.gz RYXZVVJLZTUGQC-FGTMMUONSA-N 2 1 372.561 2.902 20 30 FFEDMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966813 1079289666 /nfs/dbraw/zinc/28/96/66/1079289666.db2.gz UOBYQOHLQBQDJB-QMMLZNLJSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC[NH2+]1 ZINC001574517053 1078006906 /nfs/dbraw/zinc/00/69/06/1078006906.db2.gz KNOUMVZSECFVIE-ADYITMSISA-N 2 1 365.521 2.549 20 30 FFEDMP C#CC[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574517818 1078007378 /nfs/dbraw/zinc/00/73/78/1078007378.db2.gz QOPYIWAKZHFZRM-RBBKRZOGSA-N 2 1 353.510 2.550 20 30 FFEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420579 250313783 /nfs/dbraw/zinc/31/37/83/250313783.db2.gz FFESEJUQAGVPPA-OAQYLSRUSA-N 2 1 362.477 2.545 20 30 FFEDMP N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000272824840 252141230 /nfs/dbraw/zinc/14/12/30/252141230.db2.gz WVNKWHOPJPTPRK-HXUWFJFHSA-N 2 1 353.441 2.944 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000272824840 252141235 /nfs/dbraw/zinc/14/12/35/252141235.db2.gz WVNKWHOPJPTPRK-HXUWFJFHSA-N 2 1 353.441 2.944 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000272824840 252141239 /nfs/dbraw/zinc/14/12/39/252141239.db2.gz WVNKWHOPJPTPRK-HXUWFJFHSA-N 2 1 353.441 2.944 20 30 FFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000369204023 512281120 /nfs/dbraw/zinc/28/11/20/512281120.db2.gz NDOPNQLGMRZLEL-KDURUIRLSA-N 2 1 363.546 2.908 20 30 FFEDMP CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373501351 512363794 /nfs/dbraw/zinc/36/37/94/512363794.db2.gz IKZSXADYCWRYSQ-HXUWFJFHSA-N 2 1 368.525 2.728 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000106264641 508398774 /nfs/dbraw/zinc/39/87/74/508398774.db2.gz HBTGDKGLFOGEHN-NRFANRHFSA-N 2 1 370.541 2.991 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000136898654 508723949 /nfs/dbraw/zinc/72/39/49/508723949.db2.gz LQVNYKREKNNFFW-VAMGGRTRSA-N 2 1 362.562 2.811 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000150831859 508904137 /nfs/dbraw/zinc/90/41/37/508904137.db2.gz UYCWRBWSVLAMFU-UXHICEINSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000150831859 508904141 /nfs/dbraw/zinc/90/41/41/508904141.db2.gz UYCWRBWSVLAMFU-UXHICEINSA-N 2 1 374.525 2.581 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000132388537 509025269 /nfs/dbraw/zinc/02/52/69/509025269.db2.gz NJXFWQNKJFFMQI-KNQAVFIVSA-N 2 1 367.537 2.843 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000132799321 509076701 /nfs/dbraw/zinc/07/67/01/509076701.db2.gz BERZZBXUNHHLBH-IBGZPJMESA-N 2 1 350.551 2.837 20 30 FFEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185703372 509314284 /nfs/dbraw/zinc/31/42/84/509314284.db2.gz FCCCRPBCLKAXPO-FGTMMUONSA-N 2 1 360.546 2.960 20 30 FFEDMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185703372 509314289 /nfs/dbraw/zinc/31/42/89/509314289.db2.gz FCCCRPBCLKAXPO-FGTMMUONSA-N 2 1 360.546 2.960 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621727 509338965 /nfs/dbraw/zinc/33/89/65/509338965.db2.gz LKFULTKWKQHDOX-ROUUACIJSA-N 2 1 362.562 2.979 20 30 FFEDMP N#Cc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174279591 510037329 /nfs/dbraw/zinc/03/73/29/510037329.db2.gz OZHLBMKDJRXPJG-UHFFFAOYSA-N 2 1 352.482 2.839 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000246243666 510384826 /nfs/dbraw/zinc/38/48/26/510384826.db2.gz UYCWRBWSVLAMFU-PMACEKPBSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000246243666 510384833 /nfs/dbraw/zinc/38/48/33/510384833.db2.gz UYCWRBWSVLAMFU-PMACEKPBSA-N 2 1 374.525 2.581 20 30 FFEDMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310131 510419283 /nfs/dbraw/zinc/41/92/83/510419283.db2.gz ZFQIYDRYBBKIME-LSNYBQGISA-N 2 1 362.562 2.969 20 30 FFEDMP COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150702 510433990 /nfs/dbraw/zinc/43/39/90/510433990.db2.gz KGUYIFBUMPYUOD-RTWAWAEBSA-N 2 1 365.477 2.539 20 30 FFEDMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150702 510433999 /nfs/dbraw/zinc/43/39/99/510433999.db2.gz KGUYIFBUMPYUOD-RTWAWAEBSA-N 2 1 365.477 2.539 20 30 FFEDMP C[NH+]1CCN(c2cc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)ccn2)CC1 ZINC000330293194 510959228 /nfs/dbraw/zinc/95/92/28/510959228.db2.gz HPLHKPCLXXHAFN-SFHVURJKSA-N 2 1 359.518 2.554 20 30 FFEDMP C=C(C)COc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1OC ZINC000289523803 511103504 /nfs/dbraw/zinc/10/35/04/511103504.db2.gz VPTNLZAELAVGMX-UHFFFAOYSA-N 2 1 361.530 2.719 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000298364051 511259442 /nfs/dbraw/zinc/25/94/42/511259442.db2.gz CMWQOKZWHGDREX-INIZCTEOSA-N 2 1 371.510 2.896 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000298364051 511259448 /nfs/dbraw/zinc/25/94/48/511259448.db2.gz CMWQOKZWHGDREX-INIZCTEOSA-N 2 1 371.510 2.896 20 30 FFEDMP C#CC[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824509 511790341 /nfs/dbraw/zinc/79/03/41/511790341.db2.gz QQEGOJXZNGACGH-NHCUHLMSSA-N 2 1 368.525 2.561 20 30 FFEDMP C[C@@H](CCC#N)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000411328344 512582581 /nfs/dbraw/zinc/58/25/81/512582581.db2.gz JFJVJOJZVURJGH-SFHVURJKSA-N 2 1 356.514 2.639 20 30 FFEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370653548 513035871 /nfs/dbraw/zinc/03/58/71/513035871.db2.gz YYTXDQCNUBJQFT-IBGZPJMESA-N 2 1 368.525 2.735 20 30 FFEDMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000431624240 513946998 /nfs/dbraw/zinc/94/69/98/513946998.db2.gz VPSMELFMGZPFHE-NRFANRHFSA-N 2 1 368.525 2.857 20 30 FFEDMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000431624240 513947002 /nfs/dbraw/zinc/94/70/02/513947002.db2.gz VPSMELFMGZPFHE-NRFANRHFSA-N 2 1 368.525 2.857 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000420389458 514125117 /nfs/dbraw/zinc/12/51/17/514125117.db2.gz YKESFYCKQHMYNF-CTNGQTDRSA-N 2 1 359.514 2.692 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000424133546 514393355 /nfs/dbraw/zinc/39/33/55/514393355.db2.gz JRPBUXTYINDSRL-FQEVSTJZSA-N 2 1 350.466 2.505 20 30 FFEDMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424137658 514395214 /nfs/dbraw/zinc/39/52/14/514395214.db2.gz SJOQFEVEFHYFGG-OALUTQOASA-N 2 1 356.514 2.597 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000424179685 514408020 /nfs/dbraw/zinc/40/80/20/514408020.db2.gz ZMZZZPCTQGEDBM-IBGZPJMESA-N 2 1 354.498 2.522 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471006020 514713761 /nfs/dbraw/zinc/71/37/61/514713761.db2.gz LWIDWIVMLQTDQD-OYRHEFFESA-N 2 1 374.488 2.951 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471006020 514713767 /nfs/dbraw/zinc/71/37/67/514713767.db2.gz LWIDWIVMLQTDQD-OYRHEFFESA-N 2 1 374.488 2.951 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471006020 514713773 /nfs/dbraw/zinc/71/37/73/514713773.db2.gz LWIDWIVMLQTDQD-OYRHEFFESA-N 2 1 374.488 2.951 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462036909 514843026 /nfs/dbraw/zinc/84/30/26/514843026.db2.gz HUVUYDHMNZZKFY-XLIONFOSSA-N 2 1 356.514 2.536 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000527049856 517471984 /nfs/dbraw/zinc/47/19/84/517471984.db2.gz GYFLUUWBURFTPF-HUUCEWRRSA-N 2 1 351.454 2.782 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000539147526 517935270 /nfs/dbraw/zinc/93/52/70/517935270.db2.gz KNFMJTZPJFUTHY-QZTJIDSGSA-N 2 1 357.498 2.648 20 30 FFEDMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC#N)CC1 ZINC000563708454 518081620 /nfs/dbraw/zinc/08/16/20/518081620.db2.gz NZOQJOJDHIWSSP-RXVVDRJESA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000578980162 518464947 /nfs/dbraw/zinc/46/49/47/518464947.db2.gz XGQCWNFXCIMWPJ-WSTZPKSXSA-N 2 1 359.514 2.646 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570964498 518862820 /nfs/dbraw/zinc/86/28/20/518862820.db2.gz UJMBWNVOWKVJIK-LFUKPOHLSA-N 2 1 374.492 2.847 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570964498 518862826 /nfs/dbraw/zinc/86/28/26/518862826.db2.gz UJMBWNVOWKVJIK-LFUKPOHLSA-N 2 1 374.492 2.847 20 30 FFEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000579843454 518883501 /nfs/dbraw/zinc/88/35/01/518883501.db2.gz HWSQUUWBRUZPBM-HOTGVXAUSA-N 2 1 372.469 2.788 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000577171662 518948789 /nfs/dbraw/zinc/94/87/89/518948789.db2.gz BHOMHYYMLRVHCH-GOSISDBHSA-N 2 1 352.906 2.848 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000594438133 519964044 /nfs/dbraw/zinc/96/40/44/519964044.db2.gz MLWGOQNXWOHEBG-RAFMOHDBSA-N 2 1 354.498 2.709 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443101 519968778 /nfs/dbraw/zinc/96/87/78/519968778.db2.gz LIJVJNYEIRRZCS-PCCBWWKXSA-N 2 1 368.525 2.911 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443103 519969340 /nfs/dbraw/zinc/96/93/40/519969340.db2.gz LIJVJNYEIRRZCS-QHAWAJNXSA-N 2 1 368.525 2.911 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC[C@]1(C)CCCO1 ZINC000154481427 728805235 /nfs/dbraw/zinc/80/52/35/728805235.db2.gz ADJWSRBOLXBZBG-IEZWGBDMSA-N 2 1 364.559 2.865 20 30 FFEDMP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262844860 729672539 /nfs/dbraw/zinc/67/25/39/729672539.db2.gz YFLOWYMHRVBIJV-LBPRGKRZSA-N 2 1 363.918 2.851 20 30 FFEDMP C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262844860 729672540 /nfs/dbraw/zinc/67/25/40/729672540.db2.gz YFLOWYMHRVBIJV-LBPRGKRZSA-N 2 1 363.918 2.851 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304759764 729736970 /nfs/dbraw/zinc/73/69/70/729736970.db2.gz RNQGSFXNXUPXSF-AWEZNQCLSA-N 2 1 358.408 2.864 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000876777431 732280114 /nfs/dbraw/zinc/28/01/14/732280114.db2.gz MTYRNHIQEXBLEI-DYVFJYSZSA-N 2 1 351.878 2.816 20 30 FFEDMP N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC000903987810 736200689 /nfs/dbraw/zinc/20/06/89/736200689.db2.gz JWNSODRLDIVEIW-MRXNPFEDSA-N 2 1 353.495 2.737 20 30 FFEDMP N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC000903987809 736200718 /nfs/dbraw/zinc/20/07/18/736200718.db2.gz JWNSODRLDIVEIW-INIZCTEOSA-N 2 1 353.495 2.737 20 30 FFEDMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530731 738298402 /nfs/dbraw/zinc/29/84/02/738298402.db2.gz ITPBQGFAFDVZPU-UTINFBMNSA-N 2 1 366.296 2.945 20 30 FFEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001104802800 970859808 /nfs/dbraw/zinc/85/98/08/970859808.db2.gz JXHCUZACOFSSCC-WOJBJXKFSA-N 2 1 367.578 2.775 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653006 972443527 /nfs/dbraw/zinc/44/35/27/972443527.db2.gz NWKSCRZVZKYRCG-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653006 972443528 /nfs/dbraw/zinc/44/35/28/972443528.db2.gz NWKSCRZVZKYRCG-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC000660653006 972443531 /nfs/dbraw/zinc/44/35/31/972443531.db2.gz NWKSCRZVZKYRCG-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000660653006 972443532 /nfs/dbraw/zinc/44/35/32/972443532.db2.gz NWKSCRZVZKYRCG-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP CC#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001087467610 965119383 /nfs/dbraw/zinc/11/93/83/965119383.db2.gz GCYVECFOBVBDMZ-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087467610 965119391 /nfs/dbraw/zinc/11/93/91/965119391.db2.gz GCYVECFOBVBDMZ-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087467610 965119398 /nfs/dbraw/zinc/11/93/98/965119398.db2.gz GCYVECFOBVBDMZ-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087467610 965119403 /nfs/dbraw/zinc/11/94/03/965119403.db2.gz GCYVECFOBVBDMZ-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087469698 965302915 /nfs/dbraw/zinc/30/29/15/965302915.db2.gz RSGFZHXCPMPEAR-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087469698 965302920 /nfs/dbraw/zinc/30/29/20/965302920.db2.gz RSGFZHXCPMPEAR-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087469575 965307571 /nfs/dbraw/zinc/30/75/71/965307571.db2.gz KNPWYALBOCAICP-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087469575 965307580 /nfs/dbraw/zinc/30/75/80/965307580.db2.gz KNPWYALBOCAICP-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075453919 966845335 /nfs/dbraw/zinc/84/53/35/966845335.db2.gz GDCATMSJUNEZQJ-SFHLNBCPSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075453919 966845339 /nfs/dbraw/zinc/84/53/39/966845339.db2.gz GDCATMSJUNEZQJ-SFHLNBCPSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075453919 966845347 /nfs/dbraw/zinc/84/53/47/966845347.db2.gz GDCATMSJUNEZQJ-SFHLNBCPSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615845 968027141 /nfs/dbraw/zinc/02/71/41/968027141.db2.gz JIYQNPMCHZMABS-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087569805 968194735 /nfs/dbraw/zinc/19/47/35/968194735.db2.gz NQLXUMJCMIJLCB-BHDDXSALSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC#Cc1ccccc1 ZINC001087569805 968194738 /nfs/dbraw/zinc/19/47/38/968194738.db2.gz NQLXUMJCMIJLCB-BHDDXSALSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC#Cc1ccccc1 ZINC001087569805 968194745 /nfs/dbraw/zinc/19/47/45/968194745.db2.gz NQLXUMJCMIJLCB-BHDDXSALSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC#Cc1ccccc1 ZINC001087569805 968194751 /nfs/dbraw/zinc/19/47/51/968194751.db2.gz NQLXUMJCMIJLCB-BHDDXSALSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001024968357 969423496 /nfs/dbraw/zinc/42/34/96/969423496.db2.gz WNTQWIRJGGBISI-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104676842 970086483 /nfs/dbraw/zinc/08/64/83/970086483.db2.gz ZVFGKKACACJYMJ-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087840000 970522635 /nfs/dbraw/zinc/52/26/35/970522635.db2.gz CRLHZIFQDXQTNU-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC#Cc1ccccc1 ZINC001087840000 970522641 /nfs/dbraw/zinc/52/26/41/970522641.db2.gz CRLHZIFQDXQTNU-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC#Cc1ccccc1 ZINC001087840000 970522648 /nfs/dbraw/zinc/52/26/48/970522648.db2.gz CRLHZIFQDXQTNU-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC#Cc1ccccc1 ZINC001087840000 970522655 /nfs/dbraw/zinc/52/26/55/970522655.db2.gz CRLHZIFQDXQTNU-BDTNDASRSA-N 2 1 367.537 2.882 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166160 973280331 /nfs/dbraw/zinc/28/03/31/973280331.db2.gz NQICQZYIEGKXAJ-RTWAWAEBSA-N 2 1 359.558 2.855 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC#Cc3ccc(F)cc3)CCCC2)CC[N@H+]1C ZINC001268035774 975084891 /nfs/dbraw/zinc/08/48/91/975084891.db2.gz DYLBWWLVXXGVII-YLJYHZDGSA-N 2 1 371.500 2.536 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428306 975623560 /nfs/dbraw/zinc/62/35/60/975623560.db2.gz XUVCOQKYUPJOBN-YPAWHYETSA-N 2 1 367.537 2.879 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001112531544 975941649 /nfs/dbraw/zinc/94/16/49/975941649.db2.gz CQKFNHFTXAWNID-GMAHTHKFSA-N 2 1 369.553 2.955 20 30 FFEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261661323 977443001 /nfs/dbraw/zinc/44/30/01/977443001.db2.gz AUHJIPIOQHJSMD-PKOBYXMFSA-N 2 1 360.550 2.606 20 30 FFEDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116781 1014499324 /nfs/dbraw/zinc/49/93/24/1014499324.db2.gz QLQXLZUGHRNJFU-IRLDBZIGSA-N 2 1 369.509 2.769 20 30 FFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116781 1014499328 /nfs/dbraw/zinc/49/93/28/1014499328.db2.gz QLQXLZUGHRNJFU-IRLDBZIGSA-N 2 1 369.509 2.769 20 30 FFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116781 1014499333 /nfs/dbraw/zinc/49/93/33/1014499333.db2.gz QLQXLZUGHRNJFU-IRLDBZIGSA-N 2 1 369.509 2.769 20 30 FFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116781 1014499337 /nfs/dbraw/zinc/49/93/37/1014499337.db2.gz QLQXLZUGHRNJFU-IRLDBZIGSA-N 2 1 369.509 2.769 20 30 FFEDMP C=C(C)COc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1OC ZINC000877747669 1014707796 /nfs/dbraw/zinc/70/77/96/1014707796.db2.gz WWWWJBMKQRRDTO-UHFFFAOYSA-N 2 1 373.541 2.862 20 30 FFEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569504 981151546 /nfs/dbraw/zinc/15/15/46/981151546.db2.gz XDRPGFQHKXADRJ-NUJGCVRESA-N 2 1 353.938 2.973 20 30 FFEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)c(F)c1 ZINC000912498712 984050059 /nfs/dbraw/zinc/05/00/59/984050059.db2.gz FJJITDHQSCASCY-UHFFFAOYSA-N 2 1 368.472 2.521 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000912700579 984095857 /nfs/dbraw/zinc/09/58/57/984095857.db2.gz HLAGZGLWLDYGJY-FQEVSTJZSA-N 2 1 355.526 2.913 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413751 984522545 /nfs/dbraw/zinc/52/25/45/984522545.db2.gz OTLVMPGHWUCHFW-DBXWQHBBSA-N 2 1 356.514 2.781 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413751 984522553 /nfs/dbraw/zinc/52/25/53/984522553.db2.gz OTLVMPGHWUCHFW-DBXWQHBBSA-N 2 1 356.514 2.781 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2 ZINC001107439903 984541074 /nfs/dbraw/zinc/54/10/74/984541074.db2.gz ZGFDMHUXFWAMTF-QKNQBKEWSA-N 2 1 363.521 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2 ZINC001107439903 984541080 /nfs/dbraw/zinc/54/10/80/984541080.db2.gz ZGFDMHUXFWAMTF-QKNQBKEWSA-N 2 1 363.521 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCCCF)CC2 ZINC001107439903 984541085 /nfs/dbraw/zinc/54/10/85/984541085.db2.gz ZGFDMHUXFWAMTF-QKNQBKEWSA-N 2 1 363.521 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCCCF)CC2 ZINC001107439903 984541088 /nfs/dbraw/zinc/54/10/88/984541088.db2.gz ZGFDMHUXFWAMTF-QKNQBKEWSA-N 2 1 363.521 2.585 20 30 FFEDMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC#Cc1ccccc1)CC2 ZINC001107614412 984825647 /nfs/dbraw/zinc/82/56/47/984825647.db2.gz AOFPRNBLIWOZNY-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001107614412 984825672 /nfs/dbraw/zinc/82/56/72/984825672.db2.gz AOFPRNBLIWOZNY-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001107614412 984825689 /nfs/dbraw/zinc/82/56/89/984825689.db2.gz AOFPRNBLIWOZNY-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001212368303 985572179 /nfs/dbraw/zinc/57/21/79/985572179.db2.gz LHLJINMDDXCTKN-CEXWTWQISA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001212368303 985572189 /nfs/dbraw/zinc/57/21/89/985572189.db2.gz LHLJINMDDXCTKN-CEXWTWQISA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001212368303 985572193 /nfs/dbraw/zinc/57/21/93/985572193.db2.gz LHLJINMDDXCTKN-CEXWTWQISA-N 2 1 353.551 2.647 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C/c3ccccc3)[C@@H]2C)CC1 ZINC001089060075 986141963 /nfs/dbraw/zinc/14/19/63/986141963.db2.gz RDRVNDQHFLLBKF-VEONZFACSA-N 2 1 365.521 2.624 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001089060783 986144549 /nfs/dbraw/zinc/14/45/49/986144549.db2.gz GOQKQBNYLWTPQP-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001089060783 986144556 /nfs/dbraw/zinc/14/45/56/986144556.db2.gz GOQKQBNYLWTPQP-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001089060783 986144561 /nfs/dbraw/zinc/14/45/61/986144561.db2.gz GOQKQBNYLWTPQP-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP COCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879127071 1015376066 /nfs/dbraw/zinc/37/60/66/1015376066.db2.gz QJZBNPWBTLGGNG-JOCHJYFZSA-N 2 1 371.525 2.717 20 30 FFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672115 988619261 /nfs/dbraw/zinc/61/92/61/988619261.db2.gz FQTKYTBZLCCTRS-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684624 988631145 /nfs/dbraw/zinc/63/11/45/988631145.db2.gz IWUFXJKWIILNSE-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000763334300 989694907 /nfs/dbraw/zinc/69/49/07/989694907.db2.gz JUALWAMPKRBQGZ-DYESRHJHSA-N 2 1 373.541 2.587 20 30 FFEDMP C#CCOc1ccc([C@H](C)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136489 990251938 /nfs/dbraw/zinc/25/19/38/990251938.db2.gz SHLQBHSHOWMKCD-CVDCTZTESA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136489 990251944 /nfs/dbraw/zinc/25/19/44/990251944.db2.gz SHLQBHSHOWMKCD-CVDCTZTESA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136489 990251949 /nfs/dbraw/zinc/25/19/49/990251949.db2.gz SHLQBHSHOWMKCD-CVDCTZTESA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136489 990251954 /nfs/dbraw/zinc/25/19/54/990251954.db2.gz SHLQBHSHOWMKCD-CVDCTZTESA-N 2 1 364.489 2.986 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000923365080 991094741 /nfs/dbraw/zinc/09/47/41/991094741.db2.gz SEJXPGRGNPTPAH-AQNXPRMDSA-N 2 1 374.525 2.627 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001484521450 991644196 /nfs/dbraw/zinc/64/41/96/991644196.db2.gz RVCSXKZOQIMOQZ-QHAWAJNXSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151541 991816174 /nfs/dbraw/zinc/81/61/74/991816174.db2.gz YGGAPFGNCXZYLX-HBMCJLEFSA-N 2 1 371.500 2.606 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1c1ccc(F)cc1 ZINC001079155678 991857550 /nfs/dbraw/zinc/85/75/50/991857550.db2.gz NERSNJUWKPIWBC-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC[C@H]1c1ccc(F)cc1 ZINC001079162533 991869148 /nfs/dbraw/zinc/86/91/48/991869148.db2.gz OVPJCNPRKVPRIZ-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082699709 995297287 /nfs/dbraw/zinc/29/72/87/995297287.db2.gz RVQSFDSMWNFUCW-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082783288 995490927 /nfs/dbraw/zinc/49/09/27/995490927.db2.gz OMTZOKYPPBSLFX-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)nc1 ZINC001144160177 998074871 /nfs/dbraw/zinc/07/48/71/998074871.db2.gz AYXCRBQGUVISOV-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)nc1 ZINC001144160177 998074884 /nfs/dbraw/zinc/07/48/84/998074884.db2.gz AYXCRBQGUVISOV-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747185 1016241044 /nfs/dbraw/zinc/24/10/44/1016241044.db2.gz NGUCWTQNZCBEFI-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747185 1016241051 /nfs/dbraw/zinc/24/10/51/1016241051.db2.gz NGUCWTQNZCBEFI-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747185 1016241062 /nfs/dbraw/zinc/24/10/62/1016241062.db2.gz NGUCWTQNZCBEFI-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000732965201 998826974 /nfs/dbraw/zinc/82/69/74/998826974.db2.gz RYMYCTNNXQOQOR-NRFANRHFSA-N 2 1 353.510 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000732965201 998826979 /nfs/dbraw/zinc/82/69/79/998826979.db2.gz RYMYCTNNXQOQOR-NRFANRHFSA-N 2 1 353.510 2.776 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CC)c1 ZINC001085230034 999215471 /nfs/dbraw/zinc/21/54/71/999215471.db2.gz XHAITJOABOQVJU-VSKRKVRLSA-N 2 1 367.537 2.864 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CC)c1 ZINC001085230034 999215483 /nfs/dbraw/zinc/21/54/83/999215483.db2.gz XHAITJOABOQVJU-VSKRKVRLSA-N 2 1 367.537 2.864 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2csc(C)c2)CC1 ZINC001096607406 1016346590 /nfs/dbraw/zinc/34/65/90/1016346590.db2.gz AXFOCOSFNPHSCX-AABGKKOBSA-N 2 1 371.550 2.623 20 30 FFEDMP CC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595595 1000060372 /nfs/dbraw/zinc/06/03/72/1000060372.db2.gz CLJAMXMDNZKHFT-ACRUOGEOSA-N 2 1 354.498 2.641 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736782 1001180972 /nfs/dbraw/zinc/18/09/72/1001180972.db2.gz BYCJRBMEGNFMEW-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091736782 1001180976 /nfs/dbraw/zinc/18/09/76/1001180976.db2.gz BYCJRBMEGNFMEW-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736782 1001180982 /nfs/dbraw/zinc/18/09/82/1001180982.db2.gz BYCJRBMEGNFMEW-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091736782 1001180985 /nfs/dbraw/zinc/18/09/85/1001180985.db2.gz BYCJRBMEGNFMEW-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110005749 1001278646 /nfs/dbraw/zinc/27/86/46/1001278646.db2.gz AWDWVSNDFVLZBO-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110005749 1001278651 /nfs/dbraw/zinc/27/86/51/1001278651.db2.gz AWDWVSNDFVLZBO-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086882661 1001301311 /nfs/dbraw/zinc/30/13/11/1001301311.db2.gz DPRDPDNLUTZBJL-PWRODBHTSA-N 2 1 368.525 2.807 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001110014634 1001304607 /nfs/dbraw/zinc/30/46/07/1001304607.db2.gz ANFHAXWVIYCHMY-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001110014634 1001304613 /nfs/dbraw/zinc/30/46/13/1001304613.db2.gz ANFHAXWVIYCHMY-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110014634 1001304617 /nfs/dbraw/zinc/30/46/17/1001304617.db2.gz ANFHAXWVIYCHMY-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110014634 1001304622 /nfs/dbraw/zinc/30/46/22/1001304622.db2.gz ANFHAXWVIYCHMY-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957633 1002167221 /nfs/dbraw/zinc/16/72/21/1002167221.db2.gz QWFOQYFHFFMPOD-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957633 1002167229 /nfs/dbraw/zinc/16/72/29/1002167229.db2.gz QWFOQYFHFFMPOD-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092188244 1002479857 /nfs/dbraw/zinc/47/98/57/1002479857.db2.gz LDRWEHBTWINFEP-IRLDBZIGSA-N 2 1 359.558 2.855 20 30 FFEDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000793369759 1003345249 /nfs/dbraw/zinc/34/52/49/1003345249.db2.gz LIPVGOSWOZCTMG-MRXNPFEDSA-N 2 1 352.438 2.703 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001489097194 1005408057 /nfs/dbraw/zinc/40/80/57/1005408057.db2.gz YEWWWZQUZUYRGF-NHCUHLMSSA-N 2 1 371.500 2.609 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001489097194 1005408060 /nfs/dbraw/zinc/40/80/60/1005408060.db2.gz YEWWWZQUZUYRGF-NHCUHLMSSA-N 2 1 371.500 2.609 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000852887496 1006222213 /nfs/dbraw/zinc/22/22/13/1006222213.db2.gz BBXJBUOVYPGHBS-FGZHOGPDSA-N 2 1 365.521 2.503 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)C1 ZINC000884186288 1007298978 /nfs/dbraw/zinc/29/89/78/1007298978.db2.gz WNGXBYSORCFTIB-PCQTWAEBSA-N 2 1 366.509 2.996 20 30 FFEDMP CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC001135836835 1007478817 /nfs/dbraw/zinc/47/88/17/1007478817.db2.gz YDYKKVLHOPGBRF-UHFFFAOYSA-N 2 1 368.525 2.857 20 30 FFEDMP CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC001135836835 1007478824 /nfs/dbraw/zinc/47/88/24/1007478824.db2.gz YDYKKVLHOPGBRF-UHFFFAOYSA-N 2 1 368.525 2.857 20 30 FFEDMP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861347 1007539045 /nfs/dbraw/zinc/53/90/45/1007539045.db2.gz CZTNGJFLCUPEHB-MBOZVWFJSA-N 2 1 356.514 2.663 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001086803704 1007578306 /nfs/dbraw/zinc/57/83/06/1007578306.db2.gz VZTLMRWIWKWZDS-LSDHHAIUSA-N 2 1 366.893 2.511 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747417 1008369607 /nfs/dbraw/zinc/36/96/07/1008369607.db2.gz PMPQPMYGAYRUDW-AFYVEPGGSA-N 2 1 356.514 2.984 20 30 FFEDMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCCC1 ZINC000714217626 1010157890 /nfs/dbraw/zinc/15/78/90/1010157890.db2.gz NBVWYYLTIHAEAB-LJQANCHMSA-N 2 1 356.514 2.959 20 30 FFEDMP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)c1 ZINC001110153336 1010822058 /nfs/dbraw/zinc/82/20/58/1010822058.db2.gz UHQDHBCKTHGKIG-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(=C)C)CC3)CC1 ZINC001094581395 1011262062 /nfs/dbraw/zinc/26/20/62/1011262062.db2.gz AONGOXOZZQZXLA-IFMALSPDSA-N 2 1 357.542 2.659 20 30 FFEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172307030 1011736774 /nfs/dbraw/zinc/73/67/74/1011736774.db2.gz ZNOPQNBZSUOSCN-SFHVURJKSA-N 2 1 363.509 2.840 20 30 FFEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172299187 1011755918 /nfs/dbraw/zinc/75/59/18/1011755918.db2.gz JZBABRJUEVQZBO-YSZBQJHXSA-N 2 1 363.505 2.962 20 30 FFEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172299187 1011755929 /nfs/dbraw/zinc/75/59/29/1011755929.db2.gz JZBABRJUEVQZBO-YSZBQJHXSA-N 2 1 363.505 2.962 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000303779614 1012428713 /nfs/dbraw/zinc/42/87/13/1012428713.db2.gz KRXFJWXOWWNFTA-RXVVDRJESA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000303779614 1012428728 /nfs/dbraw/zinc/42/87/28/1012428728.db2.gz KRXFJWXOWWNFTA-RXVVDRJESA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000303779614 1012428745 /nfs/dbraw/zinc/42/87/45/1012428745.db2.gz KRXFJWXOWWNFTA-RXVVDRJESA-N 3 1 371.573 2.950 20 30 FFEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NC2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303889433 1012500776 /nfs/dbraw/zinc/50/07/76/1012500776.db2.gz LVZUEMQIGLUAJW-HXUWFJFHSA-N 2 1 357.546 2.602 20 30 FFEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NC2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303889433 1012500792 /nfs/dbraw/zinc/50/07/92/1012500792.db2.gz LVZUEMQIGLUAJW-HXUWFJFHSA-N 2 1 357.546 2.602 20 30 FFEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NC2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303889433 1012500811 /nfs/dbraw/zinc/50/08/11/1012500811.db2.gz LVZUEMQIGLUAJW-HXUWFJFHSA-N 2 1 357.546 2.602 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NCCc3cccs3)c2)CCO1 ZINC000303897368 1012505916 /nfs/dbraw/zinc/50/59/16/1012505916.db2.gz UZFGGFGWSLCQSN-MRXNPFEDSA-N 2 1 372.538 2.616 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NCCc3cccs3)c2)CCO1 ZINC000303897368 1012505931 /nfs/dbraw/zinc/50/59/31/1012505931.db2.gz UZFGGFGWSLCQSN-MRXNPFEDSA-N 2 1 372.538 2.616 20 30 FFEDMP N#Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C3CC[NH2+]CC3)CC2)cc1 ZINC001173434131 1012601005 /nfs/dbraw/zinc/60/10/05/1012601005.db2.gz FJHXYIXXYVFLDD-UHFFFAOYSA-N 2 1 363.465 2.699 20 30 FFEDMP CCOc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1OC(F)F ZINC000305030902 1013033312 /nfs/dbraw/zinc/03/33/12/1013033312.db2.gz QXSVYNYSHQEMON-CQSZACIVSA-N 2 1 370.444 2.575 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001052395514 1017396984 /nfs/dbraw/zinc/39/69/84/1017396984.db2.gz SZHSHKWFFVYKEL-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC001052395514 1017396997 /nfs/dbraw/zinc/39/69/97/1017396997.db2.gz SZHSHKWFFVYKEL-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC001052395514 1017397004 /nfs/dbraw/zinc/39/70/04/1017397004.db2.gz SZHSHKWFFVYKEL-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C/CCC)CC1 ZINC001111455034 1017941418 /nfs/dbraw/zinc/94/14/18/1017941418.db2.gz JIOFNUONSZZHEW-ICFISGCASA-N 2 1 357.542 2.800 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000901354569 1018995897 /nfs/dbraw/zinc/99/58/97/1018995897.db2.gz LVAWYEXVCKVEMD-UXHICEINSA-N 2 1 357.498 2.597 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221739 1032831241 /nfs/dbraw/zinc/83/12/41/1032831241.db2.gz RKLYUOPQCQGQCE-SFHVURJKSA-N 2 1 358.482 2.759 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221739 1032831248 /nfs/dbraw/zinc/83/12/48/1032831248.db2.gz RKLYUOPQCQGQCE-SFHVURJKSA-N 2 1 358.482 2.759 20 30 FFEDMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1CC)CC[NH2+]CC2 ZINC001222230566 1032839593 /nfs/dbraw/zinc/83/95/93/1032839593.db2.gz BBPFVXOAPQBGHF-IBGZPJMESA-N 2 1 355.482 2.628 20 30 FFEDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1CC)CC[NH2+]CC2 ZINC001222230566 1032839616 /nfs/dbraw/zinc/83/96/16/1032839616.db2.gz BBPFVXOAPQBGHF-IBGZPJMESA-N 2 1 355.482 2.628 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)s1 ZINC001111459315 1021092525 /nfs/dbraw/zinc/09/25/25/1021092525.db2.gz UNSSPJCZMBACSJ-LZQZEXGQSA-N 2 1 372.538 2.717 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)s1 ZINC001111459315 1021092534 /nfs/dbraw/zinc/09/25/34/1021092534.db2.gz UNSSPJCZMBACSJ-LZQZEXGQSA-N 2 1 372.538 2.717 20 30 FFEDMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001098984796 1021530124 /nfs/dbraw/zinc/53/01/24/1021530124.db2.gz SXEJUZBERPLMCM-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001098984796 1021530133 /nfs/dbraw/zinc/53/01/33/1021530133.db2.gz SXEJUZBERPLMCM-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001098984796 1021530143 /nfs/dbraw/zinc/53/01/43/1021530143.db2.gz SXEJUZBERPLMCM-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001098984796 1021530147 /nfs/dbraw/zinc/53/01/47/1021530147.db2.gz SXEJUZBERPLMCM-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001099028202 1021627220 /nfs/dbraw/zinc/62/72/20/1021627220.db2.gz VDVBICOTHLFANP-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001099028202 1021627232 /nfs/dbraw/zinc/62/72/32/1021627232.db2.gz VDVBICOTHLFANP-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001099028202 1021627240 /nfs/dbraw/zinc/62/72/40/1021627240.db2.gz VDVBICOTHLFANP-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001099028202 1021627247 /nfs/dbraw/zinc/62/72/47/1021627247.db2.gz VDVBICOTHLFANP-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C[NH2+]C[C@H]2C#N)cc13 ZINC001218200098 1033045530 /nfs/dbraw/zinc/04/55/30/1033045530.db2.gz DYSIVKYYAFHKLS-QKINTPNGSA-N 2 1 351.494 2.865 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c(OC)c1 ZINC000754742065 1023511299 /nfs/dbraw/zinc/51/12/99/1023511299.db2.gz WFMABJBGNLQIMH-GUDVDZBRSA-N 2 1 360.498 2.813 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101284038 1024324009 /nfs/dbraw/zinc/32/40/09/1024324009.db2.gz JVWYFOKMVKKDFB-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101284038 1024324026 /nfs/dbraw/zinc/32/40/26/1024324026.db2.gz JVWYFOKMVKKDFB-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101284038 1024324042 /nfs/dbraw/zinc/32/40/42/1024324042.db2.gz JVWYFOKMVKKDFB-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001101301028 1024389347 /nfs/dbraw/zinc/38/93/47/1024389347.db2.gz DWAVQUVYJYUMPN-HMFYCAOWSA-N 2 1 370.541 2.897 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001101301028 1024389360 /nfs/dbraw/zinc/38/93/60/1024389360.db2.gz DWAVQUVYJYUMPN-HMFYCAOWSA-N 2 1 370.541 2.897 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000195466318 1025023273 /nfs/dbraw/zinc/02/32/73/1025023273.db2.gz WHDWOUQGIQQYCC-BGYRXZFFSA-N 2 1 370.541 2.818 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000195466318 1025023287 /nfs/dbraw/zinc/02/32/87/1025023287.db2.gz WHDWOUQGIQQYCC-BGYRXZFFSA-N 2 1 370.541 2.818 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102373215 1025835283 /nfs/dbraw/zinc/83/52/83/1025835283.db2.gz YVOYZTDISOAAEJ-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102373215 1025835305 /nfs/dbraw/zinc/83/53/05/1025835305.db2.gz YVOYZTDISOAAEJ-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102373215 1025835324 /nfs/dbraw/zinc/83/53/24/1025835324.db2.gz YVOYZTDISOAAEJ-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375355 1025845842 /nfs/dbraw/zinc/84/58/42/1025845842.db2.gz DQESPGFRQWMERD-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375355 1025845859 /nfs/dbraw/zinc/84/58/59/1025845859.db2.gz DQESPGFRQWMERD-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375355 1025845877 /nfs/dbraw/zinc/84/58/77/1025845877.db2.gz DQESPGFRQWMERD-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987569 1026858032 /nfs/dbraw/zinc/85/80/32/1026858032.db2.gz HRHZSSCFWFLREX-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987569 1026858039 /nfs/dbraw/zinc/85/80/39/1026858039.db2.gz HRHZSSCFWFLREX-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987569 1026858045 /nfs/dbraw/zinc/85/80/45/1026858045.db2.gz HRHZSSCFWFLREX-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1C#N ZINC001162675094 1028619264 /nfs/dbraw/zinc/61/92/64/1028619264.db2.gz GYHFGHJHXVKBSW-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001163027197 1028762648 /nfs/dbraw/zinc/76/26/48/1028762648.db2.gz JOYKKORYFZQPLH-SFHVURJKSA-N 2 1 352.486 2.706 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112110472 1030029370 /nfs/dbraw/zinc/02/93/70/1030029370.db2.gz QVODOKYBKNUFFA-OAGGEKHMSA-N 2 1 361.452 2.806 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131036 1030072943 /nfs/dbraw/zinc/07/29/43/1030072943.db2.gz GZAOUMFLOSVZQZ-NWANDNLSSA-N 2 1 358.408 2.525 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205390918 1031705067 /nfs/dbraw/zinc/70/50/67/1031705067.db2.gz ILPGDLJHQVQTKZ-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205408044 1031720115 /nfs/dbraw/zinc/72/01/15/1031720115.db2.gz RGKNDOCSMCQSHV-HBMCJLEFSA-N 2 1 371.500 2.606 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452398 1031757939 /nfs/dbraw/zinc/75/79/39/1031757939.db2.gz DIKFLVKOGXOOGU-ZWKOTPCHSA-N 2 1 367.896 2.804 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205645216 1031902042 /nfs/dbraw/zinc/90/20/42/1031902042.db2.gz WYTBRJUKGHKBQV-FUHWJXTLSA-N 2 1 367.896 2.804 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052169 1033491099 /nfs/dbraw/zinc/49/10/99/1033491099.db2.gz JEVSMQYHWBRFAQ-VQTJNVASSA-N 2 1 363.546 2.520 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073770 1033972389 /nfs/dbraw/zinc/97/23/89/1033972389.db2.gz LRDIOCSCRSWFSV-UXHICEINSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073770 1033972392 /nfs/dbraw/zinc/97/23/92/1033972392.db2.gz LRDIOCSCRSWFSV-UXHICEINSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073770 1033972405 /nfs/dbraw/zinc/97/24/05/1033972405.db2.gz LRDIOCSCRSWFSV-UXHICEINSA-N 2 1 367.578 2.773 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001221712513 1035003953 /nfs/dbraw/zinc/00/39/53/1035003953.db2.gz DJIMVQSOCAVJEY-TZIWHRDSSA-N 2 1 355.526 2.903 20 30 FFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001139528072 1035148313 /nfs/dbraw/zinc/14/83/13/1035148313.db2.gz MGQQPAHKBFXLHB-FPOVZHCZSA-N 2 1 357.473 2.878 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234970509 1037269592 /nfs/dbraw/zinc/26/95/92/1037269592.db2.gz ISUMJDCLZHELLE-DENIHFKCSA-N 2 1 362.477 2.746 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234970509 1037269610 /nfs/dbraw/zinc/26/96/10/1037269610.db2.gz ISUMJDCLZHELLE-DENIHFKCSA-N 2 1 362.477 2.746 20 30 FFEDMP N#Cc1cccc(CCC[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001208849598 1038554579 /nfs/dbraw/zinc/55/45/79/1038554579.db2.gz JOTXCSVDSKOLFP-UHFFFAOYSA-N 2 1 363.509 2.841 20 30 FFEDMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+]C1CCC(C#N)CC1 ZINC001256958781 1038663051 /nfs/dbraw/zinc/66/30/51/1038663051.db2.gz PGNBPROWQUQUND-UHFFFAOYSA-N 2 1 352.523 2.895 20 30 FFEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209723636 1039159806 /nfs/dbraw/zinc/15/98/06/1039159806.db2.gz DDMVQSXSGWCFFZ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209725616 1039160586 /nfs/dbraw/zinc/16/05/86/1039160586.db2.gz QXUKKWOQIWWSCL-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909457 1039576144 /nfs/dbraw/zinc/57/61/44/1039576144.db2.gz DUCJWJDUYBAWTN-PKOBYXMFSA-N 2 1 363.550 2.910 20 30 FFEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909457 1039576152 /nfs/dbraw/zinc/57/61/52/1039576152.db2.gz DUCJWJDUYBAWTN-PKOBYXMFSA-N 2 1 363.550 2.910 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC001278681226 1039690999 /nfs/dbraw/zinc/69/09/99/1039690999.db2.gz VVUQSSXQGWPFSM-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252984902 1039894768 /nfs/dbraw/zinc/89/47/68/1039894768.db2.gz BLGAREPUMVMCFP-IBGZPJMESA-N 2 1 355.567 2.632 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213310 1040342459 /nfs/dbraw/zinc/34/24/59/1040342459.db2.gz KJOFKCSDBVQOJT-GUDVDZBRSA-N 2 1 365.562 2.669 20 30 FFEDMP N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278749953 1040458260 /nfs/dbraw/zinc/45/82/60/1040458260.db2.gz SROFXJJLFDERQP-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cc(F)ccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278749953 1040458265 /nfs/dbraw/zinc/45/82/65/1040458265.db2.gz SROFXJJLFDERQP-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cc(F)ccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278749953 1040458271 /nfs/dbraw/zinc/45/82/71/1040458271.db2.gz SROFXJJLFDERQP-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604468 1041836633 /nfs/dbraw/zinc/83/66/33/1041836633.db2.gz CLISSLHACYJCOY-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001264020344 1042586149 /nfs/dbraw/zinc/58/61/49/1042586149.db2.gz ZUJWJKLERUGPFQ-YFVAEKQCSA-N 2 1 370.541 2.774 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC#Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC001265735156 1042874344 /nfs/dbraw/zinc/87/43/44/1042874344.db2.gz NCYHCOMHFUMDNX-XZSMBWTPSA-N 2 1 371.500 2.534 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC#Cc2ccccc2)CC[N@H+]1C ZINC001266214993 1042901616 /nfs/dbraw/zinc/90/16/16/1042901616.db2.gz HCWBPLQUISMYRV-BAGYTPMASA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001266214993 1042901618 /nfs/dbraw/zinc/90/16/18/1042901618.db2.gz HCWBPLQUISMYRV-BAGYTPMASA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001266214993 1042901623 /nfs/dbraw/zinc/90/16/23/1042901623.db2.gz HCWBPLQUISMYRV-BAGYTPMASA-N 2 1 367.537 2.739 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](Cc4cnoc4)CC3)C2)cc1C#N ZINC001279380098 1043039125 /nfs/dbraw/zinc/03/91/25/1043039125.db2.gz QODZIIBARPHSHE-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnsc2)CC3)cc1C#N ZINC001279563762 1043263675 /nfs/dbraw/zinc/26/36/75/1043263675.db2.gz DCJVLCTYDLNPBW-UHFFFAOYSA-N 2 1 355.511 2.841 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001316812639 1045033462 /nfs/dbraw/zinc/03/34/62/1045033462.db2.gz AAHGMFFWRZLJIB-HBMCJLEFSA-N 2 1 371.525 2.640 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CC#Cc2ccccc2)C(C)C)CC[N@@H+]1C ZINC001332708260 1048519962 /nfs/dbraw/zinc/51/99/62/1048519962.db2.gz WUDPBSALTSDLHL-FCHUYYIVSA-N 2 1 369.553 2.937 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CC#Cc2ccccc2)C(C)C)CC[N@H+]1C ZINC001332708260 1048519980 /nfs/dbraw/zinc/51/99/80/1048519980.db2.gz WUDPBSALTSDLHL-FCHUYYIVSA-N 2 1 369.553 2.937 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[N@H+](C)CC#Cc2ccccc2)C(C)C)CC[NH+]1C ZINC001332708260 1048519990 /nfs/dbraw/zinc/51/99/90/1048519990.db2.gz WUDPBSALTSDLHL-FCHUYYIVSA-N 2 1 369.553 2.937 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC[N@@H+](C)CC#Cc2ccccc2)C(C)C)CC[NH+]1C ZINC001332708260 1048519998 /nfs/dbraw/zinc/51/99/98/1048519998.db2.gz WUDPBSALTSDLHL-FCHUYYIVSA-N 2 1 369.553 2.937 20 30 FFEDMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342413243 1051008001 /nfs/dbraw/zinc/00/80/01/1051008001.db2.gz CXIWJMLQJSQXTJ-UHFFFAOYSA-N 2 1 360.550 2.617 20 30 FFEDMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001342413243 1051008011 /nfs/dbraw/zinc/00/80/11/1051008011.db2.gz CXIWJMLQJSQXTJ-UHFFFAOYSA-N 2 1 360.550 2.617 20 30 FFEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001872165 1055679215 /nfs/dbraw/zinc/67/92/15/1055679215.db2.gz UWUOINYAQFSDFD-RTWAWAEBSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCn1c(CN2CCCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001339569069 1056593366 /nfs/dbraw/zinc/59/33/66/1056593366.db2.gz ZHCLNISMBBAXTM-SFHVURJKSA-N 2 1 360.550 2.618 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(C#N)cc2)C(C)(C)C)CC[N@H+]1C ZINC001507948978 1059762552 /nfs/dbraw/zinc/76/25/52/1059762552.db2.gz PVTFKZRRJPMPRK-ATZDWAIDSA-N 2 1 356.514 2.519 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001477561226 1061737455 /nfs/dbraw/zinc/73/74/55/1061737455.db2.gz QSCFKUMEUPOEIB-NRFANRHFSA-N 2 1 370.541 2.714 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001479573756 1062566294 /nfs/dbraw/zinc/56/62/94/1062566294.db2.gz YDFMJXLTNKIWIS-QBIMZIAESA-N 2 1 364.921 2.723 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC001467728000 1063832879 /nfs/dbraw/zinc/83/28/79/1063832879.db2.gz ZNTCEATWGAGVOC-UHFFFAOYSA-N 2 1 364.559 2.630 20 30 FFEDMP CC(C)N(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001575681496 1078163351 /nfs/dbraw/zinc/16/33/51/1078163351.db2.gz NGHGJNUJOGFIFK-OAQYLSRUSA-N 2 1 353.510 2.501 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420886 250313818 /nfs/dbraw/zinc/31/38/18/250313818.db2.gz KEPRQJAMWUUHDO-OAQYLSRUSA-N 2 1 362.477 2.545 20 30 FFEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000377626214 512361648 /nfs/dbraw/zinc/36/16/48/512361648.db2.gz MAKJJKBIPHZZSG-FQEVSTJZSA-N 2 1 373.541 2.860 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000075322987 508097277 /nfs/dbraw/zinc/09/72/77/508097277.db2.gz VJKFRFIIBBGRNK-NRFANRHFSA-N 2 1 367.537 2.702 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000111496034 508104268 /nfs/dbraw/zinc/10/42/68/508104268.db2.gz ZCLCPFMRDAPFBP-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000111496034 508104270 /nfs/dbraw/zinc/10/42/70/508104270.db2.gz ZCLCPFMRDAPFBP-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000111883636 508134034 /nfs/dbraw/zinc/13/40/34/508134034.db2.gz PSDAKNWXHWOERU-HXUWFJFHSA-N 2 1 371.529 2.506 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158196436 508670549 /nfs/dbraw/zinc/67/05/49/508670549.db2.gz KCQQIPVPSSGIEP-HIFRSBDPSA-N 2 1 361.515 2.797 20 30 FFEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1C ZINC000123465403 508690774 /nfs/dbraw/zinc/69/07/74/508690774.db2.gz QWZNHSKNEPZBIE-UONOGXRCSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@H+]1C ZINC000123465403 508690777 /nfs/dbraw/zinc/69/07/77/508690777.db2.gz QWZNHSKNEPZBIE-UONOGXRCSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465403 508690781 /nfs/dbraw/zinc/69/07/81/508690781.db2.gz QWZNHSKNEPZBIE-UONOGXRCSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465403 508690784 /nfs/dbraw/zinc/69/07/84/508690784.db2.gz QWZNHSKNEPZBIE-UONOGXRCSA-N 2 1 360.527 2.852 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000150913163 508921098 /nfs/dbraw/zinc/92/10/98/508921098.db2.gz PPMSXSDUYHUKBF-QIDMFYOTSA-N 2 1 367.537 2.604 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248404160 509299196 /nfs/dbraw/zinc/29/91/96/509299196.db2.gz ZXTZTCHKVUIABH-PSHVLCQKSA-N 2 1 370.541 2.741 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248404160 509299204 /nfs/dbraw/zinc/29/92/04/509299204.db2.gz ZXTZTCHKVUIABH-PSHVLCQKSA-N 2 1 370.541 2.741 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000245678832 510079024 /nfs/dbraw/zinc/07/90/24/510079024.db2.gz GFAKZSGNXBZNJA-CEXWTWQISA-N 2 1 350.551 2.809 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957226 510128511 /nfs/dbraw/zinc/12/85/11/510128511.db2.gz JCVHJEGHELHXTL-FUHWJXTLSA-N 2 1 356.514 2.940 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000262025234 510150620 /nfs/dbraw/zinc/15/06/20/510150620.db2.gz NLSBVBSZPVMTAH-MRXNPFEDSA-N 2 1 365.905 2.724 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000262025234 510150624 /nfs/dbraw/zinc/15/06/24/510150624.db2.gz NLSBVBSZPVMTAH-MRXNPFEDSA-N 2 1 365.905 2.724 20 30 FFEDMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190604762 510234087 /nfs/dbraw/zinc/23/40/87/510234087.db2.gz NRCAUNZBEWUOTP-IBGZPJMESA-N 2 1 354.498 2.512 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000171700053 510314642 /nfs/dbraw/zinc/31/46/42/510314642.db2.gz JCCSJSJAXFSBQF-GOSISDBHSA-N 2 1 364.921 2.892 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926150 510749844 /nfs/dbraw/zinc/74/98/44/510749844.db2.gz QGLRTPNVLFGKRN-QXAKKESOSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926150 510749849 /nfs/dbraw/zinc/74/98/49/510749849.db2.gz QGLRTPNVLFGKRN-QXAKKESOSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926150 510749856 /nfs/dbraw/zinc/74/98/56/510749856.db2.gz QGLRTPNVLFGKRN-QXAKKESOSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926150 510749865 /nfs/dbraw/zinc/74/98/65/510749865.db2.gz QGLRTPNVLFGKRN-QXAKKESOSA-N 2 1 362.514 2.578 20 30 FFEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293326916 511923999 /nfs/dbraw/zinc/92/39/99/511923999.db2.gz MJWCWHFYWZSOMK-LJQANCHMSA-N 2 1 368.525 2.735 20 30 FFEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328801409 511933575 /nfs/dbraw/zinc/93/35/75/511933575.db2.gz ZHEDCEUKVRFICD-WNKNEZEQSA-N 2 1 360.546 2.723 20 30 FFEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328801410 511933609 /nfs/dbraw/zinc/93/36/09/511933609.db2.gz ZHEDCEUKVRFICD-YWDUDDICSA-N 2 1 360.546 2.723 20 30 FFEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000329135240 511990010 /nfs/dbraw/zinc/99/00/10/511990010.db2.gz GIAZOURMSDCGCA-SJORKVTESA-N 2 1 359.518 2.627 20 30 FFEDMP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)o1 ZINC000329221363 512007971 /nfs/dbraw/zinc/00/79/71/512007971.db2.gz URRZOPMHKCXFGL-IAGOWNOFSA-N 2 1 363.506 2.798 20 30 FFEDMP O=C(C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329354744 512031853 /nfs/dbraw/zinc/03/18/53/512031853.db2.gz VNNYEVOIWCMJSR-LJQANCHMSA-N 2 1 367.497 2.866 20 30 FFEDMP Cc1cnccc1OC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329785945 512097431 /nfs/dbraw/zinc/09/74/31/512097431.db2.gz QIDCIMPCHPBBEV-UHFFFAOYSA-N 2 1 372.513 2.817 20 30 FFEDMP C(#CC[N@H+]1CCCC2(CCOCC2)C1)C[NH+]1CCCC2(CCOCC2)C1 ZINC000367447711 512502746 /nfs/dbraw/zinc/50/27/46/512502746.db2.gz KOXSNEXKCXHHRK-UHFFFAOYSA-N 2 1 360.542 2.775 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000367495557 512529982 /nfs/dbraw/zinc/52/99/82/512529982.db2.gz OSDBWUSMPNAUQR-JOCHJYFZSA-N 2 1 368.525 2.737 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367495557 512529988 /nfs/dbraw/zinc/52/99/88/512529988.db2.gz OSDBWUSMPNAUQR-JOCHJYFZSA-N 2 1 368.525 2.737 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367495557 512529993 /nfs/dbraw/zinc/52/99/93/512529993.db2.gz OSDBWUSMPNAUQR-JOCHJYFZSA-N 2 1 368.525 2.737 20 30 FFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000420979818 514415222 /nfs/dbraw/zinc/41/52/22/514415222.db2.gz KRCJGCMHCQNCNH-UHFFFAOYSA-N 2 1 356.514 2.559 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362441 516379897 /nfs/dbraw/zinc/37/98/97/516379897.db2.gz APHPFZVEKVCWJP-PZJWPPBQSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362441 516379907 /nfs/dbraw/zinc/37/99/07/516379907.db2.gz APHPFZVEKVCWJP-PZJWPPBQSA-N 2 1 371.525 2.742 20 30 FFEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000579048206 518493730 /nfs/dbraw/zinc/49/37/30/518493730.db2.gz WMDOVIRYKCOSGQ-UHFFFAOYSA-N 2 1 354.420 2.646 20 30 FFEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609137202 520203802 /nfs/dbraw/zinc/20/38/02/520203802.db2.gz RDVWWFSDBABTQQ-FQEVSTJZSA-N 2 1 359.514 2.545 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609166472 520217568 /nfs/dbraw/zinc/21/75/68/520217568.db2.gz CZWOOVBVUHFNAL-UHFFFAOYSA-N 2 1 374.448 2.564 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000600747462 520444906 /nfs/dbraw/zinc/44/49/06/520444906.db2.gz XNMKGQNTVMHGIU-VQTJNVASSA-N 2 1 353.510 2.933 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000594303387 521548543 /nfs/dbraw/zinc/54/85/43/521548543.db2.gz AYHXQAALLJPHCU-KRWDZBQOSA-N 2 1 368.525 2.932 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)NC[C@H]1CCCS1 ZINC000157425815 728872260 /nfs/dbraw/zinc/87/22/60/728872260.db2.gz NYBPHJAWEKZRBR-OAHLLOKOSA-N 2 1 361.490 2.880 20 30 FFEDMP C[NH+]=C(NCc1ccc(Br)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261809894 729653996 /nfs/dbraw/zinc/65/39/96/729653996.db2.gz SLAWSEQXXQQULK-ZWNOBZJWSA-N 2 1 371.348 2.658 20 30 FFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1ccc(Br)cc1 ZINC000262513865 729667676 /nfs/dbraw/zinc/66/76/76/729667676.db2.gz CDPUFQXYOVHARK-UHFFFAOYSA-N 2 1 364.291 2.661 20 30 FFEDMP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000263062297 729678071 /nfs/dbraw/zinc/67/80/71/729678071.db2.gz FQOXQERWLGEZHX-CVEARBPZSA-N 2 1 363.303 2.512 20 30 FFEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCCC2)cc1 ZINC000303786967 729734671 /nfs/dbraw/zinc/73/46/71/729734671.db2.gz RWSACFLYRXOYIV-GOSISDBHSA-N 2 1 362.543 2.586 20 30 FFEDMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530729 738298486 /nfs/dbraw/zinc/29/84/86/738298486.db2.gz ITPBQGFAFDVZPU-KATARQTJSA-N 2 1 366.296 2.945 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000778155836 738359424 /nfs/dbraw/zinc/35/94/24/738359424.db2.gz IKJXWGWZTWEWOI-UHFFFAOYSA-N 2 1 363.933 2.859 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054133883 745003516 /nfs/dbraw/zinc/00/35/16/745003516.db2.gz PBGZVACXPPMELB-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133883 745003522 /nfs/dbraw/zinc/00/35/22/745003522.db2.gz PBGZVACXPPMELB-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133883 745003528 /nfs/dbraw/zinc/00/35/28/745003528.db2.gz PBGZVACXPPMELB-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=CC[C@@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCC1(C)C ZINC000683559611 961039373 /nfs/dbraw/zinc/03/93/73/961039373.db2.gz PHXWWJJMFRSSBI-MJGOQNOKSA-N 2 1 362.562 2.931 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001075420903 963940499 /nfs/dbraw/zinc/94/04/99/963940499.db2.gz AHQKOSSBMSKTFJ-KRZXBLKESA-N 2 1 373.516 2.874 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087476778 965654369 /nfs/dbraw/zinc/65/43/69/965654369.db2.gz FPKGBNHGTQXXQJ-SFTDATJTSA-N 2 1 371.525 2.641 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001075454101 966849141 /nfs/dbraw/zinc/84/91/41/966849141.db2.gz LEAOTDPYASWSBB-HLAWJBBLSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)CC1 ZINC001075454101 966849150 /nfs/dbraw/zinc/84/91/50/966849150.db2.gz LEAOTDPYASWSBB-HLAWJBBLSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)CC1 ZINC001075454101 966849156 /nfs/dbraw/zinc/84/91/56/966849156.db2.gz LEAOTDPYASWSBB-HLAWJBBLSA-N 2 1 359.558 2.691 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516862 968014810 /nfs/dbraw/zinc/01/48/10/968014810.db2.gz GTQHASGTCCZYRO-DWRORGKVSA-N 2 1 353.938 2.688 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627706 968423212 /nfs/dbraw/zinc/42/32/12/968423212.db2.gz OORAFYLNSLBIFQ-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087725380 968761193 /nfs/dbraw/zinc/76/11/93/968761193.db2.gz MVEBPZFQAVGUSY-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087725380 968761200 /nfs/dbraw/zinc/76/12/00/968761200.db2.gz MVEBPZFQAVGUSY-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087725380 968761208 /nfs/dbraw/zinc/76/12/08/968761208.db2.gz MVEBPZFQAVGUSY-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087750211 968893253 /nfs/dbraw/zinc/89/32/53/968893253.db2.gz YLGZIURQCOYGSJ-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211632767 969065867 /nfs/dbraw/zinc/06/58/67/969065867.db2.gz LMIBGYYIYDPERQ-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115800 972891308 /nfs/dbraw/zinc/89/13/08/972891308.db2.gz NTUSUCNAWOMESY-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115800 972891318 /nfs/dbraw/zinc/89/13/18/972891318.db2.gz NTUSUCNAWOMESY-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115800 972891326 /nfs/dbraw/zinc/89/13/26/972891326.db2.gz NTUSUCNAWOMESY-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP COc1c[nH+]ccc1N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000796575421 1014375287 /nfs/dbraw/zinc/37/52/87/1014375287.db2.gz MVRWXGVLHHDPBN-UHFFFAOYSA-N 2 1 352.438 2.553 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087438492 977370938 /nfs/dbraw/zinc/37/09/38/977370938.db2.gz AUYRLNSEUWAJEG-NHCUHLMSSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001087458230 977923508 /nfs/dbraw/zinc/92/35/08/977923508.db2.gz QZNBXTLZDHCMTF-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087458230 977923517 /nfs/dbraw/zinc/92/35/17/977923517.db2.gz QZNBXTLZDHCMTF-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087458230 977923526 /nfs/dbraw/zinc/92/35/26/977923526.db2.gz QZNBXTLZDHCMTF-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087458230 977923532 /nfs/dbraw/zinc/92/35/32/977923532.db2.gz QZNBXTLZDHCMTF-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693405 982797965 /nfs/dbraw/zinc/79/79/65/982797965.db2.gz YEGOWMQLVSDRHS-HJNYFJLDSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693405 982797967 /nfs/dbraw/zinc/79/79/67/982797967.db2.gz YEGOWMQLVSDRHS-HJNYFJLDSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693405 982797971 /nfs/dbraw/zinc/79/79/71/982797971.db2.gz YEGOWMQLVSDRHS-HJNYFJLDSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693405 982797973 /nfs/dbraw/zinc/79/79/73/982797973.db2.gz YEGOWMQLVSDRHS-HJNYFJLDSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC#Cc1ccccc1)CC2 ZINC001107646313 984936403 /nfs/dbraw/zinc/93/64/03/984936403.db2.gz GXEWVLQMFXNJQG-FYYLOGMGSA-N 2 1 367.537 2.739 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC#Cc1ccccc1)CC2 ZINC001107646313 984936406 /nfs/dbraw/zinc/93/64/06/984936406.db2.gz GXEWVLQMFXNJQG-FYYLOGMGSA-N 2 1 367.537 2.739 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001107646313 984936412 /nfs/dbraw/zinc/93/64/12/984936412.db2.gz GXEWVLQMFXNJQG-FYYLOGMGSA-N 2 1 367.537 2.739 20 30 FFEDMP CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059462 986139879 /nfs/dbraw/zinc/13/98/79/986139879.db2.gz NDLSOAJAQGILST-QMMLZNLJSA-N 2 1 371.500 2.631 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)C2)[C@H]1C(C)C ZINC000922394320 988556972 /nfs/dbraw/zinc/55/69/72/988556972.db2.gz QHILYVCCYNTAGQ-UKAVVXHISA-N 2 1 357.498 2.526 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001034216807 989976208 /nfs/dbraw/zinc/97/62/08/989976208.db2.gz LNVNPHPWQNDNGR-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001034216807 989976215 /nfs/dbraw/zinc/97/62/15/989976215.db2.gz LNVNPHPWQNDNGR-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001034216807 989976220 /nfs/dbraw/zinc/97/62/20/989976220.db2.gz LNVNPHPWQNDNGR-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001034649579 990152714 /nfs/dbraw/zinc/15/27/14/990152714.db2.gz LHVAZJGVNHYNAM-XSDIEEQYSA-N 2 1 368.525 2.806 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC[C@H]1c1ccc(F)cc1 ZINC001079152626 991817560 /nfs/dbraw/zinc/81/75/60/991817560.db2.gz WELZIJIEEXTDCQ-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1c1ccc(F)cc1 ZINC001079162509 991869107 /nfs/dbraw/zinc/86/91/07/991869107.db2.gz NUXUQRCULRFQBZ-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001485238591 991879407 /nfs/dbraw/zinc/87/94/07/991879407.db2.gz GYBANBWPBHOQEZ-DZVQBONVSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082774241 995470130 /nfs/dbraw/zinc/47/01/30/995470130.db2.gz JNCZALSIJNHRJP-VQIMIIECSA-N 2 1 365.481 2.515 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000824115063 996805387 /nfs/dbraw/zinc/80/53/87/996805387.db2.gz IGTJUKBUGGHJON-FQEVSTJZSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085217807 999185536 /nfs/dbraw/zinc/18/55/36/999185536.db2.gz RPEWDHVEDKAWLJ-NJYVYQBISA-N 2 1 368.525 2.950 20 30 FFEDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)CC1 ZINC000769536676 1000544797 /nfs/dbraw/zinc/54/47/97/1000544797.db2.gz CEQOPMBUFROVHX-LJQANCHMSA-N 2 1 370.541 2.968 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737759 1001183615 /nfs/dbraw/zinc/18/36/15/1001183615.db2.gz JDIVIPDJKWNYFO-KPFFTGBYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737759 1001183617 /nfs/dbraw/zinc/18/36/17/1001183617.db2.gz JDIVIPDJKWNYFO-KPFFTGBYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737759 1001183620 /nfs/dbraw/zinc/18/36/20/1001183620.db2.gz JDIVIPDJKWNYFO-KPFFTGBYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091737759 1001183624 /nfs/dbraw/zinc/18/36/24/1001183624.db2.gz JDIVIPDJKWNYFO-KPFFTGBYSA-N 2 1 365.949 2.926 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086882852 1001301279 /nfs/dbraw/zinc/30/12/79/1001301279.db2.gz PUKDEIWEGOTZTM-IOMROCGXSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809347 1001882363 /nfs/dbraw/zinc/88/23/63/1001882363.db2.gz COIJKRLMAGKLGM-LMMKCTJWSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809347 1001882377 /nfs/dbraw/zinc/88/23/77/1001882377.db2.gz COIJKRLMAGKLGM-LMMKCTJWSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809347 1001882390 /nfs/dbraw/zinc/88/23/90/1001882390.db2.gz COIJKRLMAGKLGM-LMMKCTJWSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809347 1001882404 /nfs/dbraw/zinc/88/24/04/1001882404.db2.gz COIJKRLMAGKLGM-LMMKCTJWSA-N 2 1 353.938 2.640 20 30 FFEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947590 1002146295 /nfs/dbraw/zinc/14/62/95/1002146295.db2.gz LCHFKJGBSHCEAA-UZKOGDIHSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947590 1002146304 /nfs/dbraw/zinc/14/63/04/1002146304.db2.gz LCHFKJGBSHCEAA-UZKOGDIHSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947590 1002146317 /nfs/dbraw/zinc/14/63/17/1002146317.db2.gz LCHFKJGBSHCEAA-UZKOGDIHSA-N 2 1 357.542 2.587 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607241 1002987061 /nfs/dbraw/zinc/98/70/61/1002987061.db2.gz RAVICOSUFAWQFZ-LEWJYISDSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086608855 1003167607 /nfs/dbraw/zinc/16/76/07/1003167607.db2.gz DFGLRVPUQXMIJR-SESVDKBCSA-N 2 1 364.493 2.524 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086608855 1003167614 /nfs/dbraw/zinc/16/76/14/1003167614.db2.gz DFGLRVPUQXMIJR-SESVDKBCSA-N 2 1 364.493 2.524 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001186196842 1003217617 /nfs/dbraw/zinc/21/76/17/1003217617.db2.gz VZPCSLIWUKDJQW-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1C ZINC001092688833 1003491619 /nfs/dbraw/zinc/49/16/19/1003491619.db2.gz CBGQPSNSLLYIMV-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@H]1C ZINC001092688833 1003491623 /nfs/dbraw/zinc/49/16/23/1003491623.db2.gz CBGQPSNSLLYIMV-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@H]1C ZINC001092688833 1003491625 /nfs/dbraw/zinc/49/16/25/1003491625.db2.gz CBGQPSNSLLYIMV-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(CC)cc2)C[C@H]1C ZINC001092688833 1003491629 /nfs/dbraw/zinc/49/16/29/1003491629.db2.gz CBGQPSNSLLYIMV-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC001186999388 1003527090 /nfs/dbraw/zinc/52/70/90/1003527090.db2.gz LTCKRHPVUHXIKZ-INIZCTEOSA-N 2 1 368.485 2.824 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC001186999388 1003527097 /nfs/dbraw/zinc/52/70/97/1003527097.db2.gz LTCKRHPVUHXIKZ-INIZCTEOSA-N 2 1 368.485 2.824 20 30 FFEDMP CCCCCCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001201825856 1005276552 /nfs/dbraw/zinc/27/65/52/1005276552.db2.gz GDTJPEFTSKQIED-UHFFFAOYSA-N 2 1 359.562 2.990 20 30 FFEDMP CCCCCCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001201825856 1005276557 /nfs/dbraw/zinc/27/65/57/1005276557.db2.gz GDTJPEFTSKQIED-UHFFFAOYSA-N 2 1 359.562 2.990 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001488918857 1005380451 /nfs/dbraw/zinc/38/04/51/1005380451.db2.gz XYVFWPVTRIMHPB-TYPHKJRUSA-N 2 1 371.500 2.536 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357345 1005810937 /nfs/dbraw/zinc/81/09/37/1005810937.db2.gz GLVFXMMLECGERE-OAQYLSRUSA-N 2 1 350.462 2.555 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086711779 1005957917 /nfs/dbraw/zinc/95/79/17/1005957917.db2.gz AYYORSIMYFSUQZ-HBMCJLEFSA-N 2 1 368.525 2.807 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001086720601 1006265258 /nfs/dbraw/zinc/26/52/58/1006265258.db2.gz FMIKMDIVMJXGMZ-BDTNDASRSA-N 2 1 367.537 2.510 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001086720601 1006265266 /nfs/dbraw/zinc/26/52/66/1006265266.db2.gz FMIKMDIVMJXGMZ-BDTNDASRSA-N 2 1 367.537 2.510 20 30 FFEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001189109841 1006887927 /nfs/dbraw/zinc/88/79/27/1006887927.db2.gz GOOAZOMWKZAYDX-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001189109841 1006887939 /nfs/dbraw/zinc/88/79/39/1006887939.db2.gz GOOAZOMWKZAYDX-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771628 1007265895 /nfs/dbraw/zinc/26/58/95/1007265895.db2.gz PEGPEEUESZADLZ-VQTJNVASSA-N 2 1 365.562 2.624 20 30 FFEDMP C#C[C@H](CCC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820645805 1008361947 /nfs/dbraw/zinc/36/19/47/1008361947.db2.gz BCXKPEBUBPUJPX-LJQANCHMSA-N 2 1 362.562 2.626 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000104193897 1009936467 /nfs/dbraw/zinc/93/64/67/1009936467.db2.gz NHJNAXWRRQPMAS-KRWDZBQOSA-N 2 1 374.529 2.905 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001093223767 1010167131 /nfs/dbraw/zinc/16/71/31/1010167131.db2.gz GQSIANGERFHCRO-DENIHFKCSA-N 2 1 371.569 2.906 20 30 FFEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN(C3CC3)C(=O)C2)c1 ZINC001172004746 1011561819 /nfs/dbraw/zinc/56/18/19/1011561819.db2.gz LZYBMKDJXDRGHK-HMXCVIKNSA-N 2 1 366.509 2.784 20 30 FFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172251574 1011723262 /nfs/dbraw/zinc/72/32/62/1011723262.db2.gz GIPBYMMEIGGHGN-OAQYLSRUSA-N 2 1 363.546 2.520 20 30 FFEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172251574 1011723276 /nfs/dbraw/zinc/72/32/76/1011723276.db2.gz GIPBYMMEIGGHGN-OAQYLSRUSA-N 2 1 363.546 2.520 20 30 FFEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001172495510 1011852354 /nfs/dbraw/zinc/85/23/54/1011852354.db2.gz QSZDAUPCTIJTLY-LMCOJAPRSA-N 2 1 356.518 2.535 20 30 FFEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001172495510 1011852371 /nfs/dbraw/zinc/85/23/71/1011852371.db2.gz QSZDAUPCTIJTLY-LMCOJAPRSA-N 2 1 356.518 2.535 20 30 FFEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001172495510 1011852384 /nfs/dbraw/zinc/85/23/84/1011852384.db2.gz QSZDAUPCTIJTLY-LMCOJAPRSA-N 2 1 356.518 2.535 20 30 FFEDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990822 1012128828 /nfs/dbraw/zinc/12/88/28/1012128828.db2.gz RQIDRAJRXBYVMC-XDNAFOTISA-N 2 1 362.518 2.552 20 30 FFEDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990822 1012128836 /nfs/dbraw/zinc/12/88/36/1012128836.db2.gz RQIDRAJRXBYVMC-XDNAFOTISA-N 2 1 362.518 2.552 20 30 FFEDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990822 1012128847 /nfs/dbraw/zinc/12/88/47/1012128847.db2.gz RQIDRAJRXBYVMC-XDNAFOTISA-N 2 1 362.518 2.552 20 30 FFEDMP C=CCN(CC=C)CCN1CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173114038 1012262003 /nfs/dbraw/zinc/26/20/03/1012262003.db2.gz TZMPTIDKHDOOCT-UHFFFAOYSA-N 2 1 362.606 2.931 20 30 FFEDMP CCCCCCCCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000303899154 1012509076 /nfs/dbraw/zinc/50/90/76/1012509076.db2.gz WABCXVKHTWYKBZ-UHFFFAOYSA-N 2 1 360.550 2.598 20 30 FFEDMP C[N@@H+](C1CC1)C1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173434811 1012601159 /nfs/dbraw/zinc/60/11/59/1012601159.db2.gz QTLIZMBBRHAOSS-UHFFFAOYSA-N 2 1 366.509 2.721 20 30 FFEDMP C[N@H+](C1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173434811 1012601167 /nfs/dbraw/zinc/60/11/67/1012601167.db2.gz QTLIZMBBRHAOSS-UHFFFAOYSA-N 2 1 366.509 2.721 20 30 FFEDMP C[N@@H+](C1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173434811 1012601174 /nfs/dbraw/zinc/60/11/74/1012601174.db2.gz QTLIZMBBRHAOSS-UHFFFAOYSA-N 2 1 366.509 2.721 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1OC ZINC000304741011 1012861650 /nfs/dbraw/zinc/86/16/50/1012861650.db2.gz BZCIXVKSBVLEJO-INIZCTEOSA-N 2 1 370.497 2.629 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000304741011 1012861664 /nfs/dbraw/zinc/86/16/64/1012861664.db2.gz BZCIXVKSBVLEJO-INIZCTEOSA-N 2 1 370.497 2.629 20 30 FFEDMP C=C(C)C[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cccc2C1 ZINC001051289892 1017267893 /nfs/dbraw/zinc/26/78/93/1017267893.db2.gz OGBMMAAJSJCYEA-LEWJYISDSA-N 2 1 355.526 2.967 20 30 FFEDMP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cccc2C1 ZINC001051289892 1017267905 /nfs/dbraw/zinc/26/79/05/1017267905.db2.gz OGBMMAAJSJCYEA-LEWJYISDSA-N 2 1 355.526 2.967 20 30 FFEDMP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cccc2C1 ZINC001051289892 1017267911 /nfs/dbraw/zinc/26/79/11/1017267911.db2.gz OGBMMAAJSJCYEA-LEWJYISDSA-N 2 1 355.526 2.967 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001222044327 1032696913 /nfs/dbraw/zinc/69/69/13/1032696913.db2.gz XNUHGGOSYUMJFM-WOJBJXKFSA-N 2 1 359.558 2.691 20 30 FFEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000925003577 1017578743 /nfs/dbraw/zinc/57/87/43/1017578743.db2.gz WLICLZRRJWQHIP-LPHOPBHVSA-N 2 1 356.514 2.802 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000901212974 1018832469 /nfs/dbraw/zinc/83/24/69/1018832469.db2.gz GYNVSUVULQQRBI-LJQANCHMSA-N 2 1 359.514 2.713 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)C)CCO1)C2 ZINC001110942420 1018890161 /nfs/dbraw/zinc/89/01/61/1018890161.db2.gz LGPQWOBPNMKGLT-ZRNYENFQSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942420 1018890189 /nfs/dbraw/zinc/89/01/89/1018890189.db2.gz LGPQWOBPNMKGLT-ZRNYENFQSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942420 1018890208 /nfs/dbraw/zinc/89/02/08/1018890208.db2.gz LGPQWOBPNMKGLT-ZRNYENFQSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110942420 1018890229 /nfs/dbraw/zinc/89/02/29/1018890229.db2.gz LGPQWOBPNMKGLT-ZRNYENFQSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110942420 1018890251 /nfs/dbraw/zinc/89/02/51/1018890251.db2.gz LGPQWOBPNMKGLT-ZRNYENFQSA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860634 1032892022 /nfs/dbraw/zinc/89/20/22/1032892022.db2.gz FGZFHPPZOFFOKM-HSALFYBXSA-N 2 1 365.562 2.741 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860634 1032892044 /nfs/dbraw/zinc/89/20/44/1032892044.db2.gz FGZFHPPZOFFOKM-HSALFYBXSA-N 2 1 365.562 2.741 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860634 1032892060 /nfs/dbraw/zinc/89/20/60/1032892060.db2.gz FGZFHPPZOFFOKM-HSALFYBXSA-N 2 1 365.562 2.741 20 30 FFEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@]1(C)CCCCO1 ZINC000902795514 1020482788 /nfs/dbraw/zinc/48/27/88/1020482788.db2.gz DCKPWVBOTPFAJF-PZJWPPBQSA-N 2 1 365.562 2.813 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960194 1021482059 /nfs/dbraw/zinc/48/20/59/1021482059.db2.gz QYFQDDGEICGZTF-LNLFQRSKSA-N 2 1 351.922 2.584 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960194 1021482067 /nfs/dbraw/zinc/48/20/67/1021482067.db2.gz QYFQDDGEICGZTF-LNLFQRSKSA-N 2 1 351.922 2.584 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001099027231 1021624229 /nfs/dbraw/zinc/62/42/29/1021624229.db2.gz LFLQCFSMAKTPNI-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001099027231 1021624234 /nfs/dbraw/zinc/62/42/34/1021624234.db2.gz LFLQCFSMAKTPNI-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001099027231 1021624237 /nfs/dbraw/zinc/62/42/37/1021624237.db2.gz LFLQCFSMAKTPNI-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC000948386055 1023247708 /nfs/dbraw/zinc/24/77/08/1023247708.db2.gz SGYTYHGURPESPZ-CEMLEFRQSA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC000948386055 1023247715 /nfs/dbraw/zinc/24/77/15/1023247715.db2.gz SGYTYHGURPESPZ-CEMLEFRQSA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC000948386055 1023247723 /nfs/dbraw/zinc/24/77/23/1023247723.db2.gz SGYTYHGURPESPZ-CEMLEFRQSA-N 2 1 367.537 2.691 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@@H]21 ZINC001222715285 1033127298 /nfs/dbraw/zinc/12/72/98/1033127298.db2.gz IJZXTAHTTUIZNE-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C[C@@H]21 ZINC001222715285 1033127303 /nfs/dbraw/zinc/12/73/03/1033127303.db2.gz IJZXTAHTTUIZNE-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001222715285 1033127312 /nfs/dbraw/zinc/12/73/12/1033127312.db2.gz IJZXTAHTTUIZNE-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001222715285 1033127316 /nfs/dbraw/zinc/12/73/16/1033127316.db2.gz IJZXTAHTTUIZNE-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001222715285 1033127332 /nfs/dbraw/zinc/12/73/32/1033127332.db2.gz IJZXTAHTTUIZNE-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001222715285 1033127334 /nfs/dbraw/zinc/12/73/34/1033127334.db2.gz IJZXTAHTTUIZNE-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273813 1025679169 /nfs/dbraw/zinc/67/91/69/1025679169.db2.gz QWCLICVSSGMNQS-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273813 1025679173 /nfs/dbraw/zinc/67/91/73/1025679173.db2.gz QWCLICVSSGMNQS-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273813 1025679177 /nfs/dbraw/zinc/67/91/77/1025679177.db2.gz QWCLICVSSGMNQS-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCCCC=C)C[C@H]1C ZINC001103099506 1026961930 /nfs/dbraw/zinc/96/19/30/1026961930.db2.gz OFONHWSIBWBUME-NJYVYQBISA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCCCC=C)C[C@H]1C ZINC001103099506 1026961937 /nfs/dbraw/zinc/96/19/37/1026961937.db2.gz OFONHWSIBWBUME-NJYVYQBISA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCCCC=C)C[C@H]1C ZINC001103099506 1026961944 /nfs/dbraw/zinc/96/19/44/1026961944.db2.gz OFONHWSIBWBUME-NJYVYQBISA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCCCC=C)C[C@H]1C ZINC001103099506 1026961949 /nfs/dbraw/zinc/96/19/49/1026961949.db2.gz OFONHWSIBWBUME-NJYVYQBISA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001103099767 1026962732 /nfs/dbraw/zinc/96/27/32/1026962732.db2.gz YAKOOFWQBTYYEL-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001103099767 1026962739 /nfs/dbraw/zinc/96/27/39/1026962739.db2.gz YAKOOFWQBTYYEL-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001103099767 1026962746 /nfs/dbraw/zinc/96/27/46/1026962746.db2.gz YAKOOFWQBTYYEL-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001103099767 1026962748 /nfs/dbraw/zinc/96/27/48/1026962748.db2.gz YAKOOFWQBTYYEL-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000092665531 1027394491 /nfs/dbraw/zinc/39/44/91/1027394491.db2.gz TZITVMTZXUARQL-BGYRXZFFSA-N 2 1 355.526 2.689 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000092665531 1027394504 /nfs/dbraw/zinc/39/45/04/1027394504.db2.gz TZITVMTZXUARQL-BGYRXZFFSA-N 2 1 355.526 2.689 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC001160103113 1027591470 /nfs/dbraw/zinc/59/14/70/1027591470.db2.gz JSBMPZQTHOLSQA-NHCUHLMSSA-N 2 1 355.526 2.606 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CCC ZINC001160103113 1027591477 /nfs/dbraw/zinc/59/14/77/1027591477.db2.gz JSBMPZQTHOLSQA-NHCUHLMSSA-N 2 1 355.526 2.606 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CCC ZINC001160103113 1027591480 /nfs/dbraw/zinc/59/14/80/1027591480.db2.gz JSBMPZQTHOLSQA-NHCUHLMSSA-N 2 1 355.526 2.606 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535545 1027650030 /nfs/dbraw/zinc/65/00/30/1027650030.db2.gz OPQTZJWFGWTKIE-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535545 1027650039 /nfs/dbraw/zinc/65/00/39/1027650039.db2.gz OPQTZJWFGWTKIE-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632529 1027828174 /nfs/dbraw/zinc/82/81/74/1027828174.db2.gz KLGASVDDWRFARN-KNKQGSTJSA-N 2 1 355.526 2.561 20 30 FFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104195896 1028654338 /nfs/dbraw/zinc/65/43/38/1028654338.db2.gz AHVMPFUCHANACJ-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCCCC)C3)CC1 ZINC001112003974 1029852183 /nfs/dbraw/zinc/85/21/83/1029852183.db2.gz INOAAJCGQZRJAV-UNMCSNQZSA-N 2 1 359.558 2.883 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112396855 1030741885 /nfs/dbraw/zinc/74/18/85/1030741885.db2.gz HHROMVHGTWXIKO-WFXMLNOXSA-N 2 1 356.514 2.945 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205434393 1031741721 /nfs/dbraw/zinc/74/17/21/1031741721.db2.gz GRCBWJRGBDKEAO-LSTHTHJFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001205456151 1031759367 /nfs/dbraw/zinc/75/93/67/1031759367.db2.gz HWRBSJNGFAXECN-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000829779141 1033332379 /nfs/dbraw/zinc/33/23/79/1033332379.db2.gz OGYPNTDGRXAWAD-HXUWFJFHSA-N 2 1 353.510 2.634 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000829804735 1033346561 /nfs/dbraw/zinc/34/65/61/1033346561.db2.gz KZFDFOBGBYZWKA-ZVDOUQERSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000829804735 1033346574 /nfs/dbraw/zinc/34/65/74/1033346574.db2.gz KZFDFOBGBYZWKA-ZVDOUQERSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000829804735 1033346592 /nfs/dbraw/zinc/34/65/92/1033346592.db2.gz KZFDFOBGBYZWKA-ZVDOUQERSA-N 2 1 353.510 2.501 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665403 1033736711 /nfs/dbraw/zinc/73/67/11/1033736711.db2.gz JOHDWQCKGLBCST-KSZLIROESA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665403 1033736727 /nfs/dbraw/zinc/73/67/27/1033736727.db2.gz JOHDWQCKGLBCST-KSZLIROESA-N 2 1 364.534 2.528 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001138558983 1034412164 /nfs/dbraw/zinc/41/21/64/1034412164.db2.gz BRYSTDGLGVHNNM-UHFFFAOYSA-N 2 1 364.493 2.549 20 30 FFEDMP C[NH+](C)Cc1cc(O[C@H](CC#N)C[N+](C)(C)C)ccc1Br ZINC001228545251 1036170195 /nfs/dbraw/zinc/17/01/95/1036170195.db2.gz FGAMNSOVHZZRNT-OAHLLOKOSA-N 2 1 355.300 2.878 20 30 FFEDMP N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(F)c1 ZINC001236063195 1037910485 /nfs/dbraw/zinc/91/04/85/1037910485.db2.gz QYOQBLIYCZHBEJ-UHFFFAOYSA-N 2 1 350.441 2.665 20 30 FFEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001208107656 1038040998 /nfs/dbraw/zinc/04/09/98/1038040998.db2.gz XKAWQDNSICEWPU-QFIPXVFZSA-N 2 1 366.509 2.719 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957233 1038607028 /nfs/dbraw/zinc/60/70/28/1038607028.db2.gz FCFJJPGQAUWDSI-WOJBJXKFSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957233 1038607031 /nfs/dbraw/zinc/60/70/31/1038607031.db2.gz FCFJJPGQAUWDSI-WOJBJXKFSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957233 1038607037 /nfs/dbraw/zinc/60/70/37/1038607037.db2.gz FCFJJPGQAUWDSI-WOJBJXKFSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957233 1038607042 /nfs/dbraw/zinc/60/70/42/1038607042.db2.gz FCFJJPGQAUWDSI-WOJBJXKFSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957233 1038607045 /nfs/dbraw/zinc/60/70/45/1038607045.db2.gz FCFJJPGQAUWDSI-WOJBJXKFSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246035673 1039208088 /nfs/dbraw/zinc/20/80/88/1039208088.db2.gz OBHABGOHQCKKJN-ZVDOUQERSA-N 2 1 366.546 2.739 20 30 FFEDMP C=CCOC1CCC([NH2+][C@@H](CCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246400408 1039340381 /nfs/dbraw/zinc/34/03/81/1039340381.db2.gz FXCZFPRTXFODOM-MHJFOBGBSA-N 2 1 360.498 2.941 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CCC(F)(F)F)C[C@H]3CC2)cc1C#N ZINC001278459126 1039422203 /nfs/dbraw/zinc/42/22/03/1039422203.db2.gz UBZWSDPBVIKEMQ-IYBDPMFKSA-N 2 1 354.420 2.993 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CCC(F)(F)F)C[C@H]3CC2)cc1C#N ZINC001278459126 1039422209 /nfs/dbraw/zinc/42/22/09/1039422209.db2.gz UBZWSDPBVIKEMQ-IYBDPMFKSA-N 2 1 354.420 2.993 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CCC(F)(F)F)C[C@H]3CC2)cc1C#N ZINC001278459126 1039422218 /nfs/dbraw/zinc/42/22/18/1039422218.db2.gz UBZWSDPBVIKEMQ-IYBDPMFKSA-N 2 1 354.420 2.993 20 30 FFEDMP N#Cc1cc(F)cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247905960 1040036522 /nfs/dbraw/zinc/03/65/22/1040036522.db2.gz NATVENGLAPNAQH-CQSZACIVSA-N 2 1 355.417 2.679 20 30 FFEDMP N#Cc1cc(F)cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247905958 1040037056 /nfs/dbraw/zinc/03/70/56/1040037056.db2.gz NATVENGLAPNAQH-AWEZNQCLSA-N 2 1 355.417 2.679 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001248750218 1040393232 /nfs/dbraw/zinc/39/32/32/1040393232.db2.gz BMTPWOGZPASNDD-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001248750218 1040393249 /nfs/dbraw/zinc/39/32/49/1040393249.db2.gz BMTPWOGZPASNDD-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001248750218 1040393266 /nfs/dbraw/zinc/39/32/66/1040393266.db2.gz BMTPWOGZPASNDD-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001248750218 1040393272 /nfs/dbraw/zinc/39/32/72/1040393272.db2.gz BMTPWOGZPASNDD-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001248750218 1040393287 /nfs/dbraw/zinc/39/32/87/1040393287.db2.gz BMTPWOGZPASNDD-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655712 1040763351 /nfs/dbraw/zinc/76/33/51/1040763351.db2.gz ZCTYQNNSALQERK-WOJBJXKFSA-N 2 1 367.578 2.893 20 30 FFEDMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254659826 1040858222 /nfs/dbraw/zinc/85/82/22/1040858222.db2.gz SLERMMLWVHGXJH-IHPCNDPISA-N 2 1 354.498 2.829 20 30 FFEDMP C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255388976 1041313619 /nfs/dbraw/zinc/31/36/19/1041313619.db2.gz AWPQBDZBTYGRCI-NHCUHLMSSA-N 2 1 353.510 2.645 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001279869930 1043805982 /nfs/dbraw/zinc/80/59/82/1043805982.db2.gz RKQZUDSQZFFYJZ-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001279869930 1043806005 /nfs/dbraw/zinc/80/60/05/1043806005.db2.gz RKQZUDSQZFFYJZ-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001279869930 1043806024 /nfs/dbraw/zinc/80/60/24/1043806024.db2.gz RKQZUDSQZFFYJZ-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001279869930 1043806041 /nfs/dbraw/zinc/80/60/41/1043806041.db2.gz RKQZUDSQZFFYJZ-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001279869930 1043806064 /nfs/dbraw/zinc/80/60/64/1043806064.db2.gz RKQZUDSQZFFYJZ-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC001334080903 1049236570 /nfs/dbraw/zinc/23/65/70/1049236570.db2.gz CAPZPEQAUVGCAT-RXVVDRJESA-N 2 1 371.525 2.723 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001346526219 1053072228 /nfs/dbraw/zinc/07/22/28/1053072228.db2.gz GXBAURXWKMSDMH-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001500611599 1058530997 /nfs/dbraw/zinc/53/09/97/1058530997.db2.gz VZFXTEADFVSFPN-YESZJQIVSA-N 2 1 357.489 2.756 20 30 FFEDMP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001500611599 1058531016 /nfs/dbraw/zinc/53/10/16/1058531016.db2.gz VZFXTEADFVSFPN-YESZJQIVSA-N 2 1 357.489 2.756 20 30 FFEDMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001500611599 1058531038 /nfs/dbraw/zinc/53/10/38/1058531038.db2.gz VZFXTEADFVSFPN-YESZJQIVSA-N 2 1 357.489 2.756 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001495355760 1063483782 /nfs/dbraw/zinc/48/37/82/1063483782.db2.gz HMMIXGKIJSMULF-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001495529190 1063505365 /nfs/dbraw/zinc/50/53/65/1063505365.db2.gz IUNVKDXUBYPQFK-YADHBBJMSA-N 2 1 367.537 2.573 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)C(C)C ZINC001467660303 1063810307 /nfs/dbraw/zinc/81/03/07/1063810307.db2.gz MVPFEOWUOPGVOS-AZUAARDMSA-N 2 1 362.562 2.811 20 30 FFEDMP C=CC[C@]1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCC[NH2+]1 ZINC001574889223 1078090421 /nfs/dbraw/zinc/09/04/21/1078090421.db2.gz LXTQTDCVEWRIMA-JOCHJYFZSA-N 2 1 353.510 2.734 20 30 FFEDMP C=CCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001574915497 1078092498 /nfs/dbraw/zinc/09/24/98/1078092498.db2.gz GHADBIZAKRYZST-ROUUACIJSA-N 2 1 360.550 2.837 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(C#N)cc2)C2CCCC2)CC[N@H+]1C ZINC001569603612 1077154738 /nfs/dbraw/zinc/15/47/38/1077154738.db2.gz BQZVTSXJZBXCJI-MAODMQOUSA-N 2 1 368.525 2.663 20 30 FFEDMP CC(=O)c1ccc(C#N)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000273165163 252237331 /nfs/dbraw/zinc/23/73/31/252237331.db2.gz CNKCBBAYXYHCBK-UHFFFAOYSA-N 2 1 363.465 2.780 20 30 FFEDMP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000331494907 258188228 /nfs/dbraw/zinc/18/82/28/258188228.db2.gz AQHZXIBGADPUPO-KRWDZBQOSA-N 2 1 360.527 2.779 20 30 FFEDMP Cc1nsc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000367427305 512494546 /nfs/dbraw/zinc/49/45/46/512494546.db2.gz YBNFOGQTJLPNRL-UHFFFAOYSA-N 2 1 361.559 2.956 20 30 FFEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083170671 508238851 /nfs/dbraw/zinc/23/88/51/508238851.db2.gz QEPXKLKRKWDIKH-QGZVFWFLSA-N 2 1 360.527 2.777 20 30 FFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083170671 508238853 /nfs/dbraw/zinc/23/88/53/508238853.db2.gz QEPXKLKRKWDIKH-QGZVFWFLSA-N 2 1 360.527 2.777 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114789906 508347551 /nfs/dbraw/zinc/34/75/51/508347551.db2.gz MOCHECAHFSVMEP-NRFANRHFSA-N 2 1 370.541 2.991 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000106263875 508398632 /nfs/dbraw/zinc/39/86/32/508398632.db2.gz HULGESUUDRAKJG-SFHVURJKSA-N 2 1 350.551 2.981 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000132388330 509025564 /nfs/dbraw/zinc/02/55/64/509025564.db2.gz NJXFWQNKJFFMQI-SIKLNZKXSA-N 2 1 367.537 2.843 20 30 FFEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1(C#N)CCCCC1 ZINC000185703351 509313231 /nfs/dbraw/zinc/31/32/31/509313231.db2.gz FCCCRPBCLKAXPO-OKZBNKHCSA-N 2 1 360.546 2.960 20 30 FFEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1(C#N)CCCCC1 ZINC000185703351 509313237 /nfs/dbraw/zinc/31/32/37/509313237.db2.gz FCCCRPBCLKAXPO-OKZBNKHCSA-N 2 1 360.546 2.960 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244356 509401192 /nfs/dbraw/zinc/40/11/92/509401192.db2.gz AOGRQZQFRVDJTB-HXUWFJFHSA-N 2 1 359.489 2.947 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176244356 509401199 /nfs/dbraw/zinc/40/11/99/509401199.db2.gz AOGRQZQFRVDJTB-HXUWFJFHSA-N 2 1 359.489 2.947 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1OC ZINC000267461488 509496741 /nfs/dbraw/zinc/49/67/41/509496741.db2.gz VIEDHVJYCILFDV-OAHLLOKOSA-N 2 1 356.470 2.951 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000267461488 509496744 /nfs/dbraw/zinc/49/67/44/509496744.db2.gz VIEDHVJYCILFDV-OAHLLOKOSA-N 2 1 356.470 2.951 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000245936014 510218322 /nfs/dbraw/zinc/21/83/22/510218322.db2.gz VRWWAYJLSUHXTE-RBUKOAKNSA-N 2 1 359.901 2.547 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180994167 510226597 /nfs/dbraw/zinc/22/65/97/510226597.db2.gz HJPLTUQFBFSTLM-OAQYLSRUSA-N 2 1 350.462 2.555 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171715413 510328253 /nfs/dbraw/zinc/32/82/53/510328253.db2.gz XOJSLGNBEUQJRR-HXUWFJFHSA-N 2 1 356.514 2.601 20 30 FFEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000330183760 510932707 /nfs/dbraw/zinc/93/27/07/510932707.db2.gz ICRRDJVWNFLVIB-OAHLLOKOSA-N 2 1 364.453 2.868 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298968618 511468965 /nfs/dbraw/zinc/46/89/65/511468965.db2.gz PBTKFPNHMQQYDI-YXJHDRRASA-N 2 1 372.538 2.968 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298968618 511468968 /nfs/dbraw/zinc/46/89/68/511468968.db2.gz PBTKFPNHMQQYDI-YXJHDRRASA-N 2 1 372.538 2.968 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288626 511490757 /nfs/dbraw/zinc/49/07/57/511490757.db2.gz FIFHNLOJTMAQGC-AZUAARDMSA-N 2 1 370.541 2.847 20 30 FFEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292937539 511778000 /nfs/dbraw/zinc/77/80/00/511778000.db2.gz JPQOYKPRIVVPRR-LJQANCHMSA-N 2 1 360.889 2.958 20 30 FFEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370706065 513063532 /nfs/dbraw/zinc/06/35/32/513063532.db2.gz AEZSOAXYTIPGHT-DENIHFKCSA-N 2 1 355.526 2.547 20 30 FFEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370706065 513063536 /nfs/dbraw/zinc/06/35/36/513063536.db2.gz AEZSOAXYTIPGHT-DENIHFKCSA-N 2 1 355.526 2.547 20 30 FFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689988 513393649 /nfs/dbraw/zinc/39/36/49/513393649.db2.gz DOTCKGLEWLCYQQ-KRWDZBQOSA-N 2 1 356.514 2.988 20 30 FFEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000424166015 514404881 /nfs/dbraw/zinc/40/48/81/514404881.db2.gz FTVFSZAMRLYCKV-OKZBNKHCSA-N 2 1 364.440 2.626 20 30 FFEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000424166015 514404884 /nfs/dbraw/zinc/40/48/84/514404884.db2.gz FTVFSZAMRLYCKV-OKZBNKHCSA-N 2 1 364.440 2.626 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475453791 514670365 /nfs/dbraw/zinc/67/03/65/514670365.db2.gz ZLDYVHJCNSTELT-RTWAWAEBSA-N 2 1 370.541 2.948 20 30 FFEDMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000466713501 514739779 /nfs/dbraw/zinc/73/97/79/514739779.db2.gz OKEWMTFTKIKBBZ-KRWDZBQOSA-N 2 1 372.513 2.708 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029262 515945462 /nfs/dbraw/zinc/94/54/62/515945462.db2.gz QDXPZCKRVPSKQN-DYESRHJHSA-N 2 1 371.529 2.673 20 30 FFEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000528371078 516386757 /nfs/dbraw/zinc/38/67/57/516386757.db2.gz INRVWPBNPYWEBN-CTNGQTDRSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000528371078 516386766 /nfs/dbraw/zinc/38/67/66/516386766.db2.gz INRVWPBNPYWEBN-CTNGQTDRSA-N 2 1 371.525 2.886 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1)CC1CC1 ZINC000540050478 516418132 /nfs/dbraw/zinc/41/81/32/516418132.db2.gz SKLSHVMYWWLOQD-NRFANRHFSA-N 2 1 362.562 2.875 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000527236086 517583170 /nfs/dbraw/zinc/58/31/70/517583170.db2.gz IAQMEFJEPIWPPK-GOSISDBHSA-N 2 1 363.465 2.859 20 30 FFEDMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000516215116 517620746 /nfs/dbraw/zinc/62/07/46/517620746.db2.gz HDKRHEDJQSLBNE-RTBURBONSA-N 2 1 371.525 2.957 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000550198260 517922236 /nfs/dbraw/zinc/92/22/36/517922236.db2.gz ULWACOOOWSOCOO-UHFFFAOYSA-N 2 1 359.433 2.554 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000550198260 517922248 /nfs/dbraw/zinc/92/22/48/517922248.db2.gz ULWACOOOWSOCOO-UHFFFAOYSA-N 2 1 359.433 2.554 20 30 FFEDMP C=CCN(CC=C)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557529957 518059085 /nfs/dbraw/zinc/05/90/85/518059085.db2.gz NUMDCMDOHXOKSS-LEWJYISDSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000557529957 518059094 /nfs/dbraw/zinc/05/90/94/518059094.db2.gz NUMDCMDOHXOKSS-LEWJYISDSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000557529957 518059098 /nfs/dbraw/zinc/05/90/98/518059098.db2.gz NUMDCMDOHXOKSS-LEWJYISDSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557529957 518059104 /nfs/dbraw/zinc/05/91/04/518059104.db2.gz NUMDCMDOHXOKSS-LEWJYISDSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557529957 518059110 /nfs/dbraw/zinc/05/91/10/518059110.db2.gz NUMDCMDOHXOKSS-LEWJYISDSA-N 2 1 353.510 2.641 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4c3cccc4C#N)CC2)CC1 ZINC000581676712 518403193 /nfs/dbraw/zinc/40/31/93/518403193.db2.gz FMMGRLOKAVRGOP-UHFFFAOYSA-N 2 1 366.509 2.644 20 30 FFEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000583018823 519036882 /nfs/dbraw/zinc/03/68/82/519036882.db2.gz XUEDYWBXGMUCAJ-NSISKUIASA-N 2 1 354.498 2.560 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000602877761 519943573 /nfs/dbraw/zinc/94/35/73/519943573.db2.gz PJJGHUTWVXJWTL-UHFFFAOYSA-N 2 1 368.525 2.968 20 30 FFEDMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)CC1 ZINC000603072204 520063450 /nfs/dbraw/zinc/06/34/50/520063450.db2.gz MVCMTQZZPWTLLD-UHFFFAOYSA-N 2 1 373.476 2.721 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600716378 520416481 /nfs/dbraw/zinc/41/64/81/520416481.db2.gz KUBCSLCVOVZOQO-NSHGMRRFSA-N 2 1 359.514 2.646 20 30 FFEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595504202 520514621 /nfs/dbraw/zinc/51/46/21/520514621.db2.gz GBQRUBHNGXLSGB-IBGZPJMESA-N 2 1 360.889 2.958 20 30 FFEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595504202 520514629 /nfs/dbraw/zinc/51/46/29/520514629.db2.gz GBQRUBHNGXLSGB-IBGZPJMESA-N 2 1 360.889 2.958 20 30 FFEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595504202 520514635 /nfs/dbraw/zinc/51/46/35/520514635.db2.gz GBQRUBHNGXLSGB-IBGZPJMESA-N 2 1 360.889 2.958 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000614178413 520838870 /nfs/dbraw/zinc/83/88/70/520838870.db2.gz AOCIEMOXONBSAT-WIYYLYMNSA-N 2 1 354.542 2.946 20 30 FFEDMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000596090395 520905803 /nfs/dbraw/zinc/90/58/03/520905803.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000596090395 520905810 /nfs/dbraw/zinc/90/58/10/520905810.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000596090395 520905816 /nfs/dbraw/zinc/90/58/16/520905816.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 2 1 366.513 2.559 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)cc(C#N)c3)CC2)CC1 ZINC000601711897 520916505 /nfs/dbraw/zinc/91/65/05/520916505.db2.gz RSNXQBZUZZFFDZ-UHFFFAOYSA-N 2 1 358.461 2.832 20 30 FFEDMP C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302696 521138816 /nfs/dbraw/zinc/13/88/16/521138816.db2.gz JCZOHTIORUUIGO-NHCUHLMSSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302696 521138826 /nfs/dbraw/zinc/13/88/26/521138826.db2.gz JCZOHTIORUUIGO-NHCUHLMSSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302696 521138831 /nfs/dbraw/zinc/13/88/31/521138831.db2.gz JCZOHTIORUUIGO-NHCUHLMSSA-N 2 1 371.525 2.512 20 30 FFEDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000593724252 521177006 /nfs/dbraw/zinc/17/70/06/521177006.db2.gz BMUXBGPAEMBBPP-FSSWDIPSSA-N 3 1 352.526 2.985 20 30 FFEDMP CN1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000593724252 521177013 /nfs/dbraw/zinc/17/70/13/521177013.db2.gz BMUXBGPAEMBBPP-FSSWDIPSSA-N 3 1 352.526 2.985 20 30 FFEDMP N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000611587609 521239516 /nfs/dbraw/zinc/23/95/16/521239516.db2.gz FZQIAWYECKXGHU-CEMLEFRQSA-N 2 1 352.526 2.865 20 30 FFEDMP C=CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1OC ZINC000623373287 521970772 /nfs/dbraw/zinc/97/07/72/521970772.db2.gz ZQCOTRZCVFVQOX-UHFFFAOYSA-N 2 1 368.905 2.850 20 30 FFEDMP Cc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(C#N)c(C)c1Cl ZINC001164685238 719605476 /nfs/dbraw/zinc/60/54/76/719605476.db2.gz UDATWRZWCIZBSE-UHFFFAOYSA-N 2 1 372.904 2.895 20 30 FFEDMP Cc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(C#N)c(C)c1Cl ZINC001164685238 719605481 /nfs/dbraw/zinc/60/54/81/719605481.db2.gz UDATWRZWCIZBSE-UHFFFAOYSA-N 2 1 372.904 2.895 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000041651869 727945243 /nfs/dbraw/zinc/94/52/43/727945243.db2.gz NVJPUUWTXIFGOE-AWEZNQCLSA-N 2 1 351.288 2.893 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000041651869 727945246 /nfs/dbraw/zinc/94/52/46/727945246.db2.gz NVJPUUWTXIFGOE-AWEZNQCLSA-N 2 1 351.288 2.893 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000041651862 727945297 /nfs/dbraw/zinc/94/52/97/727945297.db2.gz NVJPUUWTXIFGOE-CQSZACIVSA-N 2 1 351.288 2.893 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000041651862 727945300 /nfs/dbraw/zinc/94/53/00/727945300.db2.gz NVJPUUWTXIFGOE-CQSZACIVSA-N 2 1 351.288 2.893 20 30 FFEDMP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000085509094 728429658 /nfs/dbraw/zinc/42/96/58/728429658.db2.gz JMLWZIJMMOONLB-HNNXBMFYSA-N 2 1 359.905 2.766 20 30 FFEDMP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000085509094 728429660 /nfs/dbraw/zinc/42/96/60/728429660.db2.gz JMLWZIJMMOONLB-HNNXBMFYSA-N 2 1 359.905 2.766 20 30 FFEDMP C[NH+]=C(NCC(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000261959728 729655616 /nfs/dbraw/zinc/65/56/16/729655616.db2.gz JUMPFWXDXUCGSG-IAGOWNOFSA-N 2 1 350.457 2.813 20 30 FFEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)c2cccs2)CC1 ZINC000262505417 729667443 /nfs/dbraw/zinc/66/74/43/729667443.db2.gz ZSTLTZQGFJKQKN-HZPDHXFCSA-N 2 1 350.532 2.557 20 30 FFEDMP CCOc1c(Cl)cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1OC ZINC000303895960 729735390 /nfs/dbraw/zinc/73/53/90/729735390.db2.gz UCBWRRTYNFJONE-CQSZACIVSA-N 2 1 368.909 2.636 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C(C)C ZINC000662682300 732346098 /nfs/dbraw/zinc/34/60/98/732346098.db2.gz QQUDBKRXSPFCRT-ZWKOTPCHSA-N 2 1 351.441 2.779 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000900657837 735675393 /nfs/dbraw/zinc/67/53/93/735675393.db2.gz BMZAWZKVLYXZSS-UHFFFAOYSA-N 2 1 364.559 2.542 20 30 FFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552349 740545493 /nfs/dbraw/zinc/54/54/93/740545493.db2.gz LGHMJHGMRJYKJI-IAGOWNOFSA-N 2 1 353.938 2.784 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000852855325 749965906 /nfs/dbraw/zinc/96/59/06/749965906.db2.gz IIKJXRQMNZQAEC-LJQANCHMSA-N 2 1 359.901 2.596 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104846044 970993886 /nfs/dbraw/zinc/99/38/86/970993886.db2.gz GOHDBMHUAIDVJH-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104846201 970995751 /nfs/dbraw/zinc/99/57/51/970995751.db2.gz MTHGQOPDMPCREI-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001104932690 971176829 /nfs/dbraw/zinc/17/68/29/971176829.db2.gz HQEVWXPUIFHLMJ-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657985 971862331 /nfs/dbraw/zinc/86/23/31/971862331.db2.gz XDKHAMXPCMPGOW-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[N@H+](C)C1 ZINC000328934159 965068669 /nfs/dbraw/zinc/06/86/69/965068669.db2.gz FECKRQZOCLKTAP-SZMVWBNQSA-N 2 1 373.497 2.650 20 30 FFEDMP CO[C@H]1C[C@@H](C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[N@@H+](C)C1 ZINC000328934159 965068679 /nfs/dbraw/zinc/06/86/79/965068679.db2.gz FECKRQZOCLKTAP-SZMVWBNQSA-N 2 1 373.497 2.650 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087469077 965287810 /nfs/dbraw/zinc/28/78/10/965287810.db2.gz INLBOYOZNZNRDD-WOJBJXKFSA-N 2 1 371.500 2.772 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029100481 965763217 /nfs/dbraw/zinc/76/32/17/965763217.db2.gz AAQYIAVYHZDNBT-CBGDNZLLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(C)C)C1 ZINC001211618326 968064733 /nfs/dbraw/zinc/06/47/33/968064733.db2.gz OYKQYMPQCRLKKA-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(C)C)C1 ZINC001211618326 968064742 /nfs/dbraw/zinc/06/47/42/968064742.db2.gz OYKQYMPQCRLKKA-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087570025 968193739 /nfs/dbraw/zinc/19/37/39/968193739.db2.gz XSBLEKWILINNJT-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087570025 968193747 /nfs/dbraw/zinc/19/37/47/968193747.db2.gz XSBLEKWILINNJT-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087570025 968193752 /nfs/dbraw/zinc/19/37/52/968193752.db2.gz XSBLEKWILINNJT-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087684658 968598079 /nfs/dbraw/zinc/59/80/79/968598079.db2.gz GXBXZOOXGOFESY-VQTJNVASSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001087684658 968598083 /nfs/dbraw/zinc/59/80/83/968598083.db2.gz GXBXZOOXGOFESY-VQTJNVASSA-N 2 1 368.525 2.902 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212803 973682884 /nfs/dbraw/zinc/68/28/84/973682884.db2.gz RAIZRHWENQZMTB-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212803 973682889 /nfs/dbraw/zinc/68/28/89/973682889.db2.gz RAIZRHWENQZMTB-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000985485356 974199571 /nfs/dbraw/zinc/19/95/71/974199571.db2.gz QRWVUUSZADVQNL-IAGOWNOFSA-N 2 1 369.494 2.569 20 30 FFEDMP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000985485356 974199578 /nfs/dbraw/zinc/19/95/78/974199578.db2.gz QRWVUUSZADVQNL-IAGOWNOFSA-N 2 1 369.494 2.569 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088811351 976655866 /nfs/dbraw/zinc/65/58/66/976655866.db2.gz XYXOKEGCUFHBDV-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088811351 976655873 /nfs/dbraw/zinc/65/58/73/976655873.db2.gz XYXOKEGCUFHBDV-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088811351 976655880 /nfs/dbraw/zinc/65/58/80/976655880.db2.gz XYXOKEGCUFHBDV-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000876735379 1014369958 /nfs/dbraw/zinc/36/99/58/1014369958.db2.gz DZKCJPVMOIAASE-OAQYLSRUSA-N 2 1 362.477 2.513 20 30 FFEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006360 977104141 /nfs/dbraw/zinc/10/41/41/977104141.db2.gz FEKFJZGXHBOZGE-RTWAWAEBSA-N 2 1 355.526 2.832 20 30 FFEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006360 977104142 /nfs/dbraw/zinc/10/41/42/977104142.db2.gz FEKFJZGXHBOZGE-RTWAWAEBSA-N 2 1 355.526 2.832 20 30 FFEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006360 977104144 /nfs/dbraw/zinc/10/41/44/977104144.db2.gz FEKFJZGXHBOZGE-RTWAWAEBSA-N 2 1 355.526 2.832 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087458024 977917521 /nfs/dbraw/zinc/91/75/21/977917521.db2.gz FIJYPUDQZKFLOB-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087458024 977917526 /nfs/dbraw/zinc/91/75/26/977917526.db2.gz FIJYPUDQZKFLOB-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087458024 977917529 /nfs/dbraw/zinc/91/75/29/977917529.db2.gz FIJYPUDQZKFLOB-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H]1C ZINC001088621520 981962583 /nfs/dbraw/zinc/96/25/83/981962583.db2.gz HLKSRNDPXCINFY-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621520 981962591 /nfs/dbraw/zinc/96/25/91/981962591.db2.gz HLKSRNDPXCINFY-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621520 981962593 /nfs/dbraw/zinc/96/25/93/981962593.db2.gz HLKSRNDPXCINFY-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621520 981962596 /nfs/dbraw/zinc/96/25/96/981962596.db2.gz HLKSRNDPXCINFY-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621520 981962599 /nfs/dbraw/zinc/96/25/99/981962599.db2.gz HLKSRNDPXCINFY-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424268 984525240 /nfs/dbraw/zinc/52/52/40/984525240.db2.gz FCLDOQLGGIECEH-QWFCFKBJSA-N 2 1 353.526 2.993 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)cc1 ZINC001107633456 984908733 /nfs/dbraw/zinc/90/87/33/984908733.db2.gz TYYGCLGUSGHHIM-IFMALSPDSA-N 2 1 366.509 2.515 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@@H]1CCc2ccccc21 ZINC000174054053 986073751 /nfs/dbraw/zinc/07/37/51/986073751.db2.gz ZNORHWPVXYJGIX-IBGZPJMESA-N 2 1 374.492 2.971 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106340421 987983985 /nfs/dbraw/zinc/98/39/85/987983985.db2.gz XGOOMEOPPIJZAD-HUUCEWRRSA-N 2 1 362.543 2.534 20 30 FFEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C2 ZINC000922389279 988538471 /nfs/dbraw/zinc/53/84/71/988538471.db2.gz SMIQZSBMABRPMY-YSFYHYPLSA-N 2 1 371.525 2.938 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)[C@H]1C(C)C ZINC000922392744 988553045 /nfs/dbraw/zinc/55/30/45/988553045.db2.gz GZOCAPDOKZFDII-VBVPVEISSA-N 2 1 371.525 2.937 20 30 FFEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684813 988630875 /nfs/dbraw/zinc/63/08/75/988630875.db2.gz NQAHNIPOWAPKSL-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001033837987 989751728 /nfs/dbraw/zinc/75/17/28/989751728.db2.gz LQOQQHXYXOLAGF-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001033837987 989751731 /nfs/dbraw/zinc/75/17/31/989751731.db2.gz LQOQQHXYXOLAGF-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001033837987 989751734 /nfs/dbraw/zinc/75/17/34/989751734.db2.gz LQOQQHXYXOLAGF-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001033837987 989751739 /nfs/dbraw/zinc/75/17/39/989751739.db2.gz LQOQQHXYXOLAGF-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3)C[C@H]2C)CC1 ZINC001080992348 993543020 /nfs/dbraw/zinc/54/30/20/993543020.db2.gz GHOYTJWOQMXRCA-LLGFUMIMSA-N 2 1 371.500 2.668 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2C)CC1 ZINC001080997438 993547794 /nfs/dbraw/zinc/54/77/94/993547794.db2.gz DCBBCCQPCWWARG-DENIHFKCSA-N 2 1 367.537 2.585 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001131595382 994443213 /nfs/dbraw/zinc/44/32/13/994443213.db2.gz WJIVJQOVMFZOBN-CTNGQTDRSA-N 2 1 365.562 2.670 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000730105770 996853993 /nfs/dbraw/zinc/85/39/93/996853993.db2.gz PEICCIYPXBLCIM-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000730105770 996854000 /nfs/dbraw/zinc/85/40/00/996854000.db2.gz PEICCIYPXBLCIM-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000730105770 996854011 /nfs/dbraw/zinc/85/40/11/996854011.db2.gz PEICCIYPXBLCIM-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000730105770 996854024 /nfs/dbraw/zinc/85/40/24/996854024.db2.gz PEICCIYPXBLCIM-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107877 996858240 /nfs/dbraw/zinc/85/82/40/996858240.db2.gz YJXPLNZVCHJCNE-YRPNKDGESA-N 2 1 365.562 2.647 20 30 FFEDMP N#CC1(CCCC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC1 ZINC000903769602 1016184999 /nfs/dbraw/zinc/18/49/99/1016184999.db2.gz KCQPXFLIHYWBIH-SFHVURJKSA-N 2 1 370.545 2.863 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941238 998247419 /nfs/dbraw/zinc/24/74/19/998247419.db2.gz WXVHMEHYYJEIAJ-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941238 998247432 /nfs/dbraw/zinc/24/74/32/998247432.db2.gz WXVHMEHYYJEIAJ-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941238 998247441 /nfs/dbraw/zinc/24/74/41/998247441.db2.gz WXVHMEHYYJEIAJ-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCCCCC3)[C@H]2C1 ZINC001084961264 998386705 /nfs/dbraw/zinc/38/67/05/998386705.db2.gz WXSDVEAMABYSEL-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCCCCC3)[C@H]2C1 ZINC001084961264 998386710 /nfs/dbraw/zinc/38/67/10/998386710.db2.gz WXSDVEAMABYSEL-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCCCC3)[C@H]2C1 ZINC001084961264 998386718 /nfs/dbraw/zinc/38/67/18/998386718.db2.gz WXSDVEAMABYSEL-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCCC3)[C@H]2C1 ZINC001084961264 998386722 /nfs/dbraw/zinc/38/67/22/998386722.db2.gz WXSDVEAMABYSEL-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673070 1001035066 /nfs/dbraw/zinc/03/50/66/1001035066.db2.gz XUIQUWBZJGUJIC-KNKQGSTJSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673070 1001035073 /nfs/dbraw/zinc/03/50/73/1001035073.db2.gz XUIQUWBZJGUJIC-KNKQGSTJSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673070 1001035077 /nfs/dbraw/zinc/03/50/77/1001035077.db2.gz XUIQUWBZJGUJIC-KNKQGSTJSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957635 1002167287 /nfs/dbraw/zinc/16/72/87/1002167287.db2.gz QWFOQYFHFFMPOD-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091957635 1002167305 /nfs/dbraw/zinc/16/73/05/1002167305.db2.gz QWFOQYFHFFMPOD-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599411 1002719459 /nfs/dbraw/zinc/71/94/59/1002719459.db2.gz NGUWSGNKARCJSE-LEWJYISDSA-N 2 1 358.445 2.555 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001086621896 1003606293 /nfs/dbraw/zinc/60/62/93/1003606293.db2.gz UUEZDBYZZYSCJQ-VWPQPMDRSA-N 2 1 353.510 2.633 20 30 FFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001086621896 1003606297 /nfs/dbraw/zinc/60/62/97/1003606297.db2.gz UUEZDBYZZYSCJQ-VWPQPMDRSA-N 2 1 353.510 2.633 20 30 FFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001086621896 1003606301 /nfs/dbraw/zinc/60/63/01/1003606301.db2.gz UUEZDBYZZYSCJQ-VWPQPMDRSA-N 2 1 353.510 2.633 20 30 FFEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742289 1004720533 /nfs/dbraw/zinc/72/05/33/1004720533.db2.gz OOBLDBKIXPVVRZ-ZHALLVOQSA-N 2 1 359.514 2.749 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357708 1005811045 /nfs/dbraw/zinc/81/10/45/1005811045.db2.gz SLDBPSQKZHRIOW-DYESRHJHSA-N 2 1 365.477 2.834 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001097975906 1017028402 /nfs/dbraw/zinc/02/84/02/1017028402.db2.gz JDXLRRRNMKUGPG-NJYVYQBISA-N 2 1 366.509 2.512 20 30 FFEDMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852872472 1006214678 /nfs/dbraw/zinc/21/46/78/1006214678.db2.gz NUEVAOLEHGLJHH-UHFFFAOYSA-N 2 1 355.526 2.928 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652701 1006741019 /nfs/dbraw/zinc/74/10/19/1006741019.db2.gz NVGHDKFEGYPDQM-MSOLQXFVSA-N 2 1 367.493 2.529 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652701 1006741029 /nfs/dbraw/zinc/74/10/29/1006741029.db2.gz NVGHDKFEGYPDQM-MSOLQXFVSA-N 2 1 367.493 2.529 20 30 FFEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)[NH+](CC)CC ZINC001189110525 1006889736 /nfs/dbraw/zinc/88/97/36/1006889736.db2.gz RAAKJYLOCULIER-PWRODBHTSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)C1 ZINC000884186290 1007298618 /nfs/dbraw/zinc/29/86/18/1007298618.db2.gz WNGXBYSORCFTIB-ZZWYGFAKSA-N 2 1 366.509 2.996 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(COCC(F)(F)F)c1 ZINC000136894209 1008555498 /nfs/dbraw/zinc/55/54/98/1008555498.db2.gz WNLUJJDIPMUBOK-INIZCTEOSA-N 2 1 372.435 2.654 20 30 FFEDMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)[nH+]c1C ZINC000886661159 1008799931 /nfs/dbraw/zinc/79/99/31/1008799931.db2.gz OAXRBVQVNNTORV-LJQANCHMSA-N 2 1 368.481 2.712 20 30 FFEDMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)[nH+]c1C ZINC000886661158 1008800593 /nfs/dbraw/zinc/80/05/93/1008800593.db2.gz OAXRBVQVNNTORV-IBGZPJMESA-N 2 1 368.481 2.712 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CC1 ZINC000773981582 1010405117 /nfs/dbraw/zinc/40/51/17/1010405117.db2.gz HHDSIQDONFOOSL-UHFFFAOYSA-N 2 1 361.574 2.938 20 30 FFEDMP Cc1cc(N2CCC([NH2+]Cc3cc(C#N)ccc3N(C)C)CC2)nc(C)[nH+]1 ZINC000865485097 1010796427 /nfs/dbraw/zinc/79/64/27/1010796427.db2.gz LOASQISFGSKBDQ-UHFFFAOYSA-N 2 1 364.497 2.790 20 30 FFEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927972 1011122591 /nfs/dbraw/zinc/12/25/91/1011122591.db2.gz STULCVQXPYALPE-BUVFEPMLSA-N 2 1 374.488 2.697 20 30 FFEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927972 1011122598 /nfs/dbraw/zinc/12/25/98/1011122598.db2.gz STULCVQXPYALPE-BUVFEPMLSA-N 2 1 374.488 2.697 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094581799 1011265190 /nfs/dbraw/zinc/26/51/90/1011265190.db2.gz FZFJQIKXTKVUSN-IFMALSPDSA-N 2 1 353.510 2.746 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000303789894 1012432348 /nfs/dbraw/zinc/43/23/48/1012432348.db2.gz VUGBWQHGHGYFOT-IBGZPJMESA-N 2 1 362.518 2.553 20 30 FFEDMP COc1cccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000303887979 1012501650 /nfs/dbraw/zinc/50/16/50/1012501650.db2.gz OQEKLDBJUCISHZ-MRXNPFEDSA-N 2 1 368.481 2.843 20 30 FFEDMP COc1cccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000303887979 1012501661 /nfs/dbraw/zinc/50/16/61/1012501661.db2.gz OQEKLDBJUCISHZ-MRXNPFEDSA-N 2 1 368.481 2.843 20 30 FFEDMP CC1(C)[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925701928 1017821398 /nfs/dbraw/zinc/82/13/98/1017821398.db2.gz IIHRNOGFEYHDEX-QHAWAJNXSA-N 2 1 352.526 2.889 20 30 FFEDMP C=CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758087 1032820420 /nfs/dbraw/zinc/82/04/20/1032820420.db2.gz UPRMAJANCYQYKK-UNMCSNQZSA-N 2 1 353.510 2.585 20 30 FFEDMP C=CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758087 1032820440 /nfs/dbraw/zinc/82/04/40/1032820440.db2.gz UPRMAJANCYQYKK-UNMCSNQZSA-N 2 1 353.510 2.585 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001045441171 1019968168 /nfs/dbraw/zinc/96/81/68/1019968168.db2.gz WGHLWDQIBOJCGX-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000931432486 1020461857 /nfs/dbraw/zinc/46/18/57/1020461857.db2.gz SEADDYNGEVFYAB-CABCVRRESA-N 2 1 372.538 2.711 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(C#N)ccn1 ZINC000902948728 1020593110 /nfs/dbraw/zinc/59/31/10/1020593110.db2.gz WFZRDHLZOXMJIP-OXQOHEQNSA-N 2 1 350.466 2.761 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(C#N)ccn1 ZINC000902948728 1020593115 /nfs/dbraw/zinc/59/31/15/1020593115.db2.gz WFZRDHLZOXMJIP-OXQOHEQNSA-N 2 1 350.466 2.761 20 30 FFEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001098461789 1020929163 /nfs/dbraw/zinc/92/91/63/1020929163.db2.gz PIEMXMGGRCWDPC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001098461789 1020929170 /nfs/dbraw/zinc/92/91/70/1020929170.db2.gz PIEMXMGGRCWDPC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001098461789 1020929178 /nfs/dbraw/zinc/92/91/78/1020929178.db2.gz PIEMXMGGRCWDPC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001098461789 1020929182 /nfs/dbraw/zinc/92/91/82/1020929182.db2.gz PIEMXMGGRCWDPC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2=CCCCC2)CC1 ZINC001098462598 1020930046 /nfs/dbraw/zinc/93/00/46/1020930046.db2.gz CHMNKZVSBWWRLN-NJYVYQBISA-N 2 1 355.526 2.554 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935052 1021437151 /nfs/dbraw/zinc/43/71/51/1021437151.db2.gz BKGNKZMEPHCAIJ-UWJYYQICSA-N 2 1 365.481 2.818 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C(F)(F)F ZINC001099317699 1022285573 /nfs/dbraw/zinc/28/55/73/1022285573.db2.gz LSNHRQUPFAHKER-ZIAGYGMSSA-N 2 1 358.408 2.562 20 30 FFEDMP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)n1 ZINC001118872577 1022452400 /nfs/dbraw/zinc/45/24/00/1022452400.db2.gz CFTZIXKIVDDSMT-RBUKOAKNSA-N 2 1 366.465 2.578 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001099448096 1022542953 /nfs/dbraw/zinc/54/29/53/1022542953.db2.gz DDPOTCGGGYFDJS-JTAQYXEDSA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001099448096 1022542960 /nfs/dbraw/zinc/54/29/60/1022542960.db2.gz DDPOTCGGGYFDJS-JTAQYXEDSA-N 2 1 371.569 2.739 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271531 1027138336 /nfs/dbraw/zinc/13/83/36/1027138336.db2.gz SNUCUFOSUFVSSY-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001103437292 1027481788 /nfs/dbraw/zinc/48/17/88/1027481788.db2.gz SAWYXQRRQXMZNC-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001103437292 1027481798 /nfs/dbraw/zinc/48/17/98/1027481798.db2.gz SAWYXQRRQXMZNC-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483651 1027581760 /nfs/dbraw/zinc/58/17/60/1027581760.db2.gz KMWNKXRLOACGQO-GDBMZVCRSA-N 2 1 352.910 2.833 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483651 1027581775 /nfs/dbraw/zinc/58/17/75/1027581775.db2.gz KMWNKXRLOACGQO-GDBMZVCRSA-N 2 1 352.910 2.833 20 30 FFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566526 1027755901 /nfs/dbraw/zinc/75/59/01/1027755901.db2.gz RNNQQQYZASVPGN-IBGZPJMESA-N 2 1 369.513 2.671 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648131 1027873727 /nfs/dbraw/zinc/87/37/27/1027873727.db2.gz VZMXPFDXRYFXIB-UKRRQHHQSA-N 2 1 350.894 2.588 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001103751845 1028138867 /nfs/dbraw/zinc/13/88/67/1028138867.db2.gz UYFZFMFGVNVEDE-DENIHFKCSA-N 2 1 367.537 2.606 20 30 FFEDMP N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001155357161 1028693498 /nfs/dbraw/zinc/69/34/98/1028693498.db2.gz CJSDKUIPXHITJD-HXUWFJFHSA-N 2 1 361.493 2.867 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001111853125 1029621753 /nfs/dbraw/zinc/62/17/53/1029621753.db2.gz IOAJPJZYKURGIX-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001111853125 1029621760 /nfs/dbraw/zinc/62/17/60/1029621760.db2.gz IOAJPJZYKURGIX-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112114511 1030040006 /nfs/dbraw/zinc/04/00/06/1030040006.db2.gz ULCQUVYIIJCWRZ-BZUAXINKSA-N 2 1 361.452 2.804 20 30 FFEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728036 1030101492 /nfs/dbraw/zinc/10/14/92/1030101492.db2.gz MJXVCFDJGZDGGT-QZTJIDSGSA-N 2 1 353.551 2.552 20 30 FFEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728036 1030101503 /nfs/dbraw/zinc/10/15/03/1030101503.db2.gz MJXVCFDJGZDGGT-QZTJIDSGSA-N 2 1 353.551 2.552 20 30 FFEDMP c1ccc([C@@H]2CC(=NNCCC[NH+]3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000841636115 1030381000 /nfs/dbraw/zinc/38/10/00/1030381000.db2.gz GPAJDEFWHALWLL-NRFANRHFSA-N 2 1 356.514 2.654 20 30 FFEDMP c1ccc([C@@H]2CC(=NNCCC[NH+]3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000841636115 1030381016 /nfs/dbraw/zinc/38/10/16/1030381016.db2.gz GPAJDEFWHALWLL-NRFANRHFSA-N 2 1 356.514 2.654 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407974 1031719913 /nfs/dbraw/zinc/71/99/13/1031719913.db2.gz NPHMTIKWAHCJFY-HBMCJLEFSA-N 2 1 371.500 2.606 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CCCCC2)CC[N@H+]1C ZINC001115543706 1031819141 /nfs/dbraw/zinc/81/91/41/1031819141.db2.gz WVBIIRNCCDWEOY-YLJYHZDGSA-N 2 1 368.525 2.807 20 30 FFEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771596 1034639651 /nfs/dbraw/zinc/63/96/51/1034639651.db2.gz WEPZWELGDVTKIK-FCHUYYIVSA-N 2 1 374.525 2.953 20 30 FFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771598 1034640061 /nfs/dbraw/zinc/64/00/61/1034640061.db2.gz WEPZWELGDVTKIK-VXKWHMMOSA-N 2 1 374.525 2.953 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138773794 1034641824 /nfs/dbraw/zinc/64/18/24/1034641824.db2.gz NZXLEZBRRBFGKF-SFHVURJKSA-N 2 1 361.486 2.504 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693196 1034989457 /nfs/dbraw/zinc/98/94/57/1034989457.db2.gz GQYASDITLRZUNE-MBOZVWFJSA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001221693196 1034989465 /nfs/dbraw/zinc/98/94/65/1034989465.db2.gz GQYASDITLRZUNE-MBOZVWFJSA-N 2 1 356.514 2.649 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712323 1035004029 /nfs/dbraw/zinc/00/40/29/1035004029.db2.gz UNPLMUOBOBYQNB-SJLPKXTDSA-N 2 1 353.938 2.926 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229134935 1036515119 /nfs/dbraw/zinc/51/51/19/1036515119.db2.gz HZDXWFFMZMNEAF-VAMGGRTRSA-N 2 1 365.562 2.861 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001229502850 1036708821 /nfs/dbraw/zinc/70/88/21/1036708821.db2.gz AJJSHXBWBZSQBN-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215368 1037153988 /nfs/dbraw/zinc/15/39/88/1037153988.db2.gz OBYNJYOHUBJSDI-GUDVDZBRSA-N 2 1 353.551 2.695 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215368 1037153994 /nfs/dbraw/zinc/15/39/94/1037153994.db2.gz OBYNJYOHUBJSDI-GUDVDZBRSA-N 2 1 353.551 2.695 20 30 FFEDMP C=CCN1C(=O)CC[C@]12CCCN(C[C@H]([NH3+])Cc1ccccc1)[C@H]2CC ZINC001235487458 1037580355 /nfs/dbraw/zinc/58/03/55/1037580355.db2.gz FNOZEYVMXHECOY-URVUXULASA-N 2 1 355.526 2.978 20 30 FFEDMP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](CCCCCC[NH3+])C3)C2)c1 ZINC001235633694 1037653816 /nfs/dbraw/zinc/65/38/16/1037653816.db2.gz AFXDSNZJYRTSSZ-JOCHJYFZSA-N 2 1 370.541 2.996 20 30 FFEDMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236081163 1037922596 /nfs/dbraw/zinc/92/25/96/1037922596.db2.gz ZCTLNYJBMCCOOH-DEOSSOPVSA-N 2 1 359.517 2.941 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)C1=O ZINC001256859550 1038637610 /nfs/dbraw/zinc/63/76/10/1038637610.db2.gz OIUOIFPPCRJZRD-NRFANRHFSA-N 2 1 354.498 2.551 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256898727 1038649655 /nfs/dbraw/zinc/64/96/55/1038649655.db2.gz OTAHUQVJWGMEAN-RBUKOAKNSA-N 2 1 355.526 2.888 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256898727 1038649658 /nfs/dbraw/zinc/64/96/58/1038649658.db2.gz OTAHUQVJWGMEAN-RBUKOAKNSA-N 2 1 355.526 2.888 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256898728 1038649749 /nfs/dbraw/zinc/64/97/49/1038649749.db2.gz OTAHUQVJWGMEAN-RTBURBONSA-N 2 1 355.526 2.888 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256898728 1038649750 /nfs/dbraw/zinc/64/97/50/1038649750.db2.gz OTAHUQVJWGMEAN-RTBURBONSA-N 2 1 355.526 2.888 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209725617 1039160003 /nfs/dbraw/zinc/16/00/03/1039160003.db2.gz QXUKKWOQIWWSCL-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252595029 1039604440 /nfs/dbraw/zinc/60/44/40/1039604440.db2.gz CBUSGTPUOLMTJM-FKBYEOEOSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252595029 1039604444 /nfs/dbraw/zinc/60/44/44/1039604444.db2.gz CBUSGTPUOLMTJM-FKBYEOEOSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252595029 1039604458 /nfs/dbraw/zinc/60/44/58/1039604458.db2.gz CBUSGTPUOLMTJM-FKBYEOEOSA-N 2 1 362.558 2.774 20 30 FFEDMP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ncco4)CC3)C2)cc1C#N ZINC001279348925 1043018786 /nfs/dbraw/zinc/01/87/86/1043018786.db2.gz FXFFLSBQRGBDFR-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ncco4)CC3)C2)cc1C#N ZINC001279348925 1043018788 /nfs/dbraw/zinc/01/87/88/1043018788.db2.gz FXFFLSBQRGBDFR-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)sn1 ZINC001279481566 1043166494 /nfs/dbraw/zinc/16/64/94/1043166494.db2.gz PVCXVEIHHRXCPI-UHFFFAOYSA-N 2 1 355.511 2.760 20 30 FFEDMP N#Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccn1 ZINC001237464497 1043181845 /nfs/dbraw/zinc/18/18/45/1043181845.db2.gz PDVVCQMNSFTKEQ-UHFFFAOYSA-N 2 1 368.506 2.882 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCOC2)CC3)cc1C#N ZINC001279617534 1043347630 /nfs/dbraw/zinc/34/76/30/1043347630.db2.gz CHBDVTPYPXKCHO-GOSISDBHSA-N 2 1 356.514 2.611 20 30 FFEDMP C=CC[C@@]1(C(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)CCC[NH2+]1 ZINC001340998629 1051334309 /nfs/dbraw/zinc/33/43/09/1051334309.db2.gz CIEAODWUWCEEQG-FQEVSTJZSA-N 2 1 353.470 2.667 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001342918064 1051527424 /nfs/dbraw/zinc/52/74/24/1051527424.db2.gz GJANEAGUHSUZQN-GOSISDBHSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342918064 1051527429 /nfs/dbraw/zinc/52/74/29/1051527429.db2.gz GJANEAGUHSUZQN-GOSISDBHSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001342918064 1051527433 /nfs/dbraw/zinc/52/74/33/1051527433.db2.gz GJANEAGUHSUZQN-GOSISDBHSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001543672643 1071521373 /nfs/dbraw/zinc/52/13/73/1071521373.db2.gz XPEHOGPNOSXJEI-KRWDZBQOSA-N 2 1 369.431 2.904 20 30 FFEDMP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001500611598 1058531719 /nfs/dbraw/zinc/53/17/19/1058531719.db2.gz VZFXTEADFVSFPN-IXDOHACOSA-N 2 1 357.489 2.756 20 30 FFEDMP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001500611598 1058531730 /nfs/dbraw/zinc/53/17/30/1058531730.db2.gz VZFXTEADFVSFPN-IXDOHACOSA-N 2 1 357.489 2.756 20 30 FFEDMP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001500611598 1058531750 /nfs/dbraw/zinc/53/17/50/1058531750.db2.gz VZFXTEADFVSFPN-IXDOHACOSA-N 2 1 357.489 2.756 20 30 FFEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001493835519 1063232372 /nfs/dbraw/zinc/23/23/72/1063232372.db2.gz CGUDWOFNMNNTQN-WMQCIHAUSA-N 2 1 355.526 2.735 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001495355768 1063483037 /nfs/dbraw/zinc/48/30/37/1063483037.db2.gz HMMIXGKIJSMULF-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035941 1078735991 /nfs/dbraw/zinc/73/59/91/1078735991.db2.gz JQYDFDWVCUPCIV-VQTJNVASSA-N 2 1 350.466 2.961 20 30 FFEDMP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035941 1078735996 /nfs/dbraw/zinc/73/59/96/1078735996.db2.gz JQYDFDWVCUPCIV-VQTJNVASSA-N 2 1 350.466 2.961 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(OC)c1O ZINC001560328033 1076264360 /nfs/dbraw/zinc/26/43/60/1076264360.db2.gz CWFFLDZWVDPCCC-IBGZPJMESA-N 2 1 360.498 2.862 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccn4ccnc4c3)CC2)cc1 ZINC000290313630 257325221 /nfs/dbraw/zinc/32/52/21/257325221.db2.gz CLPOHWIMJRUKTG-UHFFFAOYSA-N 2 1 374.448 2.946 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccn4ccnc4c3)CC2)cc1 ZINC000290313630 257325222 /nfs/dbraw/zinc/32/52/22/257325222.db2.gz CLPOHWIMJRUKTG-UHFFFAOYSA-N 2 1 374.448 2.946 20 30 FFEDMP C=CCc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000377620506 512357080 /nfs/dbraw/zinc/35/70/80/512357080.db2.gz DTSLHNWDKNLXLZ-FQEVSTJZSA-N 2 1 373.541 2.730 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074130137 507990267 /nfs/dbraw/zinc/99/02/67/507990267.db2.gz MSDWJQRFEWVDRO-NRFANRHFSA-N 2 1 370.541 2.943 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000080428632 508071978 /nfs/dbraw/zinc/07/19/78/508071978.db2.gz QZOKJFHTGVFGET-MRXNPFEDSA-N 2 1 350.466 2.703 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSc1ccc(C#N)cc1 ZINC000103080083 508295488 /nfs/dbraw/zinc/29/54/88/508295488.db2.gz XDTGLOVWUYJPSK-GOSISDBHSA-N 2 1 374.554 2.525 20 30 FFEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC[NH+](C)C1 ZINC000118842440 508682955 /nfs/dbraw/zinc/68/29/55/508682955.db2.gz NNTJVGXWHXTZCF-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000118842440 508682956 /nfs/dbraw/zinc/68/29/56/508682956.db2.gz NNTJVGXWHXTZCF-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842440 508682959 /nfs/dbraw/zinc/68/29/59/508682959.db2.gz NNTJVGXWHXTZCF-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP C=CCOc1ccccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154316213 508759347 /nfs/dbraw/zinc/75/93/47/508759347.db2.gz VLIOHERMOKUZPN-DFNIBXOVSA-N 2 1 369.509 2.634 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000264123043 509341083 /nfs/dbraw/zinc/34/10/83/509341083.db2.gz RNUXAVSZZQTNIU-MRXNPFEDSA-N 2 1 372.469 2.538 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000183149416 509627823 /nfs/dbraw/zinc/62/78/23/509627823.db2.gz LSJJKSROVIIDLY-JLTOFOAXSA-N 2 1 351.454 2.640 20 30 FFEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000249744060 509751286 /nfs/dbraw/zinc/75/12/86/509751286.db2.gz BAHJLUZPNQEKMA-DLBZAZTESA-N 2 1 372.513 2.551 20 30 FFEDMP N#Cc1csc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177698367 510204344 /nfs/dbraw/zinc/20/43/44/510204344.db2.gz DVFKXHIGIHGUSG-SFHVURJKSA-N 2 1 368.506 2.607 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184746580 510496559 /nfs/dbraw/zinc/49/65/59/510496559.db2.gz ZXTZTCHKVUIABH-FHWLQOOXSA-N 2 1 370.541 2.741 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247000587 510792421 /nfs/dbraw/zinc/79/24/21/510792421.db2.gz WVNVVMOKYPJTLV-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247000587 510792430 /nfs/dbraw/zinc/79/24/30/510792430.db2.gz WVNVVMOKYPJTLV-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247000587 510792438 /nfs/dbraw/zinc/79/24/38/510792438.db2.gz WVNVVMOKYPJTLV-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247000587 510792444 /nfs/dbraw/zinc/79/24/44/510792444.db2.gz WVNVVMOKYPJTLV-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000270963484 511039694 /nfs/dbraw/zinc/03/96/94/511039694.db2.gz ANGLZLDJYQELRB-LJQANCHMSA-N 2 1 373.497 2.690 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000270963484 511039699 /nfs/dbraw/zinc/03/96/99/511039699.db2.gz ANGLZLDJYQELRB-LJQANCHMSA-N 2 1 373.497 2.690 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000332562746 511085053 /nfs/dbraw/zinc/08/50/53/511085053.db2.gz XPGCZNLTKGWVIO-UHFFFAOYSA-N 2 1 368.525 2.519 20 30 FFEDMP C[N@H+]1CCC[C@H]2CN(Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487141 511100531 /nfs/dbraw/zinc/10/05/31/511100531.db2.gz XQHHSFVTSNQDMX-ICSRJNTNSA-N 2 1 364.497 2.775 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292879511 511755903 /nfs/dbraw/zinc/75/59/03/511755903.db2.gz DWKYJUMBIVYGCB-WIYYLYMNSA-N 2 1 354.498 2.739 20 30 FFEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292879508 511756125 /nfs/dbraw/zinc/75/61/25/511756125.db2.gz DWKYJUMBIVYGCB-RXVVDRJESA-N 2 1 354.498 2.739 20 30 FFEDMP O=C(C[NH+]1CCC(Oc2ccccn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000328620538 511895380 /nfs/dbraw/zinc/89/53/80/511895380.db2.gz WYXFHDGXKARQGN-UHFFFAOYSA-N 2 1 358.486 2.508 20 30 FFEDMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424137661 514395720 /nfs/dbraw/zinc/39/57/20/514395720.db2.gz SJOQFEVEFHYFGG-RBUKOAKNSA-N 2 1 356.514 2.597 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424172634 514406674 /nfs/dbraw/zinc/40/66/74/514406674.db2.gz NLPABJAYASMPLQ-KBRIMQKVSA-N 2 1 366.868 2.609 20 30 FFEDMP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481048591 515186157 /nfs/dbraw/zinc/18/61/57/515186157.db2.gz CXSHGCPCMLGNTB-QGZVFWFLSA-N 2 1 372.513 2.604 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000499631268 515393299 /nfs/dbraw/zinc/39/32/99/515393299.db2.gz BBSQRROYLCRFCI-RTBURBONSA-N 2 1 351.535 2.814 20 30 FFEDMP C=C(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000481611110 515402892 /nfs/dbraw/zinc/40/28/92/515402892.db2.gz CSMGPMWWOZOOHD-FQEVSTJZSA-N 2 1 363.452 2.915 20 30 FFEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000528371083 516387011 /nfs/dbraw/zinc/38/70/11/516387011.db2.gz INRVWPBNPYWEBN-TZIWHRDSSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000528371083 516387018 /nfs/dbraw/zinc/38/70/18/516387018.db2.gz INRVWPBNPYWEBN-TZIWHRDSSA-N 2 1 371.525 2.886 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000548282224 516872470 /nfs/dbraw/zinc/87/24/70/516872470.db2.gz MARCZRYDYYPOBT-UHFFFAOYSA-N 2 1 355.829 2.611 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000539631986 518125619 /nfs/dbraw/zinc/12/56/19/518125619.db2.gz BROBQXDUECLFTQ-UHFFFAOYSA-N 2 1 361.449 2.641 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000574317422 519097782 /nfs/dbraw/zinc/09/77/82/519097782.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317422 519097790 /nfs/dbraw/zinc/09/77/90/519097790.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317422 519097796 /nfs/dbraw/zinc/09/77/96/519097796.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 2 1 360.542 2.772 20 30 FFEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566241578 519387294 /nfs/dbraw/zinc/38/72/94/519387294.db2.gz FPGXPODCHXAYNL-APWZRJJASA-N 2 1 360.465 2.601 20 30 FFEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566241578 519387302 /nfs/dbraw/zinc/38/73/02/519387302.db2.gz FPGXPODCHXAYNL-APWZRJJASA-N 2 1 360.465 2.601 20 30 FFEDMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439863 519966590 /nfs/dbraw/zinc/96/65/90/519966590.db2.gz VOGUGJDTVZBEOB-PMACEKPBSA-N 2 1 356.514 2.768 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000594441525 519967079 /nfs/dbraw/zinc/96/70/79/519967079.db2.gz SJCINPACNHNRBF-OAQYLSRUSA-N 2 1 364.493 2.895 20 30 FFEDMP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]2C2CC2)c1 ZINC000594444824 519971311 /nfs/dbraw/zinc/97/13/11/519971311.db2.gz CYINDBBCVOBPEH-XUVXKRRUSA-N 2 1 370.497 2.500 20 30 FFEDMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]2C2CC2)c1 ZINC000594444818 519971454 /nfs/dbraw/zinc/97/14/54/519971454.db2.gz CYINDBBCVOBPEH-HSALFYBXSA-N 2 1 370.497 2.500 20 30 FFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000608864915 520149004 /nfs/dbraw/zinc/14/90/04/520149004.db2.gz WVIIDOBWJAEQLW-HDICACEKSA-N 2 1 357.498 2.758 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000609029852 520181124 /nfs/dbraw/zinc/18/11/24/520181124.db2.gz SOXJWDGZSIQHSK-NRFANRHFSA-N 2 1 367.493 2.882 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000600720643 520422807 /nfs/dbraw/zinc/42/28/07/520422807.db2.gz IMHQGCRMFOZJST-NHCUHLMSSA-N 2 1 371.525 2.560 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000592507301 520427257 /nfs/dbraw/zinc/42/72/57/520427257.db2.gz RYRBFKZSEQCQJX-YLJYHZDGSA-N 2 1 356.514 2.772 20 30 FFEDMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593407282 520971924 /nfs/dbraw/zinc/97/19/24/520971924.db2.gz KXQALCQGAZMNSV-KRWDZBQOSA-N 2 1 371.529 2.551 20 30 FFEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602014873 521079001 /nfs/dbraw/zinc/07/90/01/521079001.db2.gz ILOHLZWXONLGDK-IBGZPJMESA-N 2 1 353.441 2.944 20 30 FFEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000602014873 521079008 /nfs/dbraw/zinc/07/90/08/521079008.db2.gz ILOHLZWXONLGDK-IBGZPJMESA-N 2 1 353.441 2.944 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599293895 521132501 /nfs/dbraw/zinc/13/25/01/521132501.db2.gz APWMWCBJNWWKAT-VAMGGRTRSA-N 2 1 363.546 2.644 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594260913 521516011 /nfs/dbraw/zinc/51/60/11/521516011.db2.gz PNFXCZHGZZZZBK-RXVVDRJESA-N 2 1 370.541 2.611 20 30 FFEDMP CC(C)[N@H+](C)Cc1nn(-c2nccc3ccc(C#N)cc32)c2c1CC[NH2+]C2 ZINC001164685761 719616840 /nfs/dbraw/zinc/61/68/40/719616840.db2.gz VWAYYLYRAJSLJJ-UHFFFAOYSA-N 2 1 360.465 2.778 20 30 FFEDMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3ccc(C#N)cc32)c2c1CC[NH2+]C2 ZINC001164685761 719616852 /nfs/dbraw/zinc/61/68/52/719616852.db2.gz VWAYYLYRAJSLJJ-UHFFFAOYSA-N 2 1 360.465 2.778 20 30 FFEDMP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1ccccc1Cl ZINC000304672550 729736673 /nfs/dbraw/zinc/73/66/73/729736673.db2.gz CIRJXJISJVRJLJ-LSDHHAIUSA-N 2 1 352.910 2.886 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000876890489 732292265 /nfs/dbraw/zinc/29/22/65/732292265.db2.gz AJKOIYSZUHVYFJ-KSZLIROESA-N 2 1 363.889 2.559 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=NNCCC[NH+]2CCOCC2)C1 ZINC000799488476 740422653 /nfs/dbraw/zinc/42/26/53/740422653.db2.gz SCTQSSUUFAARFV-WSTZPKSXSA-N 2 1 350.551 2.575 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNCCC[NH+]2CCOCC2)C1 ZINC000799488476 740422659 /nfs/dbraw/zinc/42/26/59/740422659.db2.gz SCTQSSUUFAARFV-WSTZPKSXSA-N 2 1 350.551 2.575 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282791 741202492 /nfs/dbraw/zinc/20/24/92/741202492.db2.gz HVNXKLFAMGHCCV-OGWHTMIXSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282791 741202493 /nfs/dbraw/zinc/20/24/93/741202493.db2.gz HVNXKLFAMGHCCV-OGWHTMIXSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282791 741202496 /nfs/dbraw/zinc/20/24/96/741202496.db2.gz HVNXKLFAMGHCCV-OGWHTMIXSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982282791 741202499 /nfs/dbraw/zinc/20/24/99/741202499.db2.gz HVNXKLFAMGHCCV-OGWHTMIXSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000259820 742082858 /nfs/dbraw/zinc/08/28/58/742082858.db2.gz CYUYJZYJFSHOKC-QRVBRYPASA-N 2 1 361.917 2.665 20 30 FFEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001275834162 1013055787 /nfs/dbraw/zinc/05/57/87/1013055787.db2.gz XVGMHQYBHSCNOW-OAQYLSRUSA-N 2 1 360.546 2.727 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657986 971862725 /nfs/dbraw/zinc/86/27/25/971862725.db2.gz XDKHAMXPCMPGOW-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275879907 1013129582 /nfs/dbraw/zinc/12/95/82/1013129582.db2.gz RLCFVKHASKXYOI-QFIPXVFZSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000660597007 972298883 /nfs/dbraw/zinc/29/88/83/972298883.db2.gz LJKHMFFCAZNYSU-FQEVSTJZSA-N 2 1 356.514 2.601 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077351 972488949 /nfs/dbraw/zinc/48/89/49/972488949.db2.gz UYMFAHZCRSUQAQ-SQNIBIBYSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077351 972488955 /nfs/dbraw/zinc/48/89/55/972488955.db2.gz UYMFAHZCRSUQAQ-SQNIBIBYSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077351 972488964 /nfs/dbraw/zinc/48/89/64/972488964.db2.gz UYMFAHZCRSUQAQ-SQNIBIBYSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077351 972488969 /nfs/dbraw/zinc/48/89/69/972488969.db2.gz UYMFAHZCRSUQAQ-SQNIBIBYSA-N 2 1 353.938 2.641 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276053830 1013375031 /nfs/dbraw/zinc/37/50/31/1013375031.db2.gz PVYKSRIZRJDOJE-NRFANRHFSA-N 2 1 350.466 2.934 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276053830 1013375036 /nfs/dbraw/zinc/37/50/36/1013375036.db2.gz PVYKSRIZRJDOJE-NRFANRHFSA-N 2 1 350.466 2.934 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087175604 965103120 /nfs/dbraw/zinc/10/31/20/965103120.db2.gz WQRXOCRQAZALAI-UTKZUKDTSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424753 966777882 /nfs/dbraw/zinc/77/78/82/966777882.db2.gz WWAVMASAEFTIKP-QZTJIDSGSA-N 2 1 358.530 2.802 20 30 FFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000329496544 967750422 /nfs/dbraw/zinc/75/04/22/967750422.db2.gz GAPWOHLQEFPSFK-KRWDZBQOSA-N 2 1 360.502 2.746 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087640367 968476741 /nfs/dbraw/zinc/47/67/41/968476741.db2.gz ZIAGLMYUOFJSMK-VQTJNVASSA-N 2 1 366.509 2.656 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001104676731 970085838 /nfs/dbraw/zinc/08/58/38/970085838.db2.gz VYAVWTYXIOPOBS-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H](C)COC ZINC000661242992 973974781 /nfs/dbraw/zinc/97/47/81/973974781.db2.gz HXKIDZBROXHZCI-HXUWFJFHSA-N 2 1 373.541 2.552 20 30 FFEDMP C=CC[C@]1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662789129 974077111 /nfs/dbraw/zinc/07/71/11/974077111.db2.gz SUGLSFNTJRLGGR-JOCHJYFZSA-N 2 1 355.526 2.852 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001027418682 974403697 /nfs/dbraw/zinc/40/36/97/974403697.db2.gz HOAOUOCWKHCIFJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001027418682 974403702 /nfs/dbraw/zinc/40/37/02/974403702.db2.gz HOAOUOCWKHCIFJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001027418682 974403708 /nfs/dbraw/zinc/40/37/08/974403708.db2.gz HOAOUOCWKHCIFJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001027418682 974403714 /nfs/dbraw/zinc/40/37/14/974403714.db2.gz HOAOUOCWKHCIFJ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088770499 976073387 /nfs/dbraw/zinc/07/33/87/976073387.db2.gz QXCQCHJQQYECOX-CZAAIQMYSA-N 2 1 366.509 2.512 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087433857 976370436 /nfs/dbraw/zinc/37/04/36/976370436.db2.gz JRLVKAXAFIPXLC-NHCUHLMSSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087433857 976370447 /nfs/dbraw/zinc/37/04/47/976370447.db2.gz JRLVKAXAFIPXLC-NHCUHLMSSA-N 2 1 367.537 2.858 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2ccccc2C#N)CC3)CC[N@H+]1C ZINC000990758701 976916116 /nfs/dbraw/zinc/91/61/16/976916116.db2.gz AZCKUPFPIWKKRP-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758701 976916126 /nfs/dbraw/zinc/91/61/26/976916126.db2.gz AZCKUPFPIWKKRP-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758701 976916138 /nfs/dbraw/zinc/91/61/38/976916138.db2.gz AZCKUPFPIWKKRP-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000876834773 1014403454 /nfs/dbraw/zinc/40/34/54/1014403454.db2.gz UABSBLLWIYDESL-KRWDZBQOSA-N 2 1 374.366 2.861 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087460137 978002193 /nfs/dbraw/zinc/00/21/93/978002193.db2.gz RDOFFLRXMCEFPR-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087460137 978002201 /nfs/dbraw/zinc/00/22/01/978002201.db2.gz RDOFFLRXMCEFPR-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP COCC[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC1CC[NH+](C)CC1 ZINC000877664994 1014665617 /nfs/dbraw/zinc/66/56/17/1014665617.db2.gz BFMIYAAEYKLARU-UHFFFAOYSA-N 2 1 358.530 2.827 20 30 FFEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000877972968 1014792438 /nfs/dbraw/zinc/79/24/38/1014792438.db2.gz QUIXWYVDGHTKPY-SFTDATJTSA-N 2 1 357.498 2.780 20 30 FFEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000997597565 985583330 /nfs/dbraw/zinc/58/33/30/985583330.db2.gz YABMOPGJZHHULW-CSODHUTKSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]([NH+](C)Cc1cc(C#N)cc(C[N@H+](C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000878668003 1015160556 /nfs/dbraw/zinc/16/05/56/1015160556.db2.gz HVSKCTPQSOEDNZ-IYBDPMFKSA-N 2 1 361.530 2.741 20 30 FFEDMP C[C@@H]([N@@H+](C)Cc1cc(C#N)cc(C[NH+](C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000878668003 1015160564 /nfs/dbraw/zinc/16/05/64/1015160564.db2.gz HVSKCTPQSOEDNZ-IYBDPMFKSA-N 2 1 361.530 2.741 20 30 FFEDMP C[C@@H]([N@H+](C)Cc1cc(C#N)cc(C[NH+](C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000878668003 1015160570 /nfs/dbraw/zinc/16/05/70/1015160570.db2.gz HVSKCTPQSOEDNZ-IYBDPMFKSA-N 2 1 361.530 2.741 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401520 986118346 /nfs/dbraw/zinc/11/83/46/986118346.db2.gz SZUUYEBIDAVXLI-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001106672052 988619646 /nfs/dbraw/zinc/61/96/46/988619646.db2.gz BUGQSWGRGVXLBY-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000763334302 989694565 /nfs/dbraw/zinc/69/45/65/989694565.db2.gz JUALWAMPKRBQGZ-UTKZUKDTSA-N 2 1 373.541 2.587 20 30 FFEDMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569370 1015590284 /nfs/dbraw/zinc/59/02/84/1015590284.db2.gz OBFFKPJPECFWSQ-YOEHRIQHSA-N 2 1 372.538 2.853 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1c1ccccc1 ZINC001081190908 993748377 /nfs/dbraw/zinc/74/83/77/993748377.db2.gz XXVMLWQTGFFTHL-VQTJNVASSA-N 2 1 364.493 2.614 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082558198 994930377 /nfs/dbraw/zinc/93/03/77/994930377.db2.gz DVXOYBKOAOGFAK-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812914401 995570289 /nfs/dbraw/zinc/57/02/89/995570289.db2.gz NICLSMXVCXJNAK-OAQYLSRUSA-N 2 1 374.504 2.661 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072674 998854084 /nfs/dbraw/zinc/85/40/84/998854084.db2.gz OFRYIPJOLXKMCJ-CBQOVEMMSA-N 2 1 355.526 2.962 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072674 998854086 /nfs/dbraw/zinc/85/40/86/998854086.db2.gz OFRYIPJOLXKMCJ-CBQOVEMMSA-N 2 1 355.526 2.962 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085313422 999342970 /nfs/dbraw/zinc/34/29/70/999342970.db2.gz XFLKAJLUKUSXCT-DJIMGWMZSA-N 2 1 350.894 2.523 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085333345 999380596 /nfs/dbraw/zinc/38/05/96/999380596.db2.gz LYTVNPTVNVSRAP-WOJBJXKFSA-N 2 1 368.525 2.807 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001112562160 1001481275 /nfs/dbraw/zinc/48/12/75/1001481275.db2.gz KFNATWIEJFCIBU-XJUOHMSHSA-N 2 1 367.537 2.921 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095498777 1016510177 /nfs/dbraw/zinc/51/01/77/1016510177.db2.gz DQLAMBIHWDYTFO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095498777 1016510190 /nfs/dbraw/zinc/51/01/90/1016510190.db2.gz DQLAMBIHWDYTFO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001095498777 1016510205 /nfs/dbraw/zinc/51/02/05/1016510205.db2.gz DQLAMBIHWDYTFO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001095498777 1016510223 /nfs/dbraw/zinc/51/02/23/1016510223.db2.gz DQLAMBIHWDYTFO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001182701218 1002017598 /nfs/dbraw/zinc/01/75/98/1002017598.db2.gz LVHFRSXPMRENKX-RPUPUWCGSA-N 2 1 355.526 2.592 20 30 FFEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947589 1002146921 /nfs/dbraw/zinc/14/69/21/1002146921.db2.gz LCHFKJGBSHCEAA-CBQOVEMMSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947589 1002146925 /nfs/dbraw/zinc/14/69/25/1002146925.db2.gz LCHFKJGBSHCEAA-CBQOVEMMSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947589 1002146929 /nfs/dbraw/zinc/14/69/29/1002146929.db2.gz LCHFKJGBSHCEAA-CBQOVEMMSA-N 2 1 357.542 2.587 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092136447 1002458843 /nfs/dbraw/zinc/45/88/43/1002458843.db2.gz VVFUROIJUMKRGH-NQIIRXRSSA-N 2 1 365.481 2.627 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092136447 1002458848 /nfs/dbraw/zinc/45/88/48/1002458848.db2.gz VVFUROIJUMKRGH-NQIIRXRSSA-N 2 1 365.481 2.627 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC4=CCCCC4)C[C@@]3(C)C2)CC1 ZINC001092299702 1002625832 /nfs/dbraw/zinc/62/58/32/1002625832.db2.gz FQQOFKXOZFJKCQ-GGAORHGYSA-N 2 1 369.553 2.612 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605878 1002927072 /nfs/dbraw/zinc/92/70/72/1002927072.db2.gz ZZLGZWZDTQCNIG-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001086605878 1002927083 /nfs/dbraw/zinc/92/70/83/1002927083.db2.gz ZZLGZWZDTQCNIG-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001086605878 1002927092 /nfs/dbraw/zinc/92/70/92/1002927092.db2.gz ZZLGZWZDTQCNIG-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092658424 1003364535 /nfs/dbraw/zinc/36/45/35/1003364535.db2.gz UOXRXUIIJPSPRJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092658424 1003364546 /nfs/dbraw/zinc/36/45/46/1003364546.db2.gz UOXRXUIIJPSPRJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092658424 1003364556 /nfs/dbraw/zinc/36/45/56/1003364556.db2.gz UOXRXUIIJPSPRJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676571 1003404499 /nfs/dbraw/zinc/40/44/99/1003404499.db2.gz FNFWPDZSHRLPSM-KYJSFNMBSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676571 1003404507 /nfs/dbraw/zinc/40/45/07/1003404507.db2.gz FNFWPDZSHRLPSM-KYJSFNMBSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676571 1003404517 /nfs/dbraw/zinc/40/45/17/1003404517.db2.gz FNFWPDZSHRLPSM-KYJSFNMBSA-N 2 1 353.938 2.830 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@H]1C ZINC001092689636 1003492253 /nfs/dbraw/zinc/49/22/53/1003492253.db2.gz PCCVSRDFKQFOFK-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(CC)c2)C[C@H]1C ZINC001092689636 1003492256 /nfs/dbraw/zinc/49/22/56/1003492256.db2.gz PCCVSRDFKQFOFK-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(CC)c2)C[C@H]1C ZINC001092689636 1003492260 /nfs/dbraw/zinc/49/22/60/1003492260.db2.gz PCCVSRDFKQFOFK-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(CC)c2)C[C@H]1C ZINC001092689636 1003492265 /nfs/dbraw/zinc/49/22/65/1003492265.db2.gz PCCVSRDFKQFOFK-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001092689913 1003492504 /nfs/dbraw/zinc/49/25/04/1003492504.db2.gz RIIORNOTGGQNSU-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001092689913 1003492505 /nfs/dbraw/zinc/49/25/05/1003492505.db2.gz RIIORNOTGGQNSU-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001092689913 1003492507 /nfs/dbraw/zinc/49/25/07/1003492507.db2.gz RIIORNOTGGQNSU-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001092689913 1003492508 /nfs/dbraw/zinc/49/25/08/1003492508.db2.gz RIIORNOTGGQNSU-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196645517 1003874117 /nfs/dbraw/zinc/87/41/17/1003874117.db2.gz QDDSRNDDRZPNPF-QZTJIDSGSA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196645517 1003874131 /nfs/dbraw/zinc/87/41/31/1003874131.db2.gz QDDSRNDDRZPNPF-QZTJIDSGSA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197000704 1004036858 /nfs/dbraw/zinc/03/68/58/1004036858.db2.gz IEKNCJPYFBEWIX-RTBURBONSA-N 2 1 355.567 2.630 20 30 FFEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743092 1004719817 /nfs/dbraw/zinc/71/98/17/1004719817.db2.gz URLRRDRUODIKQA-ZHALLVOQSA-N 2 1 359.514 2.749 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199128023 1004836212 /nfs/dbraw/zinc/83/62/12/1004836212.db2.gz MGKSMQQUPUJTOW-AQNXPRMDSA-N 2 1 367.578 2.629 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001489048714 1005393245 /nfs/dbraw/zinc/39/32/45/1005393245.db2.gz KKJANZIUODZESD-NEWSRXKRSA-N 2 1 358.530 2.937 20 30 FFEDMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001189159750 1006931483 /nfs/dbraw/zinc/93/14/83/1006931483.db2.gz JQJCQSCKVBKAGN-LEWJYISDSA-N 2 1 367.537 2.549 20 30 FFEDMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001189159750 1006931494 /nfs/dbraw/zinc/93/14/94/1006931494.db2.gz JQJCQSCKVBKAGN-LEWJYISDSA-N 2 1 367.537 2.549 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001189159750 1006931503 /nfs/dbraw/zinc/93/15/03/1006931503.db2.gz JQJCQSCKVBKAGN-LEWJYISDSA-N 2 1 367.537 2.549 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)CC(C)(C)C ZINC001189159750 1006931515 /nfs/dbraw/zinc/93/15/15/1006931515.db2.gz JQJCQSCKVBKAGN-LEWJYISDSA-N 2 1 367.537 2.549 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)s3)[C@H](C)C2)CC[N@H+]1C ZINC001093781914 1010555122 /nfs/dbraw/zinc/55/51/22/1010555122.db2.gz LUGYSWNYKCDAFW-VVWQDTPRSA-N 2 1 374.554 2.534 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093835822 1010606561 /nfs/dbraw/zinc/60/65/61/1010606561.db2.gz LDBZRCINRXSXBQ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496594 1011158051 /nfs/dbraw/zinc/15/80/51/1011158051.db2.gz BYYBKVPHUKFAKG-IMBTUZDBSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496594 1011158053 /nfs/dbraw/zinc/15/80/53/1011158053.db2.gz BYYBKVPHUKFAKG-IMBTUZDBSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496594 1011158055 /nfs/dbraw/zinc/15/80/55/1011158055.db2.gz BYYBKVPHUKFAKG-IMBTUZDBSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497520 1011158972 /nfs/dbraw/zinc/15/89/72/1011158972.db2.gz BRSFPOUBMHTOSG-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497520 1011158976 /nfs/dbraw/zinc/15/89/76/1011158976.db2.gz BRSFPOUBMHTOSG-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509781 1011179818 /nfs/dbraw/zinc/17/98/18/1011179818.db2.gz LSZZODBMBPBPAP-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509781 1011179821 /nfs/dbraw/zinc/17/98/21/1011179821.db2.gz LSZZODBMBPBPAP-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303872344 1012475809 /nfs/dbraw/zinc/47/58/09/1012475809.db2.gz GIENBBHMDLWLBA-KRWDZBQOSA-N 2 1 359.562 2.812 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000303874390 1012478509 /nfs/dbraw/zinc/47/85/09/1012478509.db2.gz DAWQUIXUIJUYQW-KRWDZBQOSA-N 2 1 371.460 2.902 20 30 FFEDMP CCCCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000303892605 1012503731 /nfs/dbraw/zinc/50/37/31/1012503731.db2.gz NQXFVQWAHQNPEP-UHFFFAOYSA-N 2 1 359.562 2.809 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cn(-c2ccccc2)nc1C ZINC000303905999 1012513623 /nfs/dbraw/zinc/51/36/23/1012513623.db2.gz ZSIZTJLDUDZFRJ-FQEVSTJZSA-N 2 1 368.529 2.502 20 30 FFEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303906271 1012517079 /nfs/dbraw/zinc/51/70/79/1012517079.db2.gz ZVOQYFVABVOLDQ-FQEVSTJZSA-N 2 1 373.589 2.714 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H](C)CC(C)C)C[C@H]32)CC1 ZINC001222044103 1032694265 /nfs/dbraw/zinc/69/42/65/1032694265.db2.gz OUUMNTWADDWPQR-CEWLAPEOSA-N 2 1 359.558 2.547 20 30 FFEDMP N#CCCc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000926201786 1018028104 /nfs/dbraw/zinc/02/81/04/1018028104.db2.gz ZKTRQEHLLIWZHZ-BGYRXZFFSA-N 2 1 367.497 2.575 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001222130622 1032774410 /nfs/dbraw/zinc/77/44/10/1032774410.db2.gz GWNQNANJFHMWPK-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001222130622 1032774415 /nfs/dbraw/zinc/77/44/15/1032774415.db2.gz GWNQNANJFHMWPK-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2CC3(C[C@@H]2C(=O)OCC)CC[NH2+]CC3)c1 ZINC001222226890 1032837168 /nfs/dbraw/zinc/83/71/68/1032837168.db2.gz YGCFCEKLUAJEOF-LJQANCHMSA-N 2 1 358.482 2.759 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2CC3(C[C@@H]2C(=O)OCC)CC[NH2+]CC3)c1 ZINC001222226890 1032837184 /nfs/dbraw/zinc/83/71/84/1032837184.db2.gz YGCFCEKLUAJEOF-LJQANCHMSA-N 2 1 358.482 2.759 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001111017912 1020604193 /nfs/dbraw/zinc/60/41/93/1020604193.db2.gz GMIPKVPCJUDZFD-NCYKPQTJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001111017912 1020604199 /nfs/dbraw/zinc/60/41/99/1020604199.db2.gz GMIPKVPCJUDZFD-NCYKPQTJSA-N 2 1 368.525 2.900 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CCc1ccccc1)C2 ZINC001111030292 1020790522 /nfs/dbraw/zinc/79/05/22/1020790522.db2.gz AIFDCXAMUJVRHF-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030292 1020790531 /nfs/dbraw/zinc/79/05/31/1020790531.db2.gz AIFDCXAMUJVRHF-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030292 1020790537 /nfs/dbraw/zinc/79/05/37/1020790537.db2.gz AIFDCXAMUJVRHF-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030292 1020790546 /nfs/dbraw/zinc/79/05/46/1020790546.db2.gz AIFDCXAMUJVRHF-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030292 1020790553 /nfs/dbraw/zinc/79/05/53/1020790553.db2.gz AIFDCXAMUJVRHF-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098873128 1021288472 /nfs/dbraw/zinc/28/84/72/1021288472.db2.gz KTRUDFCYXZHYNJ-LNLFQRSKSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098873128 1021288476 /nfs/dbraw/zinc/28/84/76/1021288476.db2.gz KTRUDFCYXZHYNJ-LNLFQRSKSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873128 1021288490 /nfs/dbraw/zinc/28/84/90/1021288490.db2.gz KTRUDFCYXZHYNJ-LNLFQRSKSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873128 1021288494 /nfs/dbraw/zinc/28/84/94/1021288494.db2.gz KTRUDFCYXZHYNJ-LNLFQRSKSA-N 2 1 353.938 2.688 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001099029318 1021629493 /nfs/dbraw/zinc/62/94/93/1021629493.db2.gz AIDHJUPSWNRVSC-UNMCSNQZSA-N 2 1 355.526 2.951 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)(C)C)C3)CC1 ZINC001099174221 1022000307 /nfs/dbraw/zinc/00/03/07/1022000307.db2.gz DPFHMPHTZKVVMB-UGKGYDQZSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143088 1023277739 /nfs/dbraw/zinc/27/77/39/1023277739.db2.gz GZFVHASUKYNTMP-NRSPTQNISA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143088 1023277746 /nfs/dbraw/zinc/27/77/46/1023277746.db2.gz GZFVHASUKYNTMP-NRSPTQNISA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000753143088 1023277754 /nfs/dbraw/zinc/27/77/54/1023277754.db2.gz GZFVHASUKYNTMP-NRSPTQNISA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000753143088 1023277762 /nfs/dbraw/zinc/27/77/62/1023277762.db2.gz GZFVHASUKYNTMP-NRSPTQNISA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001491172587 1023321574 /nfs/dbraw/zinc/32/15/74/1023321574.db2.gz HYOJEYYPPQXLHS-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000755776569 1023634629 /nfs/dbraw/zinc/63/46/29/1023634629.db2.gz ADSVJNSNELJGNY-HXUWFJFHSA-N 2 1 364.497 2.746 20 30 FFEDMP C#CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000757776891 1023858609 /nfs/dbraw/zinc/85/86/09/1023858609.db2.gz CVUNPUGDFYJTLZ-LEWJYISDSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCCC)C[C@@]2(C)C1 ZINC001101270427 1024276843 /nfs/dbraw/zinc/27/68/43/1024276843.db2.gz MZHKTSVXMJDSRY-URVUXULASA-N 2 1 359.558 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCCC)C[C@@]2(C)C1 ZINC001101270427 1024276854 /nfs/dbraw/zinc/27/68/54/1024276854.db2.gz MZHKTSVXMJDSRY-URVUXULASA-N 2 1 359.558 2.835 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCCC)C[C@@]2(C)C1 ZINC001101270427 1024276866 /nfs/dbraw/zinc/27/68/66/1024276866.db2.gz MZHKTSVXMJDSRY-URVUXULASA-N 2 1 359.558 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCCCCC)C[C@@]2(C)C1 ZINC001101270427 1024276880 /nfs/dbraw/zinc/27/68/80/1024276880.db2.gz MZHKTSVXMJDSRY-URVUXULASA-N 2 1 359.558 2.835 20 30 FFEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](CC)CC ZINC001102356577 1025798276 /nfs/dbraw/zinc/79/82/76/1025798276.db2.gz QDLMEKLEWPNLHG-DUXKGJEZSA-N 2 1 370.541 2.863 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486994 1026102737 /nfs/dbraw/zinc/10/27/37/1026102737.db2.gz FZTOKTXENHHYNJ-RTBURBONSA-N 2 1 367.578 2.752 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599104 1026396558 /nfs/dbraw/zinc/39/65/58/1026396558.db2.gz PNJGCJNVPJEAJF-WIYYLYMNSA-N 2 1 368.525 2.618 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360398 1027305893 /nfs/dbraw/zinc/30/58/93/1027305893.db2.gz CEHXNKVVBRFHGS-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360398 1027305912 /nfs/dbraw/zinc/30/59/12/1027305912.db2.gz CEHXNKVVBRFHGS-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360398 1027305928 /nfs/dbraw/zinc/30/59/28/1027305928.db2.gz CEHXNKVVBRFHGS-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436263 1027482816 /nfs/dbraw/zinc/48/28/16/1027482816.db2.gz QNCMGYXJOKZFTR-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436263 1027482822 /nfs/dbraw/zinc/48/28/22/1027482822.db2.gz QNCMGYXJOKZFTR-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001103457202 1027515887 /nfs/dbraw/zinc/51/58/87/1027515887.db2.gz SULUFIGRMZOANK-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001103457202 1027515904 /nfs/dbraw/zinc/51/59/04/1027515904.db2.gz SULUFIGRMZOANK-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001103457202 1027515911 /nfs/dbraw/zinc/51/59/11/1027515911.db2.gz SULUFIGRMZOANK-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP N#Cc1c2c(cnc1N1C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C[NH2+]CCC2 ZINC001165090247 1029379869 /nfs/dbraw/zinc/37/98/69/1029379869.db2.gz XMLRVORPDDDEJC-XMSQKQJNSA-N 2 1 373.504 2.700 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001111853126 1029621398 /nfs/dbraw/zinc/62/13/98/1029621398.db2.gz IOAJPJZYKURGIX-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001111853126 1029621400 /nfs/dbraw/zinc/62/14/00/1029621400.db2.gz IOAJPJZYKURGIX-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001158403303 1029820008 /nfs/dbraw/zinc/82/00/08/1029820008.db2.gz DBPDPPZWBNFVTP-RBUKOAKNSA-N 2 1 361.917 2.518 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC/C=C\CC)C3)CC1 ZINC001112004175 1029851973 /nfs/dbraw/zinc/85/19/73/1029851973.db2.gz ODFIILPTTOBCLN-UJXIXULISA-N 2 1 357.542 2.659 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112179072 1030157759 /nfs/dbraw/zinc/15/77/59/1030157759.db2.gz SSFYIMHFOMWKQY-HUUCEWRRSA-N 2 1 358.408 2.527 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112179114 1030158638 /nfs/dbraw/zinc/15/86/38/1030158638.db2.gz VQGUBQSCSWGQKB-HUUCEWRRSA-N 2 1 358.408 2.527 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396710 1030739767 /nfs/dbraw/zinc/73/97/67/1030739767.db2.gz ATCCWXIQIONHDN-DWLFOUALSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(CC)CC)C1 ZINC001112404225 1030754824 /nfs/dbraw/zinc/75/48/24/1030754824.db2.gz OBBWFOXRGVNCJJ-ONTIZHBOSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(CC)CC)C1 ZINC001112404225 1030754842 /nfs/dbraw/zinc/75/48/42/1030754842.db2.gz OBBWFOXRGVNCJJ-ONTIZHBOSA-N 2 1 359.558 2.739 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)C1 ZINC001205000452 1031483960 /nfs/dbraw/zinc/48/39/60/1031483960.db2.gz FINMSEMFKBHVLM-OAQYLSRUSA-N 2 1 361.530 2.877 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611646 1031871480 /nfs/dbraw/zinc/87/14/80/1031871480.db2.gz OXWSUXPAZPWDCP-CEWLAPEOSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1F ZINC001205619400 1031876025 /nfs/dbraw/zinc/87/60/25/1031876025.db2.gz DMQHKZGOBUWMPG-AZUAARDMSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668547 1031921498 /nfs/dbraw/zinc/92/14/98/1031921498.db2.gz DNRADNSBHZQZHQ-FUHWJXTLSA-N 2 1 367.896 2.804 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668547 1031921507 /nfs/dbraw/zinc/92/15/07/1031921507.db2.gz DNRADNSBHZQZHQ-FUHWJXTLSA-N 2 1 367.896 2.804 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC1(c2ccc(C)cc2)CC[NH2+]CC1 ZINC001220868078 1034436357 /nfs/dbraw/zinc/43/63/57/1034436357.db2.gz AOLZEPVMHYRLPI-FQEVSTJZSA-N 2 1 355.526 2.773 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226774422 1034830349 /nfs/dbraw/zinc/83/03/49/1034830349.db2.gz MGNPDSCMWNFRTL-VAMGGRTRSA-N 2 1 363.546 2.613 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001277193297 1034986050 /nfs/dbraw/zinc/98/60/50/1034986050.db2.gz CPDPYAFSSVXQBZ-JCGIZDLHSA-N 2 1 362.543 2.725 20 30 FFEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001228699374 1036272153 /nfs/dbraw/zinc/27/21/53/1036272153.db2.gz MPAXTUXYTWXTBZ-PLACYPQZSA-N 2 1 355.526 2.925 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229852887 1036936425 /nfs/dbraw/zinc/93/64/25/1036936425.db2.gz NTBFJVNKENMALR-NHCUHLMSSA-N 2 1 355.526 2.787 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001230284696 1037196092 /nfs/dbraw/zinc/19/60/92/1037196092.db2.gz QNHPTRASDGUGLP-RTBURBONSA-N 2 1 360.477 2.555 20 30 FFEDMP C[NH+]1CCC([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001256207808 1038433541 /nfs/dbraw/zinc/43/35/41/1038433541.db2.gz QRMLZVWSBJSQSE-JOCHJYFZSA-N 2 1 368.525 2.571 20 30 FFEDMP C[NH+]1CCC([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001256207808 1038433544 /nfs/dbraw/zinc/43/35/44/1038433544.db2.gz QRMLZVWSBJSQSE-JOCHJYFZSA-N 2 1 368.525 2.571 20 30 FFEDMP C=CCN1CC[C@@]2(C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001208607479 1038442193 /nfs/dbraw/zinc/44/21/93/1038442193.db2.gz LGKYFJDPVPWPIU-LSWJPFSZSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001208607479 1038442199 /nfs/dbraw/zinc/44/21/99/1038442199.db2.gz LGKYFJDPVPWPIU-LSWJPFSZSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001208607479 1038442204 /nfs/dbraw/zinc/44/22/04/1038442204.db2.gz LGKYFJDPVPWPIU-LSWJPFSZSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001279056774 1039047471 /nfs/dbraw/zinc/04/74/71/1039047471.db2.gz MJHGMAOXTJJZJV-BGYRXZFFSA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001279056774 1039047488 /nfs/dbraw/zinc/04/74/88/1039047488.db2.gz MJHGMAOXTJJZJV-BGYRXZFFSA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001279056774 1039047507 /nfs/dbraw/zinc/04/75/07/1039047507.db2.gz MJHGMAOXTJJZJV-BGYRXZFFSA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001279056774 1039047526 /nfs/dbraw/zinc/04/75/26/1039047526.db2.gz MJHGMAOXTJJZJV-BGYRXZFFSA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001279056774 1039047543 /nfs/dbraw/zinc/04/75/43/1039047543.db2.gz MJHGMAOXTJJZJV-BGYRXZFFSA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769611 1039204414 /nfs/dbraw/zinc/20/44/14/1039204414.db2.gz PDZHNSBWCMTNJK-GPMSIDNRSA-N 2 1 353.470 2.672 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769611 1039204429 /nfs/dbraw/zinc/20/44/29/1039204429.db2.gz PDZHNSBWCMTNJK-GPMSIDNRSA-N 2 1 353.470 2.672 20 30 FFEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909455 1039578000 /nfs/dbraw/zinc/57/80/00/1039578000.db2.gz DUCJWJDUYBAWTN-IEBWSBKVSA-N 2 1 363.550 2.910 20 30 FFEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909455 1039578010 /nfs/dbraw/zinc/57/80/10/1039578010.db2.gz DUCJWJDUYBAWTN-IEBWSBKVSA-N 2 1 363.550 2.910 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001278680651 1039686083 /nfs/dbraw/zinc/68/60/83/1039686083.db2.gz DFIGAPDIRBNBEB-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001278680651 1039686087 /nfs/dbraw/zinc/68/60/87/1039686087.db2.gz DFIGAPDIRBNBEB-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)[nH]n1 ZINC001278487135 1039768031 /nfs/dbraw/zinc/76/80/31/1039768031.db2.gz JYLSHUUDMMQFIP-UXHICEINSA-N 2 1 352.486 2.653 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374552 1040119995 /nfs/dbraw/zinc/11/99/95/1040119995.db2.gz HZQGBMKNMVJGHM-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001213925979 1041078975 /nfs/dbraw/zinc/07/89/75/1041078975.db2.gz ZSEXMWXNEWGOMX-CEXWTWQISA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001213925979 1041078991 /nfs/dbraw/zinc/07/89/91/1041078991.db2.gz ZSEXMWXNEWGOMX-CEXWTWQISA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001213925979 1041079010 /nfs/dbraw/zinc/07/90/10/1041079010.db2.gz ZSEXMWXNEWGOMX-CEXWTWQISA-N 2 1 353.551 2.647 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263331457 1042244425 /nfs/dbraw/zinc/24/44/25/1042244425.db2.gz PMDMYVNKHLBLOY-RBUKOAKNSA-N 2 1 374.577 2.832 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C)[NH+](CC)CC ZINC001264160122 1042644140 /nfs/dbraw/zinc/64/41/40/1042644140.db2.gz FOIBRXIHIRRXTJ-LSTHTHJFSA-N 2 1 356.514 2.758 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](Cc4cnco4)CC3)C2)cc1C#N ZINC001279334875 1043009660 /nfs/dbraw/zinc/00/96/60/1043009660.db2.gz RWRFXSFGKCWOLM-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP C=C(C)COc1ccccc1C[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001237428692 1043153380 /nfs/dbraw/zinc/15/33/80/1043153380.db2.gz CCBZTTIFSFSKMQ-SFHVURJKSA-N 2 1 358.482 2.616 20 30 FFEDMP CC[NH+](CC)CCN1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237466393 1043182032 /nfs/dbraw/zinc/18/20/32/1043182032.db2.gz MRDZEXUNQBJPQI-UHFFFAOYSA-N 2 1 353.514 2.509 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942639 1045308609 /nfs/dbraw/zinc/30/86/09/1045308609.db2.gz CNVNOPFFRHJXFR-QYZOEREBSA-N 2 1 363.933 2.815 20 30 FFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001331711275 1048075903 /nfs/dbraw/zinc/07/59/03/1048075903.db2.gz FKVFNONVAJRHKC-IBGZPJMESA-N 2 1 370.541 2.623 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001333214907 1048763806 /nfs/dbraw/zinc/76/38/06/1048763806.db2.gz JZMJFEOPFNJPCN-AOIWGVFYSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001333214907 1048763817 /nfs/dbraw/zinc/76/38/17/1048763817.db2.gz JZMJFEOPFNJPCN-AOIWGVFYSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC001333214907 1048763827 /nfs/dbraw/zinc/76/38/27/1048763827.db2.gz JZMJFEOPFNJPCN-AOIWGVFYSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC001333214907 1048763836 /nfs/dbraw/zinc/76/38/36/1048763836.db2.gz JZMJFEOPFNJPCN-AOIWGVFYSA-N 2 1 374.554 2.528 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC001334080898 1049236714 /nfs/dbraw/zinc/23/67/14/1049236714.db2.gz CAPZPEQAUVGCAT-GHTZIAJQSA-N 2 1 371.525 2.723 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)CCC[NH2+]1 ZINC001340998633 1051334547 /nfs/dbraw/zinc/33/45/47/1051334547.db2.gz CIEAODWUWCEEQG-HXUWFJFHSA-N 2 1 353.470 2.667 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC001335440988 1053366016 /nfs/dbraw/zinc/36/60/16/1053366016.db2.gz OANSNFCHXAMSGR-MWGFUINXSA-N 2 1 372.509 2.545 20 30 FFEDMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338749312 1055782175 /nfs/dbraw/zinc/78/21/75/1055782175.db2.gz MFCXXMCURLLUEX-PKOBYXMFSA-N 2 1 372.561 2.932 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001350908792 1055994722 /nfs/dbraw/zinc/99/47/22/1055994722.db2.gz DZYDGXGHQQIXME-IBGZPJMESA-N 2 1 374.525 2.629 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2C#N)C2CCCC2)CC[N@H+]1C ZINC001500087668 1058436484 /nfs/dbraw/zinc/43/64/84/1058436484.db2.gz CNERSNLZVXVAGZ-HBGVWJBISA-N 2 1 368.525 2.663 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001479475967 1062453148 /nfs/dbraw/zinc/45/31/48/1062453148.db2.gz NVOWXCMOYLDBKX-DAYGRLMNSA-N 2 1 359.917 2.826 20 30 FFEDMP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC001469675981 1064189829 /nfs/dbraw/zinc/18/98/29/1064189829.db2.gz YKGKEFVMFDQCDJ-UHFFFAOYSA-N 2 1 366.465 2.607 20 30 FFEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001574908471 1078091879 /nfs/dbraw/zinc/09/18/79/1078091879.db2.gz OUALFSQUPYVDHS-FUHIMQAGSA-N 2 1 359.514 2.596 20 30 FFEDMP C=CCC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001574889249 1078090563 /nfs/dbraw/zinc/09/05/63/1078090563.db2.gz PAZQBFHRRDRZFH-IRXDYDNUSA-N 2 1 360.550 2.835 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927127 1078716566 /nfs/dbraw/zinc/71/65/66/1078716566.db2.gz KQNSQXIPEAZMEI-UAGQMJEPSA-N 2 1 358.486 2.807 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927127 1078716571 /nfs/dbraw/zinc/71/65/71/1078716571.db2.gz KQNSQXIPEAZMEI-UAGQMJEPSA-N 2 1 358.486 2.807 20 30 FFEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001566743754 1076979705 /nfs/dbraw/zinc/97/97/05/1076979705.db2.gz QSLIPHKIIDVHLC-FCEUIQTBSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001566743754 1076979710 /nfs/dbraw/zinc/97/97/10/1076979710.db2.gz QSLIPHKIIDVHLC-FCEUIQTBSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001566743754 1076979713 /nfs/dbraw/zinc/97/97/13/1076979713.db2.gz QSLIPHKIIDVHLC-FCEUIQTBSA-N 2 1 367.537 2.526 20 30 FFEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001567738400 1077049834 /nfs/dbraw/zinc/04/98/34/1077049834.db2.gz PAKKMTGXNLPMPV-NRSPTQNISA-N 2 1 355.526 2.688 20 30 FFEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567738400 1077049837 /nfs/dbraw/zinc/04/98/37/1077049837.db2.gz PAKKMTGXNLPMPV-NRSPTQNISA-N 2 1 355.526 2.688 20 30 FFEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567738400 1077049839 /nfs/dbraw/zinc/04/98/39/1077049839.db2.gz PAKKMTGXNLPMPV-NRSPTQNISA-N 2 1 355.526 2.688 20 30 FFEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001570119372 1077185048 /nfs/dbraw/zinc/18/50/48/1077185048.db2.gz WAFAEHNCCSVZSH-UXHICEINSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001570778843 1077230177 /nfs/dbraw/zinc/23/01/77/1077230177.db2.gz AIGQJPMYIUKLSL-QHAWAJNXSA-N 2 1 357.542 2.981 20 30 FFEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000377626215 512361306 /nfs/dbraw/zinc/36/13/06/512361306.db2.gz MAKJJKBIPHZZSG-HXUWFJFHSA-N 2 1 373.541 2.860 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000075322984 508097086 /nfs/dbraw/zinc/09/70/86/508097086.db2.gz VJKFRFIIBBGRNK-OAQYLSRUSA-N 2 1 367.537 2.702 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821188 508102914 /nfs/dbraw/zinc/10/29/14/508102914.db2.gz CGCRNPORMDIIRC-GOSISDBHSA-N 2 1 371.529 2.628 20 30 FFEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083170672 508239244 /nfs/dbraw/zinc/23/92/44/508239244.db2.gz QEPXKLKRKWDIKH-KRWDZBQOSA-N 2 1 360.527 2.777 20 30 FFEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083170672 508239245 /nfs/dbraw/zinc/23/92/45/508239245.db2.gz QEPXKLKRKWDIKH-KRWDZBQOSA-N 2 1 360.527 2.777 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000104180097 508329448 /nfs/dbraw/zinc/32/94/48/508329448.db2.gz NUAJKIVDXLIHQE-INIZCTEOSA-N 2 1 368.481 2.843 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000104180097 508329451 /nfs/dbraw/zinc/32/94/51/508329451.db2.gz NUAJKIVDXLIHQE-INIZCTEOSA-N 2 1 368.481 2.843 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000158958988 508773548 /nfs/dbraw/zinc/77/35/48/508773548.db2.gz MCDAOWPPUNYAFM-UTKZUKDTSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000158958988 508773551 /nfs/dbraw/zinc/77/35/51/508773551.db2.gz MCDAOWPPUNYAFM-UTKZUKDTSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000159004931 508779717 /nfs/dbraw/zinc/77/97/17/508779717.db2.gz CQSAUXRWSZIIRE-MJGOQNOKSA-N 2 1 351.454 2.713 20 30 FFEDMP C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000159004931 508779721 /nfs/dbraw/zinc/77/97/21/508779721.db2.gz CQSAUXRWSZIIRE-MJGOQNOKSA-N 2 1 351.454 2.713 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000131438957 508931868 /nfs/dbraw/zinc/93/18/68/508931868.db2.gz KQIOBWFBKIFKKK-UHFFFAOYSA-N 2 1 356.514 2.593 20 30 FFEDMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000150996876 508937452 /nfs/dbraw/zinc/93/74/52/508937452.db2.gz NMIIGCDNUHOEHL-UHFFFAOYSA-N 2 1 374.504 2.757 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000132799137 509076489 /nfs/dbraw/zinc/07/64/89/509076489.db2.gz BERZZBXUNHHLBH-LJQANCHMSA-N 2 1 350.551 2.837 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000247890615 509187458 /nfs/dbraw/zinc/18/74/58/509187458.db2.gz FHDMTSGSCDZDMY-XUVXKRRUSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000247890615 509187466 /nfs/dbraw/zinc/18/74/66/509187466.db2.gz FHDMTSGSCDZDMY-XUVXKRRUSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000247890615 509187472 /nfs/dbraw/zinc/18/74/72/509187472.db2.gz FHDMTSGSCDZDMY-XUVXKRRUSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000247890616 509187727 /nfs/dbraw/zinc/18/77/27/509187727.db2.gz FHDMTSGSCDZDMY-ZCNNSNEGSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000247890616 509187732 /nfs/dbraw/zinc/18/77/32/509187732.db2.gz FHDMTSGSCDZDMY-ZCNNSNEGSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000247890616 509187740 /nfs/dbraw/zinc/18/77/40/509187740.db2.gz FHDMTSGSCDZDMY-ZCNNSNEGSA-N 2 1 374.525 2.580 20 30 FFEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267314083 509443678 /nfs/dbraw/zinc/44/36/78/509443678.db2.gz OFUQRSLOIFGSCY-QGZVFWFLSA-N 2 1 357.546 2.566 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000176720678 509656666 /nfs/dbraw/zinc/65/66/66/509656666.db2.gz MAZUJLKEZSJZRF-RXVVDRJESA-N 2 1 353.510 2.501 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000170912097 509843458 /nfs/dbraw/zinc/84/34/58/509843458.db2.gz SDMOJSGEZBCPER-IBGZPJMESA-N 2 1 366.509 2.664 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245536511 509989515 /nfs/dbraw/zinc/98/95/15/509989515.db2.gz LIMUMZKRFKQEIO-LEWJYISDSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245536511 509989519 /nfs/dbraw/zinc/98/95/19/509989519.db2.gz LIMUMZKRFKQEIO-LEWJYISDSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245536511 509989522 /nfs/dbraw/zinc/98/95/22/509989522.db2.gz LIMUMZKRFKQEIO-LEWJYISDSA-N 2 1 368.525 2.735 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000187678825 510383027 /nfs/dbraw/zinc/38/30/27/510383027.db2.gz RKBJKINUXFDCGZ-GOSISDBHSA-N 2 1 368.525 2.885 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262800600 510417097 /nfs/dbraw/zinc/41/70/97/510417097.db2.gz QUKSNCKIIFGGIE-GOEBONIOSA-N 2 1 353.470 2.632 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000172229892 510611854 /nfs/dbraw/zinc/61/18/54/510611854.db2.gz GAEMNRDCLBJLJN-HXUWFJFHSA-N 2 1 356.514 2.601 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247000610 510792475 /nfs/dbraw/zinc/79/24/75/510792475.db2.gz WVNVVMOKYPJTLV-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247000610 510792482 /nfs/dbraw/zinc/79/24/82/510792482.db2.gz WVNVVMOKYPJTLV-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247000610 510792489 /nfs/dbraw/zinc/79/24/89/510792489.db2.gz WVNVVMOKYPJTLV-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247000610 510792494 /nfs/dbraw/zinc/79/24/94/510792494.db2.gz WVNVVMOKYPJTLV-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277124581 510954627 /nfs/dbraw/zinc/95/46/27/510954627.db2.gz IACCLWWJSXWMIC-OALUTQOASA-N 2 1 362.514 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277124581 510954631 /nfs/dbraw/zinc/95/46/31/510954631.db2.gz IACCLWWJSXWMIC-OALUTQOASA-N 2 1 362.514 2.580 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330292894 510959135 /nfs/dbraw/zinc/95/91/35/510959135.db2.gz HKDCFPAHWMBWOW-FGTMMUONSA-N 2 1 359.518 2.698 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330292894 510959137 /nfs/dbraw/zinc/95/91/37/510959137.db2.gz HKDCFPAHWMBWOW-FGTMMUONSA-N 2 1 359.518 2.698 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287725528 511055398 /nfs/dbraw/zinc/05/53/98/511055398.db2.gz NUVQWZCRNXSEOH-YLJYHZDGSA-N 2 1 356.514 2.599 20 30 FFEDMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329131623 511989519 /nfs/dbraw/zinc/98/95/19/511989519.db2.gz XXCLLMVDZFFZFB-UONOGXRCSA-N 2 1 351.520 2.699 20 30 FFEDMP C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329131623 511989523 /nfs/dbraw/zinc/98/95/23/511989523.db2.gz XXCLLMVDZFFZFB-UONOGXRCSA-N 2 1 351.520 2.699 20 30 FFEDMP COc1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000390888219 512913205 /nfs/dbraw/zinc/91/32/05/512913205.db2.gz ZNVBZSIELLTWEV-NRFANRHFSA-N 2 1 365.477 2.948 20 30 FFEDMP COc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)ccc1C#N ZINC000390888219 512913206 /nfs/dbraw/zinc/91/32/06/512913206.db2.gz ZNVBZSIELLTWEV-NRFANRHFSA-N 2 1 365.477 2.948 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC000448977181 514003473 /nfs/dbraw/zinc/00/34/73/514003473.db2.gz XPPDIALRWKTLMN-LJQANCHMSA-N 2 1 353.470 2.696 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000499806331 515461386 /nfs/dbraw/zinc/46/13/86/515461386.db2.gz YDTFKJOZGQJYLY-RTBURBONSA-N 2 1 370.541 2.941 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc(OC)c1O ZINC000517588837 516377423 /nfs/dbraw/zinc/37/74/23/516377423.db2.gz TUJDOTWIIAAUPE-IBGZPJMESA-N 2 1 360.498 2.816 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521595441 517790346 /nfs/dbraw/zinc/79/03/46/517790346.db2.gz KEWXFKILSXGRDL-HDICACEKSA-N 2 1 350.551 2.694 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000539145399 517932145 /nfs/dbraw/zinc/93/21/45/517932145.db2.gz KINLTCUROASZLY-QZTJIDSGSA-N 2 1 351.535 2.907 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C#N)s1 ZINC000530949831 518065606 /nfs/dbraw/zinc/06/56/06/518065606.db2.gz CTWQKDKLILBFCB-UHFFFAOYSA-N 2 1 374.554 2.888 20 30 FFEDMP C[NH+]1CCC(CNc2ccc(C#N)c([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000563791536 518125084 /nfs/dbraw/zinc/12/50/84/518125084.db2.gz YUVLNUQWOICFGG-UHFFFAOYSA-N 2 1 357.458 2.829 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000564844487 518646022 /nfs/dbraw/zinc/64/60/22/518646022.db2.gz MQQPBAHXGBPZBB-IBGZPJMESA-N 2 1 352.906 2.848 20 30 FFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCc1c[nH+]cn1C ZINC000565237212 518856897 /nfs/dbraw/zinc/85/68/97/518856897.db2.gz HEPGHZDWPDZMBL-UHFFFAOYSA-N 2 1 374.558 2.951 20 30 FFEDMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437414 519962942 /nfs/dbraw/zinc/96/29/42/519962942.db2.gz JPAXVTQCIOWDCX-YZGWKJHDSA-N 2 1 356.514 2.909 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000609166822 520217642 /nfs/dbraw/zinc/21/76/42/520217642.db2.gz DISFZZZRXGWHDC-LJQANCHMSA-N 2 1 374.504 2.732 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259364 520377430 /nfs/dbraw/zinc/37/74/30/520377430.db2.gz LHFSOTYBTTXBGJ-PMACEKPBSA-N 2 1 368.525 2.816 20 30 FFEDMP C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725019 520426669 /nfs/dbraw/zinc/42/66/69/520426669.db2.gz AKEFRTCHARMUPH-ICSRJNTNSA-N 2 1 359.514 2.558 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593882352 521269837 /nfs/dbraw/zinc/26/98/37/521269837.db2.gz IRLQYFFRERLGQM-FQEVSTJZSA-N 2 1 354.498 2.513 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000261677349 729651746 /nfs/dbraw/zinc/65/17/46/729651746.db2.gz CSDXROSVCIUOQD-INIZCTEOSA-N 2 1 350.576 2.798 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)Cc1ccon1 ZINC000261798378 729653917 /nfs/dbraw/zinc/65/39/17/729653917.db2.gz REWSQYASENUFHY-YOEHRIQHSA-N 2 1 361.515 2.826 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CCC(O)CC1 ZINC000262449632 729666396 /nfs/dbraw/zinc/66/63/96/729666396.db2.gz VSHHIYXDCPVPGY-YJBOKZPZSA-N 2 1 364.559 2.553 20 30 FFEDMP CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]NC(=S)NCCC[NH+](C)C ZINC000731930674 734706510 /nfs/dbraw/zinc/70/65/10/734706510.db2.gz HFQAMWNMHWGOJC-WWFSJLBKSA-N 2 1 359.543 2.700 20 30 FFEDMP CN1c2ccccc2C(C)(C)/C1=C\C=[NH+]NC(=S)NCCC[NH+](C)C ZINC000731930673 734706531 /nfs/dbraw/zinc/70/65/31/734706531.db2.gz HFQAMWNMHWGOJC-BSVACEAUSA-N 2 1 359.543 2.700 20 30 FFEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004453005 742232748 /nfs/dbraw/zinc/23/27/48/742232748.db2.gz VFISMLDBIYNJCD-KBAYOESNSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004453005 742232750 /nfs/dbraw/zinc/23/27/50/742232750.db2.gz VFISMLDBIYNJCD-KBAYOESNSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004453005 742232754 /nfs/dbraw/zinc/23/27/54/742232754.db2.gz VFISMLDBIYNJCD-KBAYOESNSA-N 2 1 353.938 2.782 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CC1 ZINC000819679228 742421570 /nfs/dbraw/zinc/42/15/70/742421570.db2.gz YNAKCMHQHATKDY-UHFFFAOYSA-N 2 1 360.527 2.583 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039133230 742988072 /nfs/dbraw/zinc/98/80/72/742988072.db2.gz RNTNELQSMRTYKM-BPQIPLTHSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133230 742988076 /nfs/dbraw/zinc/98/80/76/742988076.db2.gz RNTNELQSMRTYKM-BPQIPLTHSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133230 742988080 /nfs/dbraw/zinc/98/80/80/742988080.db2.gz RNTNELQSMRTYKM-BPQIPLTHSA-N 2 1 353.938 2.640 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551642 748958017 /nfs/dbraw/zinc/95/80/17/748958017.db2.gz RSPJMELPAZHQJE-LBPRGKRZSA-N 2 1 355.276 2.769 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551642 748958023 /nfs/dbraw/zinc/95/80/23/748958023.db2.gz RSPJMELPAZHQJE-LBPRGKRZSA-N 2 1 355.276 2.769 20 30 FFEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275840505 1013070195 /nfs/dbraw/zinc/07/01/95/1013070195.db2.gz MMYCOPGDLICNPE-RQWLHQTBSA-N 2 1 365.562 2.768 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042569 971400115 /nfs/dbraw/zinc/40/01/15/971400115.db2.gz XMBUNRNYMZIMSO-VAMGGRTRSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042569 971400116 /nfs/dbraw/zinc/40/01/16/971400116.db2.gz XMBUNRNYMZIMSO-VAMGGRTRSA-N 2 1 367.578 2.752 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973301 971415506 /nfs/dbraw/zinc/41/55/06/971415506.db2.gz SHZOTBQBCXZJBI-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973301 971415509 /nfs/dbraw/zinc/41/55/09/971415509.db2.gz SHZOTBQBCXZJBI-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973301 971415514 /nfs/dbraw/zinc/41/55/14/971415514.db2.gz SHZOTBQBCXZJBI-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973301 971415518 /nfs/dbraw/zinc/41/55/18/971415518.db2.gz SHZOTBQBCXZJBI-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000974600276 972047876 /nfs/dbraw/zinc/04/78/76/972047876.db2.gz PFTKKPZXDJNXSS-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000974600276 972047883 /nfs/dbraw/zinc/04/78/83/972047883.db2.gz PFTKKPZXDJNXSS-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104294435 962378517 /nfs/dbraw/zinc/37/85/17/962378517.db2.gz PTPPUDAFIPOYLR-TZIWHRDSSA-N 2 1 367.537 2.597 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087473080 965481888 /nfs/dbraw/zinc/48/18/88/965481888.db2.gz MTQHILAPBSVZBN-ACRUOGEOSA-N 2 1 371.525 2.640 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087473080 965481898 /nfs/dbraw/zinc/48/18/98/965481898.db2.gz MTQHILAPBSVZBN-ACRUOGEOSA-N 2 1 371.525 2.640 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087473080 965481907 /nfs/dbraw/zinc/48/19/07/965481907.db2.gz MTQHILAPBSVZBN-ACRUOGEOSA-N 2 1 371.525 2.640 20 30 FFEDMP C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101753 965776778 /nfs/dbraw/zinc/77/67/78/965776778.db2.gz LWOHQSAOIFZJOW-CSODHUTKSA-N 2 1 368.525 2.615 20 30 FFEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262463726 973354490 /nfs/dbraw/zinc/35/44/90/973354490.db2.gz SRMXOZGEDTWEPW-QFHJOOASSA-N 2 1 374.529 2.785 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]2C1 ZINC001088217904 973707411 /nfs/dbraw/zinc/70/74/11/973707411.db2.gz GGRQAEJUPJVGDQ-MSOLQXFVSA-N 2 1 357.498 2.539 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529790 975360993 /nfs/dbraw/zinc/36/09/93/975360993.db2.gz PLSGUELRAWYYNI-DZFGPLHGSA-N 2 1 365.537 2.993 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(C#N)cc2)CC(C)C)CC[N@H+]1C ZINC001268103686 976480689 /nfs/dbraw/zinc/48/06/89/976480689.db2.gz DWHBGRIVIDZETB-PCCBWWKXSA-N 2 1 370.541 2.909 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707365 977310685 /nfs/dbraw/zinc/31/06/85/977310685.db2.gz OLFXBPYIHLKJAQ-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001087458282 977921025 /nfs/dbraw/zinc/92/10/25/977921025.db2.gz ULTLDBAOHJTHRL-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087458282 977921028 /nfs/dbraw/zinc/92/10/28/977921028.db2.gz ULTLDBAOHJTHRL-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087458282 977921034 /nfs/dbraw/zinc/92/10/34/977921034.db2.gz ULTLDBAOHJTHRL-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087458282 977921036 /nfs/dbraw/zinc/92/10/36/977921036.db2.gz ULTLDBAOHJTHRL-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCS[C@@H](C(C)C)C1 ZINC000261850144 978503059 /nfs/dbraw/zinc/50/30/59/978503059.db2.gz XWMPMJGQGMTGIB-QGZVFWFLSA-N 2 1 372.542 2.725 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126206677 981187545 /nfs/dbraw/zinc/18/75/45/981187545.db2.gz DGIXCBOAHWMPPS-YLJYHZDGSA-N 2 1 360.546 2.685 20 30 FFEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042369 1014763103 /nfs/dbraw/zinc/76/31/03/1014763103.db2.gz PQLUYWMXEPVVGZ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042369 1014763115 /nfs/dbraw/zinc/76/31/15/1014763115.db2.gz PQLUYWMXEPVVGZ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042369 1014763126 /nfs/dbraw/zinc/76/31/26/1014763126.db2.gz PQLUYWMXEPVVGZ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088621467 981961883 /nfs/dbraw/zinc/96/18/83/981961883.db2.gz FVIMENSKSIREEO-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088621467 981961892 /nfs/dbraw/zinc/96/18/92/981961892.db2.gz FVIMENSKSIREEO-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001168323064 982902038 /nfs/dbraw/zinc/90/20/38/982902038.db2.gz OVTZFXVPYKVABG-AJTFCVKESA-N 2 1 366.509 2.860 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484951 984587820 /nfs/dbraw/zinc/58/78/20/984587820.db2.gz BVVZXOHGAXLHDQ-QWFCFKBJSA-N 2 1 365.949 2.974 20 30 FFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549543 984667304 /nfs/dbraw/zinc/66/73/04/984667304.db2.gz AUXCXESQVDTTCM-AHRSYUTCSA-N 2 1 351.510 2.746 20 30 FFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549543 984667312 /nfs/dbraw/zinc/66/73/12/984667312.db2.gz AUXCXESQVDTTCM-AHRSYUTCSA-N 2 1 351.510 2.746 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549543 984667320 /nfs/dbraw/zinc/66/73/20/984667320.db2.gz AUXCXESQVDTTCM-AHRSYUTCSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643259 984926073 /nfs/dbraw/zinc/92/60/73/984926073.db2.gz DFLXOMRFBRUYOR-IEBWSBKVSA-N 2 1 353.938 2.976 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001089179775 986505570 /nfs/dbraw/zinc/50/55/70/986505570.db2.gz GJIMJXJWZXPULT-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001089179775 986505580 /nfs/dbraw/zinc/50/55/80/986505580.db2.gz GJIMJXJWZXPULT-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001089179775 986505585 /nfs/dbraw/zinc/50/55/85/986505585.db2.gz GJIMJXJWZXPULT-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP COC[C@@H]1CCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000879051126 1015340912 /nfs/dbraw/zinc/34/09/12/1015340912.db2.gz NNNOMXPVNUWRDI-SFTDATJTSA-N 2 1 357.498 2.780 20 30 FFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577967 988427434 /nfs/dbraw/zinc/42/74/34/988427434.db2.gz XHFVUCXQCTWLAJ-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577967 988427438 /nfs/dbraw/zinc/42/74/38/988427438.db2.gz XHFVUCXQCTWLAJ-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCc1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc(OC)c1O ZINC000922388854 988535310 /nfs/dbraw/zinc/53/53/10/988535310.db2.gz RVMQLZJRTQHSNO-MCEIDBOGSA-N 2 1 374.525 2.699 20 30 FFEDMP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386157 988541368 /nfs/dbraw/zinc/54/13/68/988541368.db2.gz CIEQMUPQHJSGNJ-YSFYHYPLSA-N 2 1 356.510 2.658 20 30 FFEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000920281629 990827410 /nfs/dbraw/zinc/82/74/10/990827410.db2.gz GBYFTAXLLDNACS-LPHOPBHVSA-N 2 1 374.554 2.528 20 30 FFEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311063 992945186 /nfs/dbraw/zinc/94/51/86/992945186.db2.gz QAXGCGCYTFQXKE-BAGYTPMASA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311063 992945195 /nfs/dbraw/zinc/94/51/95/992945195.db2.gz QAXGCGCYTFQXKE-BAGYTPMASA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311063 992945201 /nfs/dbraw/zinc/94/52/01/992945201.db2.gz QAXGCGCYTFQXKE-BAGYTPMASA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001080311063 992945212 /nfs/dbraw/zinc/94/52/12/992945212.db2.gz QAXGCGCYTFQXKE-BAGYTPMASA-N 2 1 367.537 2.597 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086695093 995153349 /nfs/dbraw/zinc/15/33/49/995153349.db2.gz AZJMRCDLCKGSGP-PWRODBHTSA-N 2 1 368.525 2.806 20 30 FFEDMP N#CC1(CCCC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC1 ZINC000903769601 1016185239 /nfs/dbraw/zinc/18/52/39/1016185239.db2.gz KCQPXFLIHYWBIH-GOSISDBHSA-N 2 1 370.545 2.863 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001085033473 998725265 /nfs/dbraw/zinc/72/52/65/998725265.db2.gz IHXSUIDTCUAMRE-CTNGQTDRSA-N 2 1 355.526 2.903 20 30 FFEDMP C#CCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000743147670 999801579 /nfs/dbraw/zinc/80/15/79/999801579.db2.gz REMQALZGQINVEP-IBGZPJMESA-N 2 1 372.513 2.578 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001109418821 1000410325 /nfs/dbraw/zinc/41/03/25/1000410325.db2.gz CZIGATBUWFQBFS-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001109418821 1000410329 /nfs/dbraw/zinc/41/03/29/1000410329.db2.gz CZIGATBUWFQBFS-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109418821 1000410332 /nfs/dbraw/zinc/41/03/32/1000410332.db2.gz CZIGATBUWFQBFS-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001000695230 1016436523 /nfs/dbraw/zinc/43/65/23/1016436523.db2.gz IPKDKCQXQUYWPK-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599607 1002722182 /nfs/dbraw/zinc/72/21/82/1002722182.db2.gz YQEGNWRLAIMBLE-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599607 1002722190 /nfs/dbraw/zinc/72/21/90/1002722190.db2.gz YQEGNWRLAIMBLE-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000793369757 1003345290 /nfs/dbraw/zinc/34/52/90/1003345290.db2.gz LIPVGOSWOZCTMG-INIZCTEOSA-N 2 1 352.438 2.703 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817213 1003610399 /nfs/dbraw/zinc/61/03/99/1003610399.db2.gz OZTRDTGZHJZXPU-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197929630 1004412464 /nfs/dbraw/zinc/41/24/64/1004412464.db2.gz JFFPUDPQHOTSBI-INIZCTEOSA-N 2 1 352.438 2.551 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001197929630 1004412472 /nfs/dbraw/zinc/41/24/72/1004412472.db2.gz JFFPUDPQHOTSBI-INIZCTEOSA-N 2 1 352.438 2.551 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001488584963 1005362964 /nfs/dbraw/zinc/36/29/64/1005362964.db2.gz WVVLIMAUFWJSIL-MBOZVWFJSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001488584963 1005362965 /nfs/dbraw/zinc/36/29/65/1005362965.db2.gz WVVLIMAUFWJSIL-MBOZVWFJSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001488584963 1005362968 /nfs/dbraw/zinc/36/29/68/1005362968.db2.gz WVVLIMAUFWJSIL-MBOZVWFJSA-N 2 1 351.510 2.698 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C)[NH+](C)C ZINC001489290703 1005450166 /nfs/dbraw/zinc/45/01/66/1005450166.db2.gz MTTXUVFCPVTYOW-MNEFBYGVSA-N 2 1 361.917 2.611 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C)[NH+](C)C ZINC001489290703 1005450167 /nfs/dbraw/zinc/45/01/67/1005450167.db2.gz MTTXUVFCPVTYOW-MNEFBYGVSA-N 2 1 361.917 2.611 20 30 FFEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045331 1006645561 /nfs/dbraw/zinc/64/55/61/1006645561.db2.gz XRBWSSGCCXKMCM-RXVVDRJESA-N 2 1 367.537 2.747 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658765 1006654842 /nfs/dbraw/zinc/65/48/42/1006654842.db2.gz LNPPREWMPJVNER-FUHWJXTLSA-N 2 1 353.938 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658765 1006654851 /nfs/dbraw/zinc/65/48/51/1006654851.db2.gz LNPPREWMPJVNER-FUHWJXTLSA-N 2 1 353.938 2.926 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658765 1006654862 /nfs/dbraw/zinc/65/48/62/1006654862.db2.gz LNPPREWMPJVNER-FUHWJXTLSA-N 2 1 353.938 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658765 1006654869 /nfs/dbraw/zinc/65/48/69/1006654869.db2.gz LNPPREWMPJVNER-FUHWJXTLSA-N 2 1 353.938 2.926 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652703 1006740597 /nfs/dbraw/zinc/74/05/97/1006740597.db2.gz NVGHDKFEGYPDQM-ROUUACIJSA-N 2 1 367.493 2.529 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652703 1006740603 /nfs/dbraw/zinc/74/06/03/1006740603.db2.gz NVGHDKFEGYPDQM-ROUUACIJSA-N 2 1 367.493 2.529 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000862276523 1009779037 /nfs/dbraw/zinc/77/90/37/1009779037.db2.gz RZZKLZWBFPPLFW-QGZVFWFLSA-N 2 1 367.534 2.989 20 30 FFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369572 1010232408 /nfs/dbraw/zinc/23/24/08/1010232408.db2.gz DGFZMAKWTAYBJS-MISYRCLQSA-N 2 1 359.558 2.996 20 30 FFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369572 1010232417 /nfs/dbraw/zinc/23/24/17/1010232417.db2.gz DGFZMAKWTAYBJS-MISYRCLQSA-N 2 1 359.558 2.996 20 30 FFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369572 1010232427 /nfs/dbraw/zinc/23/24/27/1010232427.db2.gz DGFZMAKWTAYBJS-MISYRCLQSA-N 2 1 359.558 2.996 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093805883 1010582937 /nfs/dbraw/zinc/58/29/37/1010582937.db2.gz LRKYZXUEDPRAGS-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC001093833034 1010604033 /nfs/dbraw/zinc/60/40/33/1010604033.db2.gz OGNOMSIXBPPAGJ-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC001093833034 1010604040 /nfs/dbraw/zinc/60/40/40/1010604040.db2.gz OGNOMSIXBPPAGJ-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)s1 ZINC001110153347 1010822151 /nfs/dbraw/zinc/82/21/51/1010822151.db2.gz UNSSPJCZMBACSJ-MNEFBYGVSA-N 2 1 372.538 2.717 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)s1 ZINC001110153347 1010822156 /nfs/dbraw/zinc/82/21/56/1010822156.db2.gz UNSSPJCZMBACSJ-MNEFBYGVSA-N 2 1 372.538 2.717 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094454370 1011144943 /nfs/dbraw/zinc/14/49/43/1011144943.db2.gz YWAIEEIEXKUXRL-UYAOXDASSA-N 2 1 360.502 2.677 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094454370 1011144947 /nfs/dbraw/zinc/14/49/47/1011144947.db2.gz YWAIEEIEXKUXRL-UYAOXDASSA-N 2 1 360.502 2.677 20 30 FFEDMP CCN1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172038978 1011601863 /nfs/dbraw/zinc/60/18/63/1011601863.db2.gz OHBQJEYQMRAKGG-UFYCRDLUSA-N 2 1 354.498 2.641 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3C#N)CC1)C2 ZINC001172114765 1011645333 /nfs/dbraw/zinc/64/53/33/1011645333.db2.gz PXASOGCMNHHWIG-ACDBMABISA-N 2 1 366.509 2.768 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3C#N)CC1)C2 ZINC001172114765 1011645344 /nfs/dbraw/zinc/64/53/44/1011645344.db2.gz PXASOGCMNHHWIG-ACDBMABISA-N 2 1 366.509 2.768 20 30 FFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250734 1011725187 /nfs/dbraw/zinc/72/51/87/1011725187.db2.gz GSIWZGIXNBUXJY-NHCUHLMSSA-N 2 1 366.546 2.561 20 30 FFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250734 1011725201 /nfs/dbraw/zinc/72/52/01/1011725201.db2.gz GSIWZGIXNBUXJY-NHCUHLMSSA-N 2 1 366.546 2.561 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313237 1011742357 /nfs/dbraw/zinc/74/23/57/1011742357.db2.gz SFXIMEOSGSPXTJ-YLJYHZDGSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313237 1011742370 /nfs/dbraw/zinc/74/23/70/1011742370.db2.gz SFXIMEOSGSPXTJ-YLJYHZDGSA-N 2 1 369.509 2.839 20 30 FFEDMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(CC#N)CC1 ZINC001173336430 1012450359 /nfs/dbraw/zinc/45/03/59/1012450359.db2.gz YRUDXHHURGSHKK-DAWZGUTISA-N 2 1 357.502 2.610 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303904082 1012514231 /nfs/dbraw/zinc/51/42/31/1012514231.db2.gz YPMREDPTGCZYKN-OAHLLOKOSA-N 2 1 368.481 2.877 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303904082 1012514240 /nfs/dbraw/zinc/51/42/40/1012514240.db2.gz YPMREDPTGCZYKN-OAHLLOKOSA-N 2 1 368.481 2.877 20 30 FFEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173588237 1012762667 /nfs/dbraw/zinc/76/26/67/1012762667.db2.gz ADFYTHREEXUZBQ-UHFFFAOYSA-N 2 1 350.507 2.777 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221738 1032831423 /nfs/dbraw/zinc/83/14/23/1032831423.db2.gz RKLYUOPQCQGQCE-GOSISDBHSA-N 2 1 358.482 2.759 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221738 1032831424 /nfs/dbraw/zinc/83/14/24/1032831424.db2.gz RKLYUOPQCQGQCE-GOSISDBHSA-N 2 1 358.482 2.759 20 30 FFEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC#CC[NH+](C)C)c1 ZINC000929773035 1019640499 /nfs/dbraw/zinc/64/04/99/1019640499.db2.gz RISOCAAAFTWPLU-UHFFFAOYSA-N 2 1 353.470 2.741 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2N2CC[NH2+]CC2)C1 ZINC001218337261 1033112835 /nfs/dbraw/zinc/11/28/35/1033112835.db2.gz RBYBIKCUTJQJDI-FQEVSTJZSA-N 2 1 362.477 2.621 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375380 1025840904 /nfs/dbraw/zinc/84/09/04/1025840904.db2.gz FTTPUSNXYOUZJG-TZIWHRDSSA-N 2 1 369.553 2.700 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375380 1025840910 /nfs/dbraw/zinc/84/09/10/1025840910.db2.gz FTTPUSNXYOUZJG-TZIWHRDSSA-N 2 1 369.553 2.700 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375380 1025840918 /nfs/dbraw/zinc/84/09/18/1025840918.db2.gz FTTPUSNXYOUZJG-TZIWHRDSSA-N 2 1 369.553 2.700 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000838622657 1026443919 /nfs/dbraw/zinc/44/39/19/1026443919.db2.gz IXQQEPHBIVRWFB-CTNGQTDRSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000838622657 1026443925 /nfs/dbraw/zinc/44/39/25/1026443925.db2.gz IXQQEPHBIVRWFB-CTNGQTDRSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000838622657 1026443931 /nfs/dbraw/zinc/44/39/31/1026443931.db2.gz IXQQEPHBIVRWFB-CTNGQTDRSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987570 1026858473 /nfs/dbraw/zinc/85/84/73/1026858473.db2.gz HRHZSSCFWFLREX-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987570 1026858483 /nfs/dbraw/zinc/85/84/83/1026858483.db2.gz HRHZSSCFWFLREX-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987570 1026858487 /nfs/dbraw/zinc/85/84/87/1026858487.db2.gz HRHZSSCFWFLREX-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001103111793 1026971164 /nfs/dbraw/zinc/97/11/64/1026971164.db2.gz OZJTWXYSASACCV-UIFIKXQLSA-N 2 1 370.541 2.719 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141922 1026997732 /nfs/dbraw/zinc/99/77/32/1026997732.db2.gz ZSZNKCRVIPFOLR-NVXWUHKLSA-N 2 1 353.938 2.689 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237349 1027089562 /nfs/dbraw/zinc/08/95/62/1027089562.db2.gz TXKRFTLWBSJEBH-QZTJIDSGSA-N 2 1 358.530 2.802 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237349 1027089564 /nfs/dbraw/zinc/08/95/64/1027089564.db2.gz TXKRFTLWBSJEBH-QZTJIDSGSA-N 2 1 358.530 2.802 20 30 FFEDMP CCC(=O)On1nc2c(c1Nc1ccc([C@@H]3CCC[NH2+]3)cc1)C[NH2+]C2(C)C ZINC001159392578 1027378148 /nfs/dbraw/zinc/37/81/48/1027378148.db2.gz FBIXKZPSFCYNSG-INIZCTEOSA-N 2 1 369.469 2.755 20 30 FFEDMP N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372949 1028700865 /nfs/dbraw/zinc/70/08/65/1028700865.db2.gz LLACXSVQSFBBLS-IBGZPJMESA-N 2 1 365.456 2.619 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001111916062 1029730024 /nfs/dbraw/zinc/73/00/24/1029730024.db2.gz MDVFGUKXXOAYHJ-RXVVDRJESA-N 2 1 365.481 2.818 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001111916062 1029730029 /nfs/dbraw/zinc/73/00/29/1029730029.db2.gz MDVFGUKXXOAYHJ-RXVVDRJESA-N 2 1 365.481 2.818 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001158403098 1029820339 /nfs/dbraw/zinc/82/03/39/1029820339.db2.gz AFWKHZIZTQDXAW-RBUKOAKNSA-N 2 1 361.917 2.518 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205312854 1031664522 /nfs/dbraw/zinc/66/45/22/1031664522.db2.gz GKRKUBHBBWXLFB-JRGCBEDISA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001205456297 1031761779 /nfs/dbraw/zinc/76/17/79/1031761779.db2.gz OQLWHIVTBUKIKJ-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205626068 1031882487 /nfs/dbraw/zinc/88/24/87/1031882487.db2.gz VPOFTSIHZZGGSP-SXLOBPIMSA-N 2 1 359.489 2.770 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001277031113 1034194379 /nfs/dbraw/zinc/19/43/79/1034194379.db2.gz UHJNOVBHJNQRLJ-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)cc1Cl ZINC001277031113 1034194386 /nfs/dbraw/zinc/19/43/86/1034194386.db2.gz UHJNOVBHJNQRLJ-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC001138441410 1034280444 /nfs/dbraw/zinc/28/04/44/1034280444.db2.gz OUDHKYIMFCBJMY-UHFFFAOYSA-N 2 1 373.541 2.804 20 30 FFEDMP C=C1CC=C(F)C=C1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220797283 1034403150 /nfs/dbraw/zinc/40/31/50/1034403150.db2.gz MYRFXIFKCFKHLK-GOSISDBHSA-N 2 1 353.441 2.521 20 30 FFEDMP C=C1CC=C(F)C=C1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220797283 1034403159 /nfs/dbraw/zinc/40/31/59/1034403159.db2.gz MYRFXIFKCFKHLK-GOSISDBHSA-N 2 1 353.441 2.521 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001277193296 1034985455 /nfs/dbraw/zinc/98/54/55/1034985455.db2.gz CPDPYAFSSVXQBZ-FHLIZLRMSA-N 2 1 362.543 2.725 20 30 FFEDMP COc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139254336 1035029572 /nfs/dbraw/zinc/02/95/72/1035029572.db2.gz HGAFXYWEZUAOND-UHFFFAOYSA-N 2 1 351.450 2.892 20 30 FFEDMP COc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139254336 1035029582 /nfs/dbraw/zinc/02/95/82/1035029582.db2.gz HGAFXYWEZUAOND-UHFFFAOYSA-N 2 1 351.450 2.892 20 30 FFEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)[NH+](CC)CC ZINC001221811831 1035086939 /nfs/dbraw/zinc/08/69/39/1035086939.db2.gz LVOPCCZOSKXKBY-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21)[NH+](CC)CC ZINC001221811831 1035086944 /nfs/dbraw/zinc/08/69/44/1035086944.db2.gz LVOPCCZOSKXKBY-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001229504273 1036712343 /nfs/dbraw/zinc/71/23/43/1036712343.db2.gz TTWFADSRBKTCNG-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236079239 1037920856 /nfs/dbraw/zinc/92/08/56/1037920856.db2.gz MUEVTSOQWIVUSC-XMMPIXPASA-N 2 1 359.517 2.941 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231857672 1037955934 /nfs/dbraw/zinc/95/59/34/1037955934.db2.gz MQUODOJEXBCCDK-UHFFFAOYSA-N 2 1 372.557 2.553 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208123130 1038058151 /nfs/dbraw/zinc/05/81/51/1038058151.db2.gz KDNVTGQGIWYBEV-YLJYHZDGSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610315 1038643525 /nfs/dbraw/zinc/64/35/25/1038643525.db2.gz PARZXCRXUCYCNL-RBBKRZOGSA-N 2 1 355.526 2.832 20 30 FFEDMP N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCC[NH+]4CCCCC4)C3)CC2=O)c1 ZINC001209450571 1038877091 /nfs/dbraw/zinc/87/70/91/1038877091.db2.gz NKTTXLUEDKRFLJ-JOCHJYFZSA-N 2 1 366.509 2.863 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769612 1039204519 /nfs/dbraw/zinc/20/45/19/1039204519.db2.gz PDZHNSBWCMTNJK-JTDSTZFVSA-N 2 1 353.470 2.672 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769612 1039204533 /nfs/dbraw/zinc/20/45/33/1039204533.db2.gz PDZHNSBWCMTNJK-JTDSTZFVSA-N 2 1 353.470 2.672 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246306133 1039308088 /nfs/dbraw/zinc/30/80/88/1039308088.db2.gz UKZDDUIJHOKPHY-IRXDYDNUSA-N 2 1 362.470 2.553 20 30 FFEDMP CCCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252130410 1039443127 /nfs/dbraw/zinc/44/31/27/1039443127.db2.gz PVLFSAMEHRJYMZ-FQEVSTJZSA-N 2 1 367.578 2.760 20 30 FFEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001252595028 1039604266 /nfs/dbraw/zinc/60/42/66/1039604266.db2.gz CBUSGTPUOLMTJM-BDTNDASRSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252595028 1039604277 /nfs/dbraw/zinc/60/42/77/1039604277.db2.gz CBUSGTPUOLMTJM-BDTNDASRSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001252595028 1039604284 /nfs/dbraw/zinc/60/42/84/1039604284.db2.gz CBUSGTPUOLMTJM-BDTNDASRSA-N 2 1 362.558 2.774 20 30 FFEDMP CCc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)on1 ZINC001278503476 1040212907 /nfs/dbraw/zinc/21/29/07/1040212907.db2.gz AMXHPSRJPYSDPR-UHFFFAOYSA-N 2 1 353.470 2.545 20 30 FFEDMP C[N@H+]1CCc2c(C#N)c(Nc3ccc(N4CC[NH2+]CC4)cc3)sc2C1 ZINC001213258191 1040382521 /nfs/dbraw/zinc/38/25/21/1040382521.db2.gz YJQYXYHTZHGQQB-UHFFFAOYSA-N 2 1 353.495 2.761 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454100 /nfs/dbraw/zinc/45/41/00/1040454100.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454108 /nfs/dbraw/zinc/45/41/08/1040454108.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454113 /nfs/dbraw/zinc/45/41/13/1040454113.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 2 1 363.546 2.565 20 30 FFEDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254344947 1040680788 /nfs/dbraw/zinc/68/07/88/1040680788.db2.gz JOAAHLKFRCDATR-QPIRBTGLSA-N 2 1 361.461 2.790 20 30 FFEDMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC001261435626 1041233650 /nfs/dbraw/zinc/23/36/50/1041233650.db2.gz AHGAWTYLYZKYLB-UHFFFAOYSA-N 2 1 350.466 2.999 20 30 FFEDMP C#CCN1CCC[C@@H](NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC001255362038 1041290819 /nfs/dbraw/zinc/29/08/19/1041290819.db2.gz BFWRHYZGLNPRCS-OAQYLSRUSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1 ZINC001255362038 1041290831 /nfs/dbraw/zinc/29/08/31/1041290831.db2.gz BFWRHYZGLNPRCS-OAQYLSRUSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC001255362038 1041290840 /nfs/dbraw/zinc/29/08/40/1041290840.db2.gz BFWRHYZGLNPRCS-OAQYLSRUSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CC[NH+](CC)CC3CC3)CC2)C1 ZINC001255362038 1041290849 /nfs/dbraw/zinc/29/08/49/1041290849.db2.gz BFWRHYZGLNPRCS-OAQYLSRUSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CC[NH+](CC)CC3CC3)CC2)C1 ZINC001255362038 1041290856 /nfs/dbraw/zinc/29/08/56/1041290856.db2.gz BFWRHYZGLNPRCS-OAQYLSRUSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CCN1CCC[C@H](NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC001255362034 1041291400 /nfs/dbraw/zinc/29/14/00/1041291400.db2.gz BFWRHYZGLNPRCS-NRFANRHFSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1 ZINC001255362034 1041291412 /nfs/dbraw/zinc/29/14/12/1041291412.db2.gz BFWRHYZGLNPRCS-NRFANRHFSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1 ZINC001255362034 1041291424 /nfs/dbraw/zinc/29/14/24/1041291424.db2.gz BFWRHYZGLNPRCS-NRFANRHFSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CC[NH+](CC)CC3CC3)CC2)C1 ZINC001255362034 1041291430 /nfs/dbraw/zinc/29/14/30/1041291430.db2.gz BFWRHYZGLNPRCS-NRFANRHFSA-N 2 1 374.573 2.628 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CC[NH+](CC)CC3CC3)CC2)C1 ZINC001255362034 1041291441 /nfs/dbraw/zinc/29/14/41/1041291441.db2.gz BFWRHYZGLNPRCS-NRFANRHFSA-N 2 1 374.573 2.628 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410629 1041773929 /nfs/dbraw/zinc/77/39/29/1041773929.db2.gz YJLXQQUSNKYPQS-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215774822 1041878424 /nfs/dbraw/zinc/87/84/24/1041878424.db2.gz YROVWOIQDXFLMV-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215938741 1041913197 /nfs/dbraw/zinc/91/31/97/1041913197.db2.gz LWQDVHSOUMORFJ-WOJBJXKFSA-N 2 1 367.578 2.896 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001262971017 1041998836 /nfs/dbraw/zinc/99/88/36/1041998836.db2.gz YOLJJDBZHGEBSB-QZTJIDSGSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001262971017 1041998841 /nfs/dbraw/zinc/99/88/41/1041998841.db2.gz YOLJJDBZHGEBSB-QZTJIDSGSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001262971017 1041998843 /nfs/dbraw/zinc/99/88/43/1041998843.db2.gz YOLJJDBZHGEBSB-QZTJIDSGSA-N 2 1 372.561 2.584 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001263287820 1042222777 /nfs/dbraw/zinc/22/27/77/1042222777.db2.gz VDYQVZAQMMGKHY-KRWDZBQOSA-N 2 1 371.533 2.522 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001264037044 1042590538 /nfs/dbraw/zinc/59/05/38/1042590538.db2.gz TXUNJJKGMSKYAY-HSALFYBXSA-N 2 1 361.505 2.827 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001264037044 1042590541 /nfs/dbraw/zinc/59/05/41/1042590541.db2.gz TXUNJJKGMSKYAY-HSALFYBXSA-N 2 1 361.505 2.827 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264596119 1042732497 /nfs/dbraw/zinc/73/24/97/1042732497.db2.gz IVWBBQXEGLAVHF-VAMGGRTRSA-N 2 1 361.505 2.872 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264596119 1042732501 /nfs/dbraw/zinc/73/25/01/1042732501.db2.gz IVWBBQXEGLAVHF-VAMGGRTRSA-N 2 1 361.505 2.872 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001278176348 1043483561 /nfs/dbraw/zinc/48/35/61/1043483561.db2.gz WJECFJMBTJXRKA-UHFFFAOYSA-N 2 1 354.542 2.840 20 30 FFEDMP C[NH+](C)CCN1CCCC2(CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001278176348 1043483566 /nfs/dbraw/zinc/48/35/66/1043483566.db2.gz WJECFJMBTJXRKA-UHFFFAOYSA-N 2 1 354.542 2.840 20 30 FFEDMP C=CCCCCC[N@@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001279828626 1043730012 /nfs/dbraw/zinc/73/00/12/1043730012.db2.gz BQOPXDFSOWXLJV-UHFFFAOYSA-N 2 1 360.502 2.603 20 30 FFEDMP C=CCCCCC[N@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001279828626 1043730024 /nfs/dbraw/zinc/73/00/24/1043730024.db2.gz BQOPXDFSOWXLJV-UHFFFAOYSA-N 2 1 360.502 2.603 20 30 FFEDMP C=CCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001279828870 1043730896 /nfs/dbraw/zinc/73/08/96/1043730896.db2.gz SXMUMTXONNYVBH-LJQANCHMSA-N 2 1 363.546 2.519 20 30 FFEDMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)CC2)on1 ZINC001280065591 1044158301 /nfs/dbraw/zinc/15/83/01/1044158301.db2.gz WAAUSSIEOWJLKJ-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001317377989 1045079670 /nfs/dbraw/zinc/07/96/70/1045079670.db2.gz VMDYZTNPGNUOFT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317377989 1045079684 /nfs/dbraw/zinc/07/96/84/1045079684.db2.gz VMDYZTNPGNUOFT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317377989 1045079699 /nfs/dbraw/zinc/07/96/99/1045079699.db2.gz VMDYZTNPGNUOFT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC001334080905 1049236943 /nfs/dbraw/zinc/23/69/43/1049236943.db2.gz CAPZPEQAUVGCAT-WIYYLYMNSA-N 2 1 371.525 2.723 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001298901850 1050562098 /nfs/dbraw/zinc/56/20/98/1050562098.db2.gz XDOWBOFDZYVNMM-SFTDATJTSA-N 2 1 355.526 2.702 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001298901850 1050562105 /nfs/dbraw/zinc/56/21/05/1050562105.db2.gz XDOWBOFDZYVNMM-SFTDATJTSA-N 2 1 355.526 2.702 20 30 FFEDMP C=CCn1c([C@H]2CCCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338749310 1055781868 /nfs/dbraw/zinc/78/18/68/1055781868.db2.gz MFCXXMCURLLUEX-IEBWSBKVSA-N 2 1 372.561 2.932 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC001353313113 1056287381 /nfs/dbraw/zinc/28/73/81/1056287381.db2.gz CRBSRSSYIHAUGE-IRLDBZIGSA-N 2 1 356.510 2.519 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC001353313138 1056287581 /nfs/dbraw/zinc/28/75/81/1056287581.db2.gz CRBSRSSYIHAUGE-UNMCSNQZSA-N 2 1 356.510 2.519 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001516047454 1059941016 /nfs/dbraw/zinc/94/10/16/1059941016.db2.gz PCYYXSZZEIGLAD-OALUTQOASA-N 2 1 372.561 2.728 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479624529 1062636655 /nfs/dbraw/zinc/63/66/55/1062636655.db2.gz PUEVGHJHJPLJNJ-NJYVYQBISA-N 2 1 355.526 2.570 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001479671564 1062780076 /nfs/dbraw/zinc/78/00/76/1062780076.db2.gz PXOSUHMITBPTGD-RTWAWAEBSA-N 2 1 355.526 2.517 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001479671564 1062780095 /nfs/dbraw/zinc/78/00/95/1062780095.db2.gz PXOSUHMITBPTGD-RTWAWAEBSA-N 2 1 355.526 2.517 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001479671564 1062780117 /nfs/dbraw/zinc/78/01/17/1062780117.db2.gz PXOSUHMITBPTGD-RTWAWAEBSA-N 2 1 355.526 2.517 20 30 FFEDMP C=CCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001574915496 1078092660 /nfs/dbraw/zinc/09/26/60/1078092660.db2.gz GHADBIZAKRYZST-MSOLQXFVSA-N 2 1 360.550 2.837 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666152 1065310736 /nfs/dbraw/zinc/31/07/36/1065310736.db2.gz IHESLCDUJLXJOP-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666152 1065310740 /nfs/dbraw/zinc/31/07/40/1065310740.db2.gz IHESLCDUJLXJOP-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666152 1065310745 /nfs/dbraw/zinc/31/07/45/1065310745.db2.gz IHESLCDUJLXJOP-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666152 1065310758 /nfs/dbraw/zinc/31/07/58/1065310758.db2.gz IHESLCDUJLXJOP-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP C#CC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574517815 1078007504 /nfs/dbraw/zinc/00/75/04/1078007504.db2.gz QOPYIWAKZHFZRM-IFMALSPDSA-N 2 1 353.510 2.550 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000369324104 512352048 /nfs/dbraw/zinc/35/20/48/512352048.db2.gz SDVKYADKAWZDQL-OALUTQOASA-N 2 1 362.562 2.933 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147819 508125370 /nfs/dbraw/zinc/12/53/70/508125370.db2.gz BMQAGZZYLWNRTF-JOCHJYFZSA-N 2 1 369.557 2.638 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147819 508125373 /nfs/dbraw/zinc/12/53/73/508125373.db2.gz BMQAGZZYLWNRTF-JOCHJYFZSA-N 2 1 369.557 2.638 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000106264639 508398657 /nfs/dbraw/zinc/39/86/57/508398657.db2.gz HBTGDKGLFOGEHN-OAQYLSRUSA-N 2 1 370.541 2.991 20 30 FFEDMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000122126387 508485594 /nfs/dbraw/zinc/48/55/94/508485594.db2.gz SWBDURBTRLDEJC-UHFFFAOYSA-N 2 1 372.513 2.567 20 30 FFEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000122126387 508485595 /nfs/dbraw/zinc/48/55/95/508485595.db2.gz SWBDURBTRLDEJC-UHFFFAOYSA-N 2 1 372.513 2.567 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000153007994 508539634 /nfs/dbraw/zinc/53/96/34/508539634.db2.gz BMILYQLJSKQFTM-UGKGYDQZSA-N 2 1 357.542 2.906 20 30 FFEDMP C=CCN(CC=C)C(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248389779 509286775 /nfs/dbraw/zinc/28/67/75/509286775.db2.gz BHJKOFNZNCKKRH-NGRWLJPCSA-N 2 1 355.526 2.933 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248389779 509286782 /nfs/dbraw/zinc/28/67/82/509286782.db2.gz BHJKOFNZNCKKRH-NGRWLJPCSA-N 2 1 355.526 2.933 20 30 FFEDMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1ccnc1 ZINC000245516750 509979792 /nfs/dbraw/zinc/97/97/92/509979792.db2.gz GEEFCOVHWGMFOQ-NSISKUIASA-N 2 1 363.465 2.833 20 30 FFEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)n(C)c3)CC2)cs1 ZINC000190999031 510458308 /nfs/dbraw/zinc/45/83/08/510458308.db2.gz HGEIEMUKNLDBNL-UHFFFAOYSA-N 2 1 357.527 2.917 20 30 FFEDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233840 511515662 /nfs/dbraw/zinc/51/56/62/511515662.db2.gz WAENFDBCRVRCEW-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233840 511515664 /nfs/dbraw/zinc/51/56/64/511515664.db2.gz WAENFDBCRVRCEW-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233840 511515669 /nfs/dbraw/zinc/51/56/69/511515669.db2.gz WAENFDBCRVRCEW-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233840 511515673 /nfs/dbraw/zinc/51/56/73/511515673.db2.gz WAENFDBCRVRCEW-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000370255780 512844359 /nfs/dbraw/zinc/84/43/59/512844359.db2.gz JCDPMZRAAAYKNG-SFHVURJKSA-N 2 1 369.469 2.541 20 30 FFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000370255780 512844365 /nfs/dbraw/zinc/84/43/65/512844365.db2.gz JCDPMZRAAAYKNG-SFHVURJKSA-N 2 1 369.469 2.541 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425446324 513570665 /nfs/dbraw/zinc/57/06/65/513570665.db2.gz DVLUGAMISPMICK-PZJWPPBQSA-N 2 1 368.525 2.553 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424172635 514406981 /nfs/dbraw/zinc/40/69/81/514406981.db2.gz NLPABJAYASMPLQ-XOKHGSTOSA-N 2 1 366.868 2.609 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738367 516110408 /nfs/dbraw/zinc/11/04/08/516110408.db2.gz GBCZRLLNSVXDBD-FPOVZHCZSA-N 2 1 362.562 2.812 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000516348458 517668794 /nfs/dbraw/zinc/66/87/94/517668794.db2.gz YOWDWJBPAWVHDL-HOTGVXAUSA-N 2 1 363.527 2.710 20 30 FFEDMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000546766117 517845823 /nfs/dbraw/zinc/84/58/23/517845823.db2.gz QMYDBZPJVIEROM-KRWDZBQOSA-N 2 1 353.445 2.917 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000573095847 518506537 /nfs/dbraw/zinc/50/65/37/518506537.db2.gz JYIWBRMZBNHYHV-QFIPXVFZSA-N 2 1 370.541 2.991 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878854 519943740 /nfs/dbraw/zinc/94/37/40/519943740.db2.gz ZLXYNGVFIHCCFP-GOSISDBHSA-N 2 1 354.498 2.739 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440643 519966154 /nfs/dbraw/zinc/96/61/54/519966154.db2.gz HGTPBUCSWOGKMT-YLJYHZDGSA-N 2 1 356.514 2.946 20 30 FFEDMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439866 519967421 /nfs/dbraw/zinc/96/74/21/519967421.db2.gz VOGUGJDTVZBEOB-WOJBJXKFSA-N 2 1 356.514 2.768 20 30 FFEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609137203 520203480 /nfs/dbraw/zinc/20/34/80/520203480.db2.gz RDVWWFSDBABTQQ-HXUWFJFHSA-N 2 1 359.514 2.545 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862635 521339931 /nfs/dbraw/zinc/33/99/31/521339931.db2.gz XGRSTKWYYBTVEU-GOSISDBHSA-N 2 1 363.550 2.518 20 30 FFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602504037 521384987 /nfs/dbraw/zinc/38/49/87/521384987.db2.gz REZMJIXLPVHNGZ-GOSISDBHSA-N 2 1 357.498 2.707 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000596926155 521385668 /nfs/dbraw/zinc/38/56/68/521385668.db2.gz NHZMAEQSIUYGRD-OAQYLSRUSA-N 2 1 370.541 2.635 20 30 FFEDMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C3(C#N)CCC3)cn2)c2c1CC[NH2+]C2 ZINC001164684725 719621495 /nfs/dbraw/zinc/62/14/95/719621495.db2.gz XBAURZUEALIDNN-UHFFFAOYSA-N 2 1 364.497 2.698 20 30 FFEDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C3(C#N)CCC3)cn2)c2c1CC[NH2+]C2 ZINC001164684725 719621499 /nfs/dbraw/zinc/62/14/99/719621499.db2.gz XBAURZUEALIDNN-UHFFFAOYSA-N 2 1 364.497 2.698 20 30 FFEDMP C[NH+]=C(NCc1cc(C)no1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984236 728407093 /nfs/dbraw/zinc/40/70/93/728407093.db2.gz UARGKFRLDFRIRG-YOEHRIQHSA-N 2 1 361.515 2.793 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)cc1 ZINC000104159854 728500731 /nfs/dbraw/zinc/50/07/31/728500731.db2.gz KBFNWUNSJJTCFL-AWEZNQCLSA-N 2 1 358.408 2.516 20 30 FFEDMP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000104166775 728500982 /nfs/dbraw/zinc/50/09/82/728500982.db2.gz LQFQDFWCMQQVGD-SJORKVTESA-N 2 1 351.564 2.520 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134894019 728733843 /nfs/dbraw/zinc/73/38/43/728733843.db2.gz JTVAFEFGBLUVHY-WBVHZDCISA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134894019 728733844 /nfs/dbraw/zinc/73/38/44/728733844.db2.gz JTVAFEFGBLUVHY-WBVHZDCISA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134894019 728733845 /nfs/dbraw/zinc/73/38/45/728733845.db2.gz JTVAFEFGBLUVHY-WBVHZDCISA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134894019 728733846 /nfs/dbraw/zinc/73/38/46/728733846.db2.gz JTVAFEFGBLUVHY-WBVHZDCISA-N 2 1 358.511 2.897 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CSc1ccccc1OC ZINC000303975271 729736080 /nfs/dbraw/zinc/73/60/80/729736080.db2.gz IZZKZAWKOVNLOQ-HOTGVXAUSA-N 2 1 364.559 2.812 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900973 732294825 /nfs/dbraw/zinc/29/48/25/732294825.db2.gz VVANWFZWNMGNRW-FHWLQOOXSA-N 2 1 361.917 2.969 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000815652659 741950472 /nfs/dbraw/zinc/95/04/72/741950472.db2.gz MAAIFBHLDCXKFX-AWEZNQCLSA-N 2 1 366.303 2.711 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000815652659 741950473 /nfs/dbraw/zinc/95/04/73/741950473.db2.gz MAAIFBHLDCXKFX-AWEZNQCLSA-N 2 1 366.303 2.711 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000852859672 749965940 /nfs/dbraw/zinc/96/59/40/749965940.db2.gz ZCLFQSPYNQUURJ-IBGZPJMESA-N 2 1 359.901 2.596 20 30 FFEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083417 972354419 /nfs/dbraw/zinc/35/44/19/972354419.db2.gz YDPCKUWWNMLQCX-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083417 972354428 /nfs/dbraw/zinc/35/44/28/972354428.db2.gz YDPCKUWWNMLQCX-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083417 972354434 /nfs/dbraw/zinc/35/44/34/972354434.db2.gz YDPCKUWWNMLQCX-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347369 963699359 /nfs/dbraw/zinc/69/93/59/963699359.db2.gz WZYNGSAXUFIGDB-UAFMIMERSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347369 963699367 /nfs/dbraw/zinc/69/93/67/963699367.db2.gz WZYNGSAXUFIGDB-UAFMIMERSA-N 2 1 365.562 2.526 20 30 FFEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2C#N)C1 ZINC001087212445 966577627 /nfs/dbraw/zinc/57/76/27/966577627.db2.gz BXHONFYOSYIXSA-OPYAIIAOSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087212768 966579801 /nfs/dbraw/zinc/57/98/01/966579801.db2.gz PIPHHAMPZATBPG-LQWHRVPQSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075453920 966845511 /nfs/dbraw/zinc/84/55/11/966845511.db2.gz GDCATMSJUNEZQJ-SVFBPWRDSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075453920 966845514 /nfs/dbraw/zinc/84/55/14/966845514.db2.gz GDCATMSJUNEZQJ-SVFBPWRDSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075453920 966845516 /nfs/dbraw/zinc/84/55/16/966845516.db2.gz GDCATMSJUNEZQJ-SVFBPWRDSA-N 2 1 359.558 2.691 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518298 968516035 /nfs/dbraw/zinc/51/60/35/968516035.db2.gz BOFDJSAHOHMQNJ-WFXMLNOXSA-N 2 1 356.514 2.548 20 30 FFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681960 970094128 /nfs/dbraw/zinc/09/41/28/970094128.db2.gz UUBFELZFHXAESL-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1CO ZINC000892845786 970327334 /nfs/dbraw/zinc/32/73/34/970327334.db2.gz HCAIABJMZICCNK-UHFFFAOYSA-N 2 1 370.541 2.683 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811218 976654386 /nfs/dbraw/zinc/65/43/86/976654386.db2.gz RGJCJSXYYIAUBG-FCEUIQTBSA-N 2 1 367.537 2.739 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811218 976654391 /nfs/dbraw/zinc/65/43/91/976654391.db2.gz RGJCJSXYYIAUBG-FCEUIQTBSA-N 2 1 367.537 2.739 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811218 976654396 /nfs/dbraw/zinc/65/43/96/976654396.db2.gz RGJCJSXYYIAUBG-FCEUIQTBSA-N 2 1 367.537 2.739 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811218 976654401 /nfs/dbraw/zinc/65/44/01/976654401.db2.gz RGJCJSXYYIAUBG-FCEUIQTBSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876726063 1014367043 /nfs/dbraw/zinc/36/70/43/1014367043.db2.gz UWISHAJPMKSOLS-LLGFUMIMSA-N 2 1 368.525 2.619 20 30 FFEDMP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001087444063 977597593 /nfs/dbraw/zinc/59/75/93/977597593.db2.gz VPUJFMARTOSCMT-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP C=CCCC[C@H](N)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000904673732 980325508 /nfs/dbraw/zinc/32/55/08/980325508.db2.gz QFDHWPOCHSVJPJ-INIZCTEOSA-N 2 1 356.474 2.630 20 30 FFEDMP C=CCCC[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000904673732 980325516 /nfs/dbraw/zinc/32/55/16/980325516.db2.gz QFDHWPOCHSVJPJ-INIZCTEOSA-N 2 1 356.474 2.630 20 30 FFEDMP C=CCCC[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000904673732 980325523 /nfs/dbraw/zinc/32/55/23/980325523.db2.gz QFDHWPOCHSVJPJ-INIZCTEOSA-N 2 1 356.474 2.630 20 30 FFEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539941 982397555 /nfs/dbraw/zinc/39/75/55/982397555.db2.gz TXWFSOVDRNLXAR-XUVXKRRUSA-N 2 1 359.558 2.881 20 30 FFEDMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107522528 984622767 /nfs/dbraw/zinc/62/27/67/984622767.db2.gz GPGKAOULIXILEF-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1C#N)CC2 ZINC001107598742 984777348 /nfs/dbraw/zinc/77/73/48/984777348.db2.gz VELPQKZWEKDVQM-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001107598742 984777354 /nfs/dbraw/zinc/77/73/54/984777354.db2.gz VELPQKZWEKDVQM-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001107598742 984777358 /nfs/dbraw/zinc/77/73/58/984777358.db2.gz VELPQKZWEKDVQM-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652059 984929979 /nfs/dbraw/zinc/92/99/79/984929979.db2.gz YSIPHRGXPIXXIC-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652059 984929983 /nfs/dbraw/zinc/92/99/83/984929983.db2.gz YSIPHRGXPIXXIC-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652059 984929989 /nfs/dbraw/zinc/92/99/89/984929989.db2.gz YSIPHRGXPIXXIC-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107652059 984929993 /nfs/dbraw/zinc/92/99/93/984929993.db2.gz YSIPHRGXPIXXIC-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000997792489 985747660 /nfs/dbraw/zinc/74/76/60/985747660.db2.gz HFHVLGQIFKZYEY-LEWJYISDSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059395 986140094 /nfs/dbraw/zinc/14/00/94/986140094.db2.gz KKBVKUILVNBSEB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059395 986140098 /nfs/dbraw/zinc/14/00/98/986140098.db2.gz KKBVKUILVNBSEB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059395 986140101 /nfs/dbraw/zinc/14/01/01/986140101.db2.gz KKBVKUILVNBSEB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059395 986140103 /nfs/dbraw/zinc/14/01/03/986140103.db2.gz KKBVKUILVNBSEB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C#N)c(OC)c3)C2)[C@@H]1C(C)C ZINC000922394319 988557052 /nfs/dbraw/zinc/55/70/52/988557052.db2.gz QHILYVCCYNTAGQ-RMVXJAJNSA-N 2 1 357.498 2.526 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665749 988608286 /nfs/dbraw/zinc/60/82/86/988608286.db2.gz AOGUXTURSYEBRH-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000923382527 991105703 /nfs/dbraw/zinc/10/57/03/991105703.db2.gz CHNJTXZDYYAAJE-IEBWSBKVSA-N 2 1 374.525 2.627 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC[C@H]1c1ccc(F)cc1 ZINC001079162532 991868749 /nfs/dbraw/zinc/86/87/49/991868749.db2.gz OVPJCNPRKVPRIZ-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079295218 991982007 /nfs/dbraw/zinc/98/20/07/991982007.db2.gz VOHNQVWWPSEGGK-SXLOBPIMSA-N 2 1 359.489 2.769 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079849193 992529149 /nfs/dbraw/zinc/52/91/49/992529149.db2.gz PJOBZWXNPPQOLF-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079849193 992529161 /nfs/dbraw/zinc/52/91/61/992529161.db2.gz PJOBZWXNPPQOLF-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079849193 992529170 /nfs/dbraw/zinc/52/91/70/992529170.db2.gz PJOBZWXNPPQOLF-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001081125494 993686133 /nfs/dbraw/zinc/68/61/33/993686133.db2.gz CKXBWFVYDBIETB-QHAWAJNXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001131564385 994404689 /nfs/dbraw/zinc/40/46/89/994404689.db2.gz KVQKPTNEZDHEST-QUCCMNQESA-N 2 1 365.562 2.526 20 30 FFEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042249 1015928761 /nfs/dbraw/zinc/92/87/61/1015928761.db2.gz SOWZYOUZFQRKLK-DUXKGJEZSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042249 1015928772 /nfs/dbraw/zinc/92/87/72/1015928772.db2.gz SOWZYOUZFQRKLK-DUXKGJEZSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042249 1015928780 /nfs/dbraw/zinc/92/87/80/1015928780.db2.gz SOWZYOUZFQRKLK-DUXKGJEZSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001082755422 995417853 /nfs/dbraw/zinc/41/78/53/995417853.db2.gz FKTAFWJLXLJTKV-DQEVTTJGSA-N 2 1 361.917 2.521 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107878 996858740 /nfs/dbraw/zinc/85/87/40/996858740.db2.gz YJXPLNZVCHJCNE-ZRNYENFQSA-N 2 1 365.562 2.647 20 30 FFEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001144572021 998660986 /nfs/dbraw/zinc/66/09/86/998660986.db2.gz MXMCMWALAFFNLO-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001144572021 998660990 /nfs/dbraw/zinc/66/09/90/998660990.db2.gz MXMCMWALAFFNLO-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032974 998733350 /nfs/dbraw/zinc/73/33/50/998733350.db2.gz LFTXBVKVOFEXHX-JTDSTZFVSA-N 2 1 371.928 2.874 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032974 998733356 /nfs/dbraw/zinc/73/33/56/998733356.db2.gz LFTXBVKVOFEXHX-JTDSTZFVSA-N 2 1 371.928 2.874 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032974 998733361 /nfs/dbraw/zinc/73/33/61/998733361.db2.gz LFTXBVKVOFEXHX-JTDSTZFVSA-N 2 1 371.928 2.874 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032974 998733377 /nfs/dbraw/zinc/73/33/77/998733377.db2.gz LFTXBVKVOFEXHX-JTDSTZFVSA-N 2 1 371.928 2.874 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC4=CCCCC4)[C@H]3C2)CC1 ZINC001085100575 998945814 /nfs/dbraw/zinc/94/58/14/998945814.db2.gz OCJGITWMVNMZLN-IRLDBZIGSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C)c2)CC1 ZINC001096605612 1016342978 /nfs/dbraw/zinc/34/29/78/1016342978.db2.gz XCHKQCXGPJQQLL-FSSWDIPSSA-N 2 1 365.521 2.562 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001096607828 1016347953 /nfs/dbraw/zinc/34/79/53/1016347953.db2.gz JWUSFGBHSMQWAG-HKBOAZHASA-N 2 1 357.542 2.633 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596748 1002629946 /nfs/dbraw/zinc/62/99/46/1002629946.db2.gz QTYLFFMLCYTVKM-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596748 1002629952 /nfs/dbraw/zinc/62/99/52/1002629952.db2.gz QTYLFFMLCYTVKM-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596748 1002629958 /nfs/dbraw/zinc/62/99/58/1002629958.db2.gz QTYLFFMLCYTVKM-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086596748 1002629968 /nfs/dbraw/zinc/62/99/68/1002629968.db2.gz QTYLFFMLCYTVKM-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001186203979 1003221233 /nfs/dbraw/zinc/22/12/33/1003221233.db2.gz WXOVHULHSRGQMN-UYAOXDASSA-N 2 1 359.489 2.629 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001092689974 1003492032 /nfs/dbraw/zinc/49/20/32/1003492032.db2.gz VYIGESCADQGGPY-SJBKTWHCSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001092689974 1003492037 /nfs/dbraw/zinc/49/20/37/1003492037.db2.gz VYIGESCADQGGPY-SJBKTWHCSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1C ZINC001092689974 1003492042 /nfs/dbraw/zinc/49/20/42/1003492042.db2.gz VYIGESCADQGGPY-SJBKTWHCSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1C ZINC001092689974 1003492047 /nfs/dbraw/zinc/49/20/47/1003492047.db2.gz VYIGESCADQGGPY-SJBKTWHCSA-N 2 1 367.537 2.585 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086618199 1003517115 /nfs/dbraw/zinc/51/71/15/1003517115.db2.gz WTMNOBQTDALAMG-LEWJYISDSA-N 2 1 355.526 2.877 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652704 1006740569 /nfs/dbraw/zinc/74/05/69/1006740569.db2.gz NVGHDKFEGYPDQM-ZWKOTPCHSA-N 2 1 367.493 2.529 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652704 1006740575 /nfs/dbraw/zinc/74/05/75/1006740575.db2.gz NVGHDKFEGYPDQM-ZWKOTPCHSA-N 2 1 367.493 2.529 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092986239 1009543273 /nfs/dbraw/zinc/54/32/73/1009543273.db2.gz SLTVVFQGVBYFAV-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092986239 1009543251 /nfs/dbraw/zinc/54/32/51/1009543251.db2.gz SLTVVFQGVBYFAV-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092986239 1009543263 /nfs/dbraw/zinc/54/32/63/1009543263.db2.gz SLTVVFQGVBYFAV-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497519 1011159006 /nfs/dbraw/zinc/15/90/06/1011159006.db2.gz BRSFPOUBMHTOSG-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497519 1011159009 /nfs/dbraw/zinc/15/90/09/1011159009.db2.gz BRSFPOUBMHTOSG-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC001094548158 1011197129 /nfs/dbraw/zinc/19/71/29/1011197129.db2.gz QPCIOSCTINQBNK-TZIWHRDSSA-N 2 1 365.481 2.818 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC001094548158 1011197131 /nfs/dbraw/zinc/19/71/31/1011197131.db2.gz QPCIOSCTINQBNK-TZIWHRDSSA-N 2 1 365.481 2.818 20 30 FFEDMP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001274487317 1011466250 /nfs/dbraw/zinc/46/62/50/1011466250.db2.gz OOVZXCRDQJKNCA-RTBURBONSA-N 2 1 364.493 2.849 20 30 FFEDMP C[C@H]1CC2(C[NH+]1CC#CC[N@@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646095828 1011740488 /nfs/dbraw/zinc/74/04/88/1011740488.db2.gz ASDSXJSXHUMTCD-PMACEKPBSA-N 2 1 360.542 2.772 20 30 FFEDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990818 1012129432 /nfs/dbraw/zinc/12/94/32/1012129432.db2.gz RQIDRAJRXBYVMC-MHORFTMASA-N 2 1 362.518 2.552 20 30 FFEDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990818 1012129440 /nfs/dbraw/zinc/12/94/40/1012129440.db2.gz RQIDRAJRXBYVMC-MHORFTMASA-N 2 1 362.518 2.552 20 30 FFEDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990818 1012129446 /nfs/dbraw/zinc/12/94/46/1012129446.db2.gz RQIDRAJRXBYVMC-MHORFTMASA-N 2 1 362.518 2.552 20 30 FFEDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986234 1012153759 /nfs/dbraw/zinc/15/37/59/1012153759.db2.gz VIJCINFTVDKZER-SJORKVTESA-N 2 1 350.507 2.552 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097177710 1017152648 /nfs/dbraw/zinc/15/26/48/1017152648.db2.gz YZYLHLIURBVSKS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097177710 1017152655 /nfs/dbraw/zinc/15/26/55/1017152655.db2.gz YZYLHLIURBVSKS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001097177710 1017152662 /nfs/dbraw/zinc/15/26/62/1017152662.db2.gz YZYLHLIURBVSKS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001097177710 1017152667 /nfs/dbraw/zinc/15/26/67/1017152667.db2.gz YZYLHLIURBVSKS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001111455346 1017948335 /nfs/dbraw/zinc/94/83/35/1017948335.db2.gz ZOZFBMYFFXGFBU-KCLUMXDGSA-N 2 1 359.558 2.735 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001045440144 1019968376 /nfs/dbraw/zinc/96/83/76/1019968376.db2.gz HPRGYKZBEVQFFS-LEWJYISDSA-N 2 1 367.537 2.739 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C)c2)CC1 ZINC001098461344 1020929522 /nfs/dbraw/zinc/92/95/22/1020929522.db2.gz XCHKQCXGPJQQLL-VSKRKVRLSA-N 2 1 365.521 2.562 20 30 FFEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001098461790 1020929582 /nfs/dbraw/zinc/92/95/82/1020929582.db2.gz PIEMXMGGRCWDPC-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001098461790 1020929588 /nfs/dbraw/zinc/92/95/88/1020929588.db2.gz PIEMXMGGRCWDPC-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001098461790 1020929592 /nfs/dbraw/zinc/92/95/92/1020929592.db2.gz PIEMXMGGRCWDPC-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001098461790 1020929598 /nfs/dbraw/zinc/92/95/98/1020929598.db2.gz PIEMXMGGRCWDPC-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC(C)CC2)CC1 ZINC001098462943 1020931152 /nfs/dbraw/zinc/93/11/52/1020931152.db2.gz VVYLKCOXEQMSFV-UPJCBYLFSA-N 2 1 371.569 2.879 20 30 FFEDMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C[NH2+]C[C@H]2C#N)cc13 ZINC001218200097 1033046609 /nfs/dbraw/zinc/04/66/09/1033046609.db2.gz DYSIVKYYAFHKLS-HTFPWXHTSA-N 2 1 351.494 2.865 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000752102585 1023063778 /nfs/dbraw/zinc/06/37/78/1023063778.db2.gz LXBAUGBTVPSMMI-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000752102585 1023063782 /nfs/dbraw/zinc/06/37/82/1023063782.db2.gz LXBAUGBTVPSMMI-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000752102585 1023063787 /nfs/dbraw/zinc/06/37/87/1023063787.db2.gz LXBAUGBTVPSMMI-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000752102585 1023063791 /nfs/dbraw/zinc/06/37/91/1023063791.db2.gz LXBAUGBTVPSMMI-MBDNFAEBSA-N 2 1 365.521 2.501 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331216 1023195721 /nfs/dbraw/zinc/19/57/21/1023195721.db2.gz JWPXDHPQUNHSOU-MHTWAQMVSA-N 2 1 368.525 2.815 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331214 1023195998 /nfs/dbraw/zinc/19/59/98/1023195998.db2.gz JWPXDHPQUNHSOU-IVAOSVALSA-N 2 1 368.525 2.815 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2N2CC[NH2+]CC2)C1 ZINC001218337264 1033113248 /nfs/dbraw/zinc/11/32/48/1033113248.db2.gz RBYBIKCUTJQJDI-HXUWFJFHSA-N 2 1 362.477 2.621 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001111304088 1023707314 /nfs/dbraw/zinc/70/73/14/1023707314.db2.gz PREYDQJSUVMOFI-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001111304088 1023707322 /nfs/dbraw/zinc/70/73/22/1023707322.db2.gz PREYDQJSUVMOFI-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111304088 1023707326 /nfs/dbraw/zinc/70/73/26/1023707326.db2.gz PREYDQJSUVMOFI-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000757776894 1023858965 /nfs/dbraw/zinc/85/89/65/1023858965.db2.gz CVUNPUGDFYJTLZ-NHCUHLMSSA-N 2 1 370.541 2.809 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366646 1024556405 /nfs/dbraw/zinc/55/64/05/1024556405.db2.gz DIHXLDHGSBDLHF-IRLDBZIGSA-N 2 1 355.526 2.517 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366646 1024556412 /nfs/dbraw/zinc/55/64/12/1024556412.db2.gz DIHXLDHGSBDLHF-IRLDBZIGSA-N 2 1 355.526 2.517 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366646 1024556414 /nfs/dbraw/zinc/55/64/14/1024556414.db2.gz DIHXLDHGSBDLHF-IRLDBZIGSA-N 2 1 355.526 2.517 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059411 1025378545 /nfs/dbraw/zinc/37/85/45/1025378545.db2.gz NZZGKVHLFAMTFH-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059411 1025378562 /nfs/dbraw/zinc/37/85/62/1025378562.db2.gz NZZGKVHLFAMTFH-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059411 1025378575 /nfs/dbraw/zinc/37/85/75/1025378575.db2.gz NZZGKVHLFAMTFH-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157753 1025507589 /nfs/dbraw/zinc/50/75/89/1025507589.db2.gz PATMEQHFQIGSRV-KZNAEPCWSA-N 2 1 358.530 2.801 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157753 1025507600 /nfs/dbraw/zinc/50/76/00/1025507600.db2.gz PATMEQHFQIGSRV-KZNAEPCWSA-N 2 1 358.530 2.801 20 30 FFEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](CC)CC ZINC001102356550 1025797319 /nfs/dbraw/zinc/79/73/19/1025797319.db2.gz OVVIVMKBRQBEAI-DUXKGJEZSA-N 2 1 370.541 2.863 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000840085774 1026949603 /nfs/dbraw/zinc/94/96/03/1026949603.db2.gz HMRQAXGDNRLMCN-HXUWFJFHSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000840085774 1026949607 /nfs/dbraw/zinc/94/96/07/1026949607.db2.gz HMRQAXGDNRLMCN-HXUWFJFHSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000840085774 1026949614 /nfs/dbraw/zinc/94/96/14/1026949614.db2.gz HMRQAXGDNRLMCN-HXUWFJFHSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000840085774 1026949619 /nfs/dbraw/zinc/94/96/19/1026949619.db2.gz HMRQAXGDNRLMCN-HXUWFJFHSA-N 2 1 350.470 2.500 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148038 1027004444 /nfs/dbraw/zinc/00/44/44/1027004444.db2.gz LLJVYSRZCNJNJO-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148038 1027004450 /nfs/dbraw/zinc/00/44/50/1027004450.db2.gz LLJVYSRZCNJNJO-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148038 1027004457 /nfs/dbraw/zinc/00/44/57/1027004457.db2.gz LLJVYSRZCNJNJO-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437420 1027486078 /nfs/dbraw/zinc/48/60/78/1027486078.db2.gz YHNSKDMPNJHCRK-XOKHGSTOSA-N 2 1 364.921 2.581 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437420 1027486087 /nfs/dbraw/zinc/48/60/87/1027486087.db2.gz YHNSKDMPNJHCRK-XOKHGSTOSA-N 2 1 364.921 2.581 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](Cc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001160175433 1027622186 /nfs/dbraw/zinc/62/21/86/1027622186.db2.gz RGCDBVCGEBVDJT-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001160175433 1027622192 /nfs/dbraw/zinc/62/21/92/1027622192.db2.gz RGCDBVCGEBVDJT-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001160175433 1027622199 /nfs/dbraw/zinc/62/21/99/1027622199.db2.gz RGCDBVCGEBVDJT-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001160175433 1027622204 /nfs/dbraw/zinc/62/22/04/1027622204.db2.gz RGCDBVCGEBVDJT-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654879 1027897943 /nfs/dbraw/zinc/89/79/43/1027897943.db2.gz GYPCSSKEDADETI-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001103751688 1028137636 /nfs/dbraw/zinc/13/76/36/1028137636.db2.gz MHSOIFFHPBKAIS-TZIWHRDSSA-N 2 1 361.574 2.842 20 30 FFEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)(COC)CC1 ZINC001162275424 1028487618 /nfs/dbraw/zinc/48/76/18/1028487618.db2.gz PWEQCPYEVLFYEC-RBUKOAKNSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112111379 1030030258 /nfs/dbraw/zinc/03/02/58/1030030258.db2.gz SXKSWGHENNVZSF-OAGGEKHMSA-N 2 1 361.452 2.806 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205313024 1031665173 /nfs/dbraw/zinc/66/51/73/1031665173.db2.gz NTBXIWTYGNLJBB-JRGCBEDISA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cccc(F)c1 ZINC001205419835 1031732023 /nfs/dbraw/zinc/73/20/23/1031732023.db2.gz ZXYCDGNJCPDWCA-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456182 1031759660 /nfs/dbraw/zinc/75/96/60/1031759660.db2.gz JRJRNEJFXWBSCG-YSIASYRMSA-N 2 1 359.489 2.628 20 30 FFEDMP C[N@H+](Cc1ccccc1)C1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799492811 1031785582 /nfs/dbraw/zinc/78/55/82/1031785582.db2.gz XXWKJEANIOVOIK-UHFFFAOYSA-N 2 1 358.530 2.729 20 30 FFEDMP C[N@@H+](Cc1ccccc1)C1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799492811 1031785598 /nfs/dbraw/zinc/78/55/98/1031785598.db2.gz XXWKJEANIOVOIK-UHFFFAOYSA-N 2 1 358.530 2.729 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001205625868 1031882051 /nfs/dbraw/zinc/88/20/51/1031882051.db2.gz SHQVSNCNXBLFPM-HFSMHLIXSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1F ZINC001205685649 1031933576 /nfs/dbraw/zinc/93/35/76/1031933576.db2.gz BJQLNZOVJQKLIX-AZUAARDMSA-N 2 1 370.472 2.881 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219722041 1033785638 /nfs/dbraw/zinc/78/56/38/1033785638.db2.gz OKIGZIKMGLGSRU-SJORKVTESA-N 2 1 367.559 2.555 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221895099 1035140922 /nfs/dbraw/zinc/14/09/22/1035140922.db2.gz VKKDEZBOOQSXRL-SQGPQFPESA-N 2 1 365.481 2.768 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221895099 1035140925 /nfs/dbraw/zinc/14/09/25/1035140925.db2.gz VKKDEZBOOQSXRL-SQGPQFPESA-N 2 1 365.481 2.768 20 30 FFEDMP N#Cc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c[nH]c21 ZINC001139701282 1035201868 /nfs/dbraw/zinc/20/18/68/1035201868.db2.gz KKJKEPGDYVVXHB-UHFFFAOYSA-N 2 1 374.492 2.890 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277487880 1037475836 /nfs/dbraw/zinc/47/58/36/1037475836.db2.gz RVQPMXAJIRRVAV-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001277487880 1037475842 /nfs/dbraw/zinc/47/58/42/1037475842.db2.gz RVQPMXAJIRRVAV-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(CCOC)C3)c1 ZINC001231622231 1037744271 /nfs/dbraw/zinc/74/42/71/1037744271.db2.gz TZHRJDUMNCINNZ-JOCHJYFZSA-N 2 1 374.525 2.812 20 30 FFEDMP C#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001231657829 1037783380 /nfs/dbraw/zinc/78/33/80/1037783380.db2.gz VGBWUYOMFBWRNS-FGZHOGPDSA-N 2 1 365.521 2.575 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CC1 ZINC001208175275 1038111226 /nfs/dbraw/zinc/11/12/26/1038111226.db2.gz RIYICKRSOXXKLU-CGXNFDGLSA-N 2 1 355.530 2.975 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CC1 ZINC001208175275 1038111228 /nfs/dbraw/zinc/11/12/28/1038111228.db2.gz RIYICKRSOXXKLU-CGXNFDGLSA-N 2 1 355.530 2.975 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CC1 ZINC001208175275 1038111233 /nfs/dbraw/zinc/11/12/33/1038111233.db2.gz RIYICKRSOXXKLU-CGXNFDGLSA-N 2 1 355.530 2.975 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CC1 ZINC001208175275 1038111236 /nfs/dbraw/zinc/11/12/36/1038111236.db2.gz RIYICKRSOXXKLU-CGXNFDGLSA-N 2 1 355.530 2.975 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)s1 ZINC001278925989 1038466880 /nfs/dbraw/zinc/46/68/80/1038466880.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 3 1 355.511 2.660 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)s1 ZINC001278925989 1038466884 /nfs/dbraw/zinc/46/68/84/1038466884.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 2 1 355.511 2.660 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)s1 ZINC001278925989 1038466889 /nfs/dbraw/zinc/46/68/89/1038466889.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 2 1 355.511 2.660 20 30 FFEDMP C=CCCCCCC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001209437884 1038869176 /nfs/dbraw/zinc/86/91/76/1038869176.db2.gz XPAQZFXFLSFFGX-UHFFFAOYSA-N 2 1 365.562 2.626 20 30 FFEDMP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246305476 1039307933 /nfs/dbraw/zinc/30/79/33/1039307933.db2.gz HYQMJCWUASMYAE-SFTDATJTSA-N 2 1 373.541 2.858 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246305476 1039307955 /nfs/dbraw/zinc/30/79/55/1039307955.db2.gz HYQMJCWUASMYAE-SFTDATJTSA-N 3 1 373.541 2.858 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246305476 1039307968 /nfs/dbraw/zinc/30/79/68/1039307968.db2.gz HYQMJCWUASMYAE-SFTDATJTSA-N 3 1 373.541 2.858 20 30 FFEDMP C=CCOC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1 ZINC001210269124 1039459039 /nfs/dbraw/zinc/45/90/39/1039459039.db2.gz NWUCVSVENODLMF-UHFFFAOYSA-N 2 1 356.401 2.717 20 30 FFEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001252464241 1039546914 /nfs/dbraw/zinc/54/69/14/1039546914.db2.gz WQOPHLGBWUKWDS-FQEVSTJZSA-N 2 1 374.525 2.547 20 30 FFEDMP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3C#N)CC2)C1 ZINC001278750262 1040458200 /nfs/dbraw/zinc/45/82/00/1040458200.db2.gz XHPUFXMHFXTQPH-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3C#N)CC2)C1 ZINC001278750262 1040458207 /nfs/dbraw/zinc/45/82/07/1040458207.db2.gz XHPUFXMHFXTQPH-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP C[N@H+]1CCCN(CC[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254347143 1040681225 /nfs/dbraw/zinc/68/12/25/1040681225.db2.gz CPCADRASLKWUOH-UHFFFAOYSA-N 2 1 358.505 2.757 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162299 1041683651 /nfs/dbraw/zinc/68/36/51/1041683651.db2.gz NJUDMQKQABBKOB-IEBWSBKVSA-N 2 1 358.530 2.945 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001263999872 1042573797 /nfs/dbraw/zinc/57/37/97/1042573797.db2.gz VTLNZUVJHSCQKF-KPFFTGBYSA-N 2 1 358.530 2.937 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001264001610 1042574766 /nfs/dbraw/zinc/57/47/66/1042574766.db2.gz AOSCUUWGYXRAKC-UWVAXJGDSA-N 2 1 353.526 2.992 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001264592835 1042730991 /nfs/dbraw/zinc/73/09/91/1042730991.db2.gz UJMLBWSQVIBFMD-FGZHOGPDSA-N 2 1 367.537 2.860 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290255 1044301502 /nfs/dbraw/zinc/30/15/02/1044301502.db2.gz AZGBTDBUUHNGMN-LEWJYISDSA-N 2 1 370.541 2.856 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290255 1044301512 /nfs/dbraw/zinc/30/15/12/1044301512.db2.gz AZGBTDBUUHNGMN-LEWJYISDSA-N 2 1 370.541 2.856 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001316722392 1044838547 /nfs/dbraw/zinc/83/85/47/1044838547.db2.gz MMTXFNJRENEHBZ-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316722392 1044838562 /nfs/dbraw/zinc/83/85/62/1044838562.db2.gz MMTXFNJRENEHBZ-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316722392 1044838584 /nfs/dbraw/zinc/83/85/84/1044838584.db2.gz MMTXFNJRENEHBZ-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316722392 1044838601 /nfs/dbraw/zinc/83/86/01/1044838601.db2.gz MMTXFNJRENEHBZ-NHCUHLMSSA-N 2 1 355.526 2.716 20 30 FFEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001319038819 1044998759 /nfs/dbraw/zinc/99/87/59/1044998759.db2.gz UPAFWFJAJLESNT-RTWAWAEBSA-N 2 1 355.526 2.736 20 30 FFEDMP C#CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)CC1CC1 ZINC001341068048 1051409240 /nfs/dbraw/zinc/40/92/40/1051409240.db2.gz ZEBCDMSRBJDJTO-UHFFFAOYSA-N 2 1 357.523 2.519 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001100154985 1055839913 /nfs/dbraw/zinc/83/99/13/1055839913.db2.gz OXRGBFSOPHURAI-HBMCJLEFSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001501232625 1058649830 /nfs/dbraw/zinc/64/98/30/1058649830.db2.gz LDADKUGLZKMYLJ-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001501232625 1058649835 /nfs/dbraw/zinc/64/98/35/1058649835.db2.gz LDADKUGLZKMYLJ-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001501232625 1058649842 /nfs/dbraw/zinc/64/98/42/1058649842.db2.gz LDADKUGLZKMYLJ-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001515823524 1059818268 /nfs/dbraw/zinc/81/82/68/1059818268.db2.gz PCYYXSZZEIGLAD-RTBURBONSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@H]2C1 ZINC001479673561 1062792511 /nfs/dbraw/zinc/79/25/11/1062792511.db2.gz DSCNAWIVIYOEHZ-URVUXULASA-N 2 1 359.558 2.999 20 30 FFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@H]2C1 ZINC001479673561 1062792528 /nfs/dbraw/zinc/79/25/28/1062792528.db2.gz DSCNAWIVIYOEHZ-URVUXULASA-N 2 1 359.558 2.999 20 30 FFEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@H]2C1 ZINC001479673561 1062792545 /nfs/dbraw/zinc/79/25/45/1062792545.db2.gz DSCNAWIVIYOEHZ-URVUXULASA-N 2 1 359.558 2.999 20 30 FFEDMP C=CC1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001574881759 1078090233 /nfs/dbraw/zinc/09/02/33/1078090233.db2.gz QEIMYXYBWLXMHB-WMZOPIPTSA-N 2 1 358.534 2.589 20 30 FFEDMP C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001575912404 1078177193 /nfs/dbraw/zinc/17/71/93/1078177193.db2.gz ASTLVKKILUEYRQ-ULQDDVLXSA-N 2 1 373.549 2.561 20 30 FFEDMP Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1Cl ZINC001579618937 1078651061 /nfs/dbraw/zinc/65/10/61/1078651061.db2.gz XZHUIFZYFJFPAQ-HZPDHXFCSA-N 2 1 362.905 2.812 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001565883414 1076778160 /nfs/dbraw/zinc/77/81/60/1076778160.db2.gz KJNFXFVFWNPTAQ-FCHUYYIVSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001565883414 1076778165 /nfs/dbraw/zinc/77/81/65/1076778165.db2.gz KJNFXFVFWNPTAQ-FCHUYYIVSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001565883414 1076778172 /nfs/dbraw/zinc/77/81/72/1076778172.db2.gz KJNFXFVFWNPTAQ-FCHUYYIVSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001565883414 1076778176 /nfs/dbraw/zinc/77/81/76/1076778176.db2.gz KJNFXFVFWNPTAQ-FCHUYYIVSA-N 2 1 367.537 2.858 20 30 FFEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001566021871 1076856499 /nfs/dbraw/zinc/85/64/99/1076856499.db2.gz SZGYLPLONUOJEJ-PKOBYXMFSA-N 2 1 360.502 2.819 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001566021871 1076856503 /nfs/dbraw/zinc/85/65/03/1076856503.db2.gz SZGYLPLONUOJEJ-PKOBYXMFSA-N 2 1 360.502 2.819 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(SCC#N)c1 ZINC000079539053 507972892 /nfs/dbraw/zinc/97/28/92/507972892.db2.gz IWLWZSABUIOAID-GOSISDBHSA-N 2 1 374.554 2.790 20 30 FFEDMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000114455275 508315307 /nfs/dbraw/zinc/31/53/07/508315307.db2.gz KUQJCYYLRFFZGH-UHFFFAOYSA-N 2 1 356.514 2.759 20 30 FFEDMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000114455330 508315829 /nfs/dbraw/zinc/31/58/29/508315829.db2.gz NNPHHUZEWPXOFX-QGZVFWFLSA-N 2 1 356.514 2.930 20 30 FFEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152392761 508436946 /nfs/dbraw/zinc/43/69/46/508436946.db2.gz QXYABVQQZGPDNZ-UONOGXRCSA-N 2 1 360.527 2.709 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000157588869 508584946 /nfs/dbraw/zinc/58/49/46/508584946.db2.gz FJXKMSMPSADZPE-IBGZPJMESA-N 2 1 359.558 2.835 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158732745 508745682 /nfs/dbraw/zinc/74/56/82/508745682.db2.gz GMUZUMHQYKCUHV-CTNGQTDRSA-N 2 1 368.525 2.966 20 30 FFEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000131781518 508969465 /nfs/dbraw/zinc/96/94/65/508969465.db2.gz SEJXSUNBWIGPNM-UYAOXDASSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000131781518 508969470 /nfs/dbraw/zinc/96/94/70/508969470.db2.gz SEJXSUNBWIGPNM-UYAOXDASSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131781518 508969473 /nfs/dbraw/zinc/96/94/73/508969473.db2.gz SEJXSUNBWIGPNM-UYAOXDASSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131781518 508969477 /nfs/dbraw/zinc/96/94/77/508969477.db2.gz SEJXSUNBWIGPNM-UYAOXDASSA-N 2 1 356.514 2.733 20 30 FFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000185881789 509404333 /nfs/dbraw/zinc/40/43/33/509404333.db2.gz JQPPFZAHUIURRH-MJGOQNOKSA-N 2 1 370.497 2.519 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183144071 509625295 /nfs/dbraw/zinc/62/52/95/509625295.db2.gz YURGSDXMVNDWQQ-HOTGVXAUSA-N 2 1 353.470 2.840 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245536514 509989578 /nfs/dbraw/zinc/98/95/78/509989578.db2.gz LIMUMZKRFKQEIO-SFTDATJTSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245536514 509989582 /nfs/dbraw/zinc/98/95/82/509989582.db2.gz LIMUMZKRFKQEIO-SFTDATJTSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245536514 509989587 /nfs/dbraw/zinc/98/95/87/509989587.db2.gz LIMUMZKRFKQEIO-SFTDATJTSA-N 2 1 368.525 2.735 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268552981 510005732 /nfs/dbraw/zinc/00/57/32/510005732.db2.gz MZAPSCRENJVGKF-OAQYLSRUSA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268552977 510006438 /nfs/dbraw/zinc/00/64/38/510006438.db2.gz MZAPSCRENJVGKF-NRFANRHFSA-N 2 1 370.541 2.943 20 30 FFEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000262553322 510314712 /nfs/dbraw/zinc/31/47/12/510314712.db2.gz UHXXZYJMLLOIEF-IRXDYDNUSA-N 2 1 354.454 2.845 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262800602 510417243 /nfs/dbraw/zinc/41/72/43/510417243.db2.gz QUKSNCKIIFGGIE-HOCLYGCPSA-N 2 1 353.470 2.632 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N(C)CCC#N ZINC000246613658 510583951 /nfs/dbraw/zinc/58/39/51/510583951.db2.gz SHDRKJWOBZFINH-ZWKOTPCHSA-N 2 1 356.514 2.911 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000178615438 510689016 /nfs/dbraw/zinc/68/90/16/510689016.db2.gz PBMZDIWLGZWMDE-UHFFFAOYSA-N 2 1 350.466 2.864 20 30 FFEDMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330348550 510971628 /nfs/dbraw/zinc/97/16/28/510971628.db2.gz IVKXAWSRQWWHKD-MRXNPFEDSA-N 2 1 358.490 2.792 20 30 FFEDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330348550 510971631 /nfs/dbraw/zinc/97/16/31/510971631.db2.gz IVKXAWSRQWWHKD-MRXNPFEDSA-N 2 1 358.490 2.792 20 30 FFEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278708830 511004278 /nfs/dbraw/zinc/00/42/78/511004278.db2.gz RPMAKIJGLYHWMA-QGZVFWFLSA-N 2 1 352.486 2.680 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC000286460290 511025288 /nfs/dbraw/zinc/02/52/88/511025288.db2.gz OMOZVXUSCVTCHY-HXUWFJFHSA-N 2 1 365.477 2.572 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000290591310 511146490 /nfs/dbraw/zinc/14/64/90/511146490.db2.gz BGLLMBOVKYGHBM-UHFFFAOYSA-N 2 1 371.529 2.830 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298968609 511469101 /nfs/dbraw/zinc/46/91/01/511469101.db2.gz PBTKFPNHMQQYDI-LESCRADOSA-N 2 1 372.538 2.968 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298968609 511469106 /nfs/dbraw/zinc/46/91/06/511469106.db2.gz PBTKFPNHMQQYDI-LESCRADOSA-N 2 1 372.538 2.968 20 30 FFEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000299445689 511639578 /nfs/dbraw/zinc/63/95/78/511639578.db2.gz LPTMINPWCCKOPA-UHFFFAOYSA-N 2 1 361.486 2.578 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000274537269 511867072 /nfs/dbraw/zinc/86/70/72/511867072.db2.gz BGMVKASLJUAUES-MRXNPFEDSA-N 2 1 355.482 2.691 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293178595 511870691 /nfs/dbraw/zinc/87/06/91/511870691.db2.gz DLRGLQAXICRKFE-UHFFFAOYSA-N 2 1 368.525 2.737 20 30 FFEDMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329131624 511989452 /nfs/dbraw/zinc/98/94/52/511989452.db2.gz XXCLLMVDZFFZFB-ZIAGYGMSSA-N 2 1 351.520 2.699 20 30 FFEDMP C[C@@H]1[C@@H](C)N(C(=O)Nc2nc(CN3CCCCC3)cs2)CCN1C ZINC000329131624 511989454 /nfs/dbraw/zinc/98/94/54/511989454.db2.gz XXCLLMVDZFFZFB-ZIAGYGMSSA-N 2 1 351.520 2.699 20 30 FFEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329395498 512039857 /nfs/dbraw/zinc/03/98/57/512039857.db2.gz XBADWVIUOXBCIS-PKOBYXMFSA-N 2 1 373.545 2.696 20 30 FFEDMP CN(C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329425862 512045040 /nfs/dbraw/zinc/04/50/40/512045040.db2.gz IQRRXXDXEVGZNV-PMRDEQMMSA-N 2 1 373.545 2.966 20 30 FFEDMP CN(C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329425862 512045044 /nfs/dbraw/zinc/04/50/44/512045044.db2.gz IQRRXXDXEVGZNV-PMRDEQMMSA-N 2 1 373.545 2.966 20 30 FFEDMP Cc1oc(C#N)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373865021 512544771 /nfs/dbraw/zinc/54/47/71/512544771.db2.gz XLYFKYRZYHXEIP-UHFFFAOYSA-N 2 1 372.513 2.728 20 30 FFEDMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424137665 514394943 /nfs/dbraw/zinc/39/49/43/514394943.db2.gz SJOQFEVEFHYFGG-RTBURBONSA-N 2 1 356.514 2.597 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789790 516578611 /nfs/dbraw/zinc/57/86/11/516578611.db2.gz DYZWMHFBMDNHLY-MOPGFXCFSA-N 2 1 350.551 2.668 20 30 FFEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CCCC#N)c3ccccc3)cn2)CC1 ZINC000556907244 517740348 /nfs/dbraw/zinc/74/03/48/517740348.db2.gz OSSANEQXOKADKO-FQEVSTJZSA-N 2 1 364.497 2.753 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000539147529 517934795 /nfs/dbraw/zinc/93/47/95/517934795.db2.gz KNFMJTZPJFUTHY-ROUUACIJSA-N 2 1 357.498 2.648 20 30 FFEDMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000572603084 518272067 /nfs/dbraw/zinc/27/20/67/518272067.db2.gz SILRCQVVPRJRJD-SFHVURJKSA-N 2 1 371.448 2.924 20 30 FFEDMP CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571047055 518901667 /nfs/dbraw/zinc/90/16/67/518901667.db2.gz HGHPXMIMZGBJFG-SFHVURJKSA-N 2 1 360.465 2.555 20 30 FFEDMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)CC1 ZINC000602876177 519942425 /nfs/dbraw/zinc/94/24/25/519942425.db2.gz FQNGACSWJNLWDI-UHFFFAOYSA-N 2 1 372.538 2.855 20 30 FFEDMP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]2C2CC2)c1 ZINC000594444821 519971115 /nfs/dbraw/zinc/97/11/15/519971115.db2.gz CYINDBBCVOBPEH-SLFFLAALSA-N 2 1 370.497 2.500 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601287305 520723442 /nfs/dbraw/zinc/72/34/42/520723442.db2.gz GXZQCDJOMKWAEO-UHFFFAOYSA-N 2 1 372.557 2.725 20 30 FFEDMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612796 520742118 /nfs/dbraw/zinc/74/21/18/520742118.db2.gz DCIDHHAXPCUEIR-HZPDHXFCSA-N 2 1 350.532 2.506 20 30 FFEDMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000611253803 521058936 /nfs/dbraw/zinc/05/89/36/521058936.db2.gz IBEBVZDZHCHRIW-UHFFFAOYSA-N 2 1 364.493 2.821 20 30 FFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597025492 521455550 /nfs/dbraw/zinc/45/55/50/521455550.db2.gz DPJVZOTZYHUSCZ-NRFANRHFSA-N 2 1 352.526 2.842 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)CC2)CC1 ZINC000594296427 521543656 /nfs/dbraw/zinc/54/36/56/521543656.db2.gz NLSLFYABJHXZOL-DYESRHJHSA-N 2 1 360.546 2.771 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533090 727987205 /nfs/dbraw/zinc/98/72/05/727987205.db2.gz QDBAXCZACFKHIG-AWEZNQCLSA-N 2 1 351.288 2.893 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533090 727987209 /nfs/dbraw/zinc/98/72/09/727987209.db2.gz QDBAXCZACFKHIG-AWEZNQCLSA-N 2 1 351.288 2.893 20 30 FFEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1c(F)cccc1Cl ZINC000262506521 729667492 /nfs/dbraw/zinc/66/74/92/729667492.db2.gz ABICKUABLGWKTQ-CYBMUJFWSA-N 2 1 352.885 2.971 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000304795330 729737288 /nfs/dbraw/zinc/73/72/88/729737288.db2.gz MGOFBJFSBYWFRH-NUJGCVRESA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304795330 729737290 /nfs/dbraw/zinc/73/72/90/729737290.db2.gz MGOFBJFSBYWFRH-NUJGCVRESA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000304795330 729737292 /nfs/dbraw/zinc/73/72/92/729737292.db2.gz MGOFBJFSBYWFRH-NUJGCVRESA-N 3 1 363.575 2.520 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1Cl ZINC000305759129 729738230 /nfs/dbraw/zinc/73/82/30/729738230.db2.gz BNGQIMAMKARFNH-HNNXBMFYSA-N 2 1 373.328 2.899 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305729037 729738342 /nfs/dbraw/zinc/73/83/42/729738342.db2.gz SVMUECIUXXOERC-AWEZNQCLSA-N 2 1 352.885 2.899 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000876715670 732271623 /nfs/dbraw/zinc/27/16/23/732271623.db2.gz PFWWUSBIBMHYJX-INIZCTEOSA-N 2 1 356.297 2.844 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000876715670 732271626 /nfs/dbraw/zinc/27/16/26/732271626.db2.gz PFWWUSBIBMHYJX-INIZCTEOSA-N 2 1 356.297 2.844 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001104932963 971177081 /nfs/dbraw/zinc/17/70/81/971177081.db2.gz XRTZTBWRCVLDDJ-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993206 971736842 /nfs/dbraw/zinc/73/68/42/971736842.db2.gz FAYSVZBUJJHCKP-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993206 971736849 /nfs/dbraw/zinc/73/68/49/971736849.db2.gz FAYSVZBUJJHCKP-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993206 971736856 /nfs/dbraw/zinc/73/68/56/971736856.db2.gz FAYSVZBUJJHCKP-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993206 971736860 /nfs/dbraw/zinc/73/68/60/971736860.db2.gz FAYSVZBUJJHCKP-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993206 971736866 /nfs/dbraw/zinc/73/68/66/971736866.db2.gz FAYSVZBUJJHCKP-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023085 971897899 /nfs/dbraw/zinc/89/78/99/971897899.db2.gz NFSNCWSETGPYNX-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023085 971897902 /nfs/dbraw/zinc/89/79/02/971897902.db2.gz NFSNCWSETGPYNX-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023085 971897909 /nfs/dbraw/zinc/89/79/09/971897909.db2.gz NFSNCWSETGPYNX-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023085 971897918 /nfs/dbraw/zinc/89/79/18/971897918.db2.gz NFSNCWSETGPYNX-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023085 971897927 /nfs/dbraw/zinc/89/79/27/971897927.db2.gz NFSNCWSETGPYNX-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023086 971898279 /nfs/dbraw/zinc/89/82/79/971898279.db2.gz NFSNCWSETGPYNX-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023086 971898282 /nfs/dbraw/zinc/89/82/82/971898282.db2.gz NFSNCWSETGPYNX-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023086 971898289 /nfs/dbraw/zinc/89/82/89/971898289.db2.gz NFSNCWSETGPYNX-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023086 971898296 /nfs/dbraw/zinc/89/82/96/971898296.db2.gz NFSNCWSETGPYNX-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023086 971898302 /nfs/dbraw/zinc/89/83/02/971898302.db2.gz NFSNCWSETGPYNX-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)CC2(C)C)CC[N@H+]1C ZINC000974600225 972047378 /nfs/dbraw/zinc/04/73/78/972047378.db2.gz PBWFPRDENZJMLF-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@@H+]1C ZINC000974600225 972047385 /nfs/dbraw/zinc/04/73/85/972047385.db2.gz PBWFPRDENZJMLF-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@H+]1C ZINC000974600225 972047394 /nfs/dbraw/zinc/04/73/94/972047394.db2.gz PBWFPRDENZJMLF-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000974600225 972047403 /nfs/dbraw/zinc/04/74/03/972047403.db2.gz PBWFPRDENZJMLF-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000974600225 972047410 /nfs/dbraw/zinc/04/74/10/972047410.db2.gz PBWFPRDENZJMLF-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001167298911 961301560 /nfs/dbraw/zinc/30/15/60/961301560.db2.gz GMHVTBQNNDWWCP-UXHICEINSA-N 2 1 355.526 2.784 20 30 FFEDMP C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087173564 965068547 /nfs/dbraw/zinc/06/85/47/965068547.db2.gz GHJATZJMAUIVPB-UZLBHIALSA-N 2 1 365.481 2.631 20 30 FFEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604932 967985067 /nfs/dbraw/zinc/98/50/67/967985067.db2.gz UMHTUVLDSPHRPS-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604932 967985072 /nfs/dbraw/zinc/98/50/72/967985072.db2.gz UMHTUVLDSPHRPS-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604932 967985076 /nfs/dbraw/zinc/98/50/76/967985076.db2.gz UMHTUVLDSPHRPS-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087569645 968190991 /nfs/dbraw/zinc/19/09/91/968190991.db2.gz GLOUTZFVOLEIQM-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087569645 968190995 /nfs/dbraw/zinc/19/09/95/968190995.db2.gz GLOUTZFVOLEIQM-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087569645 968191001 /nfs/dbraw/zinc/19/10/01/968191001.db2.gz GLOUTZFVOLEIQM-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087773523 968989167 /nfs/dbraw/zinc/98/91/67/968989167.db2.gz RQOCXCVMMHFIHA-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104594595 969897026 /nfs/dbraw/zinc/89/70/26/969897026.db2.gz AKJFZZOKOJNHFI-KBRIMQKVSA-N 2 1 364.921 2.581 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681096 970092477 /nfs/dbraw/zinc/09/24/77/970092477.db2.gz DBGDBMAQMDMFCP-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001104707018 970139689 /nfs/dbraw/zinc/13/96/89/970139689.db2.gz ZUJIINFHQXQSNG-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167405 973292314 /nfs/dbraw/zinc/29/23/14/973292314.db2.gz WZNQIVMOAHZMAG-DXIQSLLYSA-N 2 1 355.526 2.820 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cn1 ZINC000262500730 973840715 /nfs/dbraw/zinc/84/07/15/973840715.db2.gz KOMRCDVASXUOHN-KRWDZBQOSA-N 2 1 362.437 2.504 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000985441228 974098312 /nfs/dbraw/zinc/09/83/12/974098312.db2.gz WWPWXJPNUJDXPK-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000985441228 974098321 /nfs/dbraw/zinc/09/83/21/974098321.db2.gz WWPWXJPNUJDXPK-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000985441228 974098329 /nfs/dbraw/zinc/09/83/29/974098329.db2.gz WWPWXJPNUJDXPK-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1F ZINC000303886463 974161992 /nfs/dbraw/zinc/16/19/92/974161992.db2.gz NUFDMVIIBAQPNU-UHFFFAOYSA-N 2 1 351.429 2.967 20 30 FFEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961369388 1014173929 /nfs/dbraw/zinc/17/39/29/1014173929.db2.gz XSKVQOLAEDGKGA-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369388 1014173934 /nfs/dbraw/zinc/17/39/34/1014173934.db2.gz XSKVQOLAEDGKGA-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369388 1014173939 /nfs/dbraw/zinc/17/39/39/1014173939.db2.gz XSKVQOLAEDGKGA-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531673 975956913 /nfs/dbraw/zinc/95/69/13/975956913.db2.gz KPVOGNQCUCNULS-LPHOPBHVSA-N 2 1 355.954 2.935 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261633431 977390771 /nfs/dbraw/zinc/39/07/71/977390771.db2.gz COTDAOFUJHIDGI-CFIQQJQHSA-N 2 1 360.546 2.514 20 30 FFEDMP C[NH+]=C(NCc1csc2ccccc12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261645134 977404424 /nfs/dbraw/zinc/40/44/24/977404424.db2.gz DQLLDBUYNKBRQE-INIZCTEOSA-N 2 1 372.538 2.631 20 30 FFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C#N)ccc3N(C)C)CC2)CC1 ZINC000877596069 1014638144 /nfs/dbraw/zinc/63/81/44/1014638144.db2.gz MREOKHJYCGKWOU-UHFFFAOYSA-N 2 1 369.557 2.616 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605577 981422413 /nfs/dbraw/zinc/42/24/13/981422413.db2.gz XDMLENMLYGQCRD-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605577 981422417 /nfs/dbraw/zinc/42/24/17/981422417.db2.gz XDMLENMLYGQCRD-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605577 981422418 /nfs/dbraw/zinc/42/24/18/981422418.db2.gz XDMLENMLYGQCRD-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088605577 981422419 /nfs/dbraw/zinc/42/24/19/981422419.db2.gz XDMLENMLYGQCRD-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP C[C@H]1COCCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000878285847 1014965963 /nfs/dbraw/zinc/96/59/63/1014965963.db2.gz HPOBIRURVMFCJW-ROUUACIJSA-N 2 1 357.498 2.780 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484952 984588493 /nfs/dbraw/zinc/58/84/93/984588493.db2.gz BVVZXOHGAXLHDQ-WSTZPKSXSA-N 2 1 365.949 2.974 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403816 986151626 /nfs/dbraw/zinc/15/16/26/986151626.db2.gz WQBPZLCTQAQVDS-VAMGGRTRSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403816 986151628 /nfs/dbraw/zinc/15/16/28/986151628.db2.gz WQBPZLCTQAQVDS-VAMGGRTRSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403816 986151630 /nfs/dbraw/zinc/15/16/30/986151630.db2.gz WQBPZLCTQAQVDS-VAMGGRTRSA-N 2 1 365.562 2.811 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106112261 986534883 /nfs/dbraw/zinc/53/48/83/986534883.db2.gz ZRVKBXRRZPWMJR-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000176388563 986884758 /nfs/dbraw/zinc/88/47/58/986884758.db2.gz RLKQYKXJPHSOPO-UHFFFAOYSA-N 2 1 367.537 2.953 20 30 FFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435999 988149653 /nfs/dbraw/zinc/14/96/53/988149653.db2.gz XFHDOAIBWJKVDK-KZNAEPCWSA-N 2 1 358.530 2.801 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672151 988619105 /nfs/dbraw/zinc/61/91/05/988619105.db2.gz HJMZLBFNYBLYBC-VQIMIIECSA-N 2 1 363.933 2.598 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673773418 989242818 /nfs/dbraw/zinc/24/28/18/989242818.db2.gz FYTCMEJUECHHFZ-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081133838 993692130 /nfs/dbraw/zinc/69/21/30/993692130.db2.gz HXOWNVUWSITDSR-IPMKNSEASA-N 2 1 361.917 2.807 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000811955825 995300425 /nfs/dbraw/zinc/30/04/25/995300425.db2.gz BQTFUPGXZOACOH-SFTDATJTSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000811955825 995300431 /nfs/dbraw/zinc/30/04/31/995300431.db2.gz BQTFUPGXZOACOH-SFTDATJTSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000811955825 995300435 /nfs/dbraw/zinc/30/04/35/995300435.db2.gz BQTFUPGXZOACOH-SFTDATJTSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000811955825 995300441 /nfs/dbraw/zinc/30/04/41/995300441.db2.gz BQTFUPGXZOACOH-SFTDATJTSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001084417882 996517756 /nfs/dbraw/zinc/51/77/56/996517756.db2.gz KDFYMIKYZJEQLT-QHAWAJNXSA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001084417882 996517762 /nfs/dbraw/zinc/51/77/62/996517762.db2.gz KDFYMIKYZJEQLT-QHAWAJNXSA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001084417882 996517769 /nfs/dbraw/zinc/51/77/69/996517769.db2.gz KDFYMIKYZJEQLT-QHAWAJNXSA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001084417882 996517773 /nfs/dbraw/zinc/51/77/73/996517773.db2.gz KDFYMIKYZJEQLT-QHAWAJNXSA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001084418133 996519214 /nfs/dbraw/zinc/51/92/14/996519214.db2.gz WXSXHARSGYUMSZ-QHAWAJNXSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001084418133 996519216 /nfs/dbraw/zinc/51/92/16/996519216.db2.gz WXSXHARSGYUMSZ-QHAWAJNXSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001084418133 996519219 /nfs/dbraw/zinc/51/92/19/996519219.db2.gz WXSXHARSGYUMSZ-QHAWAJNXSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001084418133 996519225 /nfs/dbraw/zinc/51/92/25/996519225.db2.gz WXSXHARSGYUMSZ-QHAWAJNXSA-N 2 1 371.569 2.833 20 30 FFEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745466 1016239113 /nfs/dbraw/zinc/23/91/13/1016239113.db2.gz FXKIUFUJRXIHAE-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745466 1016239119 /nfs/dbraw/zinc/23/91/19/1016239119.db2.gz FXKIUFUJRXIHAE-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745466 1016239125 /nfs/dbraw/zinc/23/91/25/1016239125.db2.gz FXKIUFUJRXIHAE-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745467 1016238409 /nfs/dbraw/zinc/23/84/09/1016238409.db2.gz FXKIUFUJRXIHAE-PLACYPQZSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745467 1016238418 /nfs/dbraw/zinc/23/84/18/1016238418.db2.gz FXKIUFUJRXIHAE-PLACYPQZSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745467 1016238428 /nfs/dbraw/zinc/23/84/28/1016238428.db2.gz FXKIUFUJRXIHAE-PLACYPQZSA-N 2 1 353.510 2.583 20 30 FFEDMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1)[NH+](C)C ZINC001085025232 998704592 /nfs/dbraw/zinc/70/45/92/998704592.db2.gz LOZUHOIIHYINQU-JRGCBEDISA-N 2 1 368.525 2.567 20 30 FFEDMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1)[NH+](C)C ZINC001085025232 998704594 /nfs/dbraw/zinc/70/45/94/998704594.db2.gz LOZUHOIIHYINQU-JRGCBEDISA-N 2 1 368.525 2.567 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110005790 1001278930 /nfs/dbraw/zinc/27/89/30/1001278930.db2.gz CYQXBLMUBXTVID-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001112561809 1001480376 /nfs/dbraw/zinc/48/03/76/1001480376.db2.gz SRVDBHBWFWVOJC-ONTIZHBOSA-N 2 1 353.510 2.531 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092297344 1002620515 /nfs/dbraw/zinc/62/05/15/1002620515.db2.gz VFJXLEUEGGKJIO-QUCCMNQESA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092297344 1002620526 /nfs/dbraw/zinc/62/05/26/1002620526.db2.gz VFJXLEUEGGKJIO-QUCCMNQESA-N 2 1 361.917 2.895 20 30 FFEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170397898 1003141360 /nfs/dbraw/zinc/14/13/60/1003141360.db2.gz IFDYEIISMGKGQB-VRKFHHGPSA-N 2 1 368.525 2.533 20 30 FFEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170397898 1003141367 /nfs/dbraw/zinc/14/13/67/1003141367.db2.gz IFDYEIISMGKGQB-VRKFHHGPSA-N 2 1 368.525 2.533 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001001421718 1016796466 /nfs/dbraw/zinc/79/64/66/1016796466.db2.gz GUXIGQVCGYYQDL-FCHUYYIVSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086711780 1005955930 /nfs/dbraw/zinc/95/59/30/1005955930.db2.gz AYYORSIMYFSUQZ-PWRODBHTSA-N 2 1 368.525 2.807 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975735 1008016150 /nfs/dbraw/zinc/01/61/50/1008016150.db2.gz LWNCSAHNXNZZET-VGSWGCGISA-N 2 1 365.477 2.602 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975735 1008016157 /nfs/dbraw/zinc/01/61/57/1008016157.db2.gz LWNCSAHNXNZZET-VGSWGCGISA-N 2 1 365.477 2.602 20 30 FFEDMP C#C[C@H](NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000820583047 1008351272 /nfs/dbraw/zinc/35/12/72/1008351272.db2.gz DVZHHHVVQYBWQE-NRFANRHFSA-N 2 1 368.525 2.563 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1Oc1cccc(F)c1 ZINC000104164963 1009930193 /nfs/dbraw/zinc/93/01/93/1009930193.db2.gz FWPAYCVZSAVVQQ-KRWDZBQOSA-N 2 1 371.460 2.902 20 30 FFEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182345749 1010520021 /nfs/dbraw/zinc/52/00/21/1010520021.db2.gz OQDYKWKIFYWTFC-SFTDATJTSA-N 2 1 355.526 2.974 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001182345749 1010520031 /nfs/dbraw/zinc/52/00/31/1010520031.db2.gz OQDYKWKIFYWTFC-SFTDATJTSA-N 2 1 355.526 2.974 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001182345749 1010520040 /nfs/dbraw/zinc/52/00/40/1010520040.db2.gz OQDYKWKIFYWTFC-SFTDATJTSA-N 2 1 355.526 2.974 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001094241466 1010984655 /nfs/dbraw/zinc/98/46/55/1010984655.db2.gz GHTMSAHJHOVGTJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)cc1OC ZINC000303770638 1012425616 /nfs/dbraw/zinc/42/56/16/1012425616.db2.gz BZVWWATZJYQNNT-KRWDZBQOSA-N 2 1 356.470 2.603 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000303780851 1012428098 /nfs/dbraw/zinc/42/80/98/1012428098.db2.gz LSWCRVMTDOUGLF-UHFFFAOYSA-N 2 1 356.470 2.953 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000303907491 1012516319 /nfs/dbraw/zinc/51/63/19/1012516319.db2.gz WWFBPMYGUWCKCD-NQIIRXRSSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303907491 1012516339 /nfs/dbraw/zinc/51/63/39/1012516339.db2.gz WWFBPMYGUWCKCD-NQIIRXRSSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000303907491 1012516354 /nfs/dbraw/zinc/51/63/54/1012516354.db2.gz WWFBPMYGUWCKCD-NQIIRXRSSA-N 3 1 371.573 2.807 20 30 FFEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731088 1018070125 /nfs/dbraw/zinc/07/01/25/1018070125.db2.gz JOPSWMMNALRCCI-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731088 1018070137 /nfs/dbraw/zinc/07/01/37/1018070137.db2.gz JOPSWMMNALRCCI-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731088 1018070150 /nfs/dbraw/zinc/07/01/50/1018070150.db2.gz JOPSWMMNALRCCI-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704512 1018846527 /nfs/dbraw/zinc/84/65/27/1018846527.db2.gz YTTJDEJRUIWWLM-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704512 1018846541 /nfs/dbraw/zinc/84/65/41/1018846541.db2.gz YTTJDEJRUIWWLM-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704512 1018846556 /nfs/dbraw/zinc/84/65/56/1018846556.db2.gz YTTJDEJRUIWWLM-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(C#N)c(CC)c1)CC[NH2+]CC2 ZINC001222231362 1032843792 /nfs/dbraw/zinc/84/37/92/1032843792.db2.gz LCTYMTQAHXEXSW-LJQANCHMSA-N 2 1 355.482 2.628 20 30 FFEDMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)c(CC)c1)CC[NH2+]CC2 ZINC001222231362 1032843807 /nfs/dbraw/zinc/84/38/07/1032843807.db2.gz LCTYMTQAHXEXSW-LJQANCHMSA-N 2 1 355.482 2.628 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015521 1019898721 /nfs/dbraw/zinc/89/87/21/1019898721.db2.gz JFGFPFKNEURGPA-YLAKUSLOSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096015521 1019898738 /nfs/dbraw/zinc/89/87/38/1019898738.db2.gz JFGFPFKNEURGPA-YLAKUSLOSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015521 1019898758 /nfs/dbraw/zinc/89/87/58/1019898758.db2.gz JFGFPFKNEURGPA-YLAKUSLOSA-N 2 1 351.510 2.887 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931441781 1020468257 /nfs/dbraw/zinc/46/82/57/1020468257.db2.gz XWPNUNDCPISCNJ-HSALFYBXSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931441781 1020468261 /nfs/dbraw/zinc/46/82/61/1020468261.db2.gz XWPNUNDCPISCNJ-HSALFYBXSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000931441781 1020468267 /nfs/dbraw/zinc/46/82/67/1020468267.db2.gz XWPNUNDCPISCNJ-HSALFYBXSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000931441781 1020468271 /nfs/dbraw/zinc/46/82/71/1020468271.db2.gz XWPNUNDCPISCNJ-HSALFYBXSA-N 2 1 368.525 2.822 20 30 FFEDMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](Cc1cccc(C#N)c1)C2 ZINC001098983066 1021527488 /nfs/dbraw/zinc/52/74/88/1021527488.db2.gz IUVWYSOPIDTQHP-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](Cc1cccc(C#N)c1)C2 ZINC001098983066 1021527499 /nfs/dbraw/zinc/52/74/99/1021527499.db2.gz IUVWYSOPIDTQHP-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001098983066 1021527512 /nfs/dbraw/zinc/52/75/12/1021527512.db2.gz IUVWYSOPIDTQHP-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001098983066 1021527523 /nfs/dbraw/zinc/52/75/23/1021527523.db2.gz IUVWYSOPIDTQHP-ONTIZHBOSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001099028200 1021627124 /nfs/dbraw/zinc/62/71/24/1021627124.db2.gz VDVBICOTHLFANP-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001099028200 1021627131 /nfs/dbraw/zinc/62/71/31/1021627131.db2.gz VDVBICOTHLFANP-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001099028200 1021627135 /nfs/dbraw/zinc/62/71/35/1021627135.db2.gz VDVBICOTHLFANP-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001099028200 1021627146 /nfs/dbraw/zinc/62/71/46/1021627146.db2.gz VDVBICOTHLFANP-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001016839566 1022112138 /nfs/dbraw/zinc/11/21/38/1022112138.db2.gz CSTABSDRTMBZFD-HKBOAZHASA-N 2 1 367.537 2.879 20 30 FFEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001016839571 1022112471 /nfs/dbraw/zinc/11/24/71/1022112471.db2.gz CSTABSDRTMBZFD-QHAWAJNXSA-N 2 1 367.537 2.879 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218337679 1033113413 /nfs/dbraw/zinc/11/34/13/1033113413.db2.gz YZOKXIYNKAQELO-JOCHJYFZSA-N 2 1 362.477 2.621 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000754739921 1023511176 /nfs/dbraw/zinc/51/11/76/1023511176.db2.gz GVENMCGSGZVZCT-MISYRCLQSA-N 2 1 360.498 2.813 20 30 FFEDMP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000756911371 1023767891 /nfs/dbraw/zinc/76/78/91/1023767891.db2.gz KZWGDWLVKMCASA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000756911371 1023767899 /nfs/dbraw/zinc/76/78/99/1023767899.db2.gz KZWGDWLVKMCASA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000756911371 1023767903 /nfs/dbraw/zinc/76/79/03/1023767903.db2.gz KZWGDWLVKMCASA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000756911371 1023767905 /nfs/dbraw/zinc/76/79/05/1023767905.db2.gz KZWGDWLVKMCASA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396701 1024626910 /nfs/dbraw/zinc/62/69/10/1024626910.db2.gz GIGDLJAXCVAJNF-LMMKCTJWSA-N 2 1 355.954 2.886 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396701 1024626916 /nfs/dbraw/zinc/62/69/16/1024626916.db2.gz GIGDLJAXCVAJNF-LMMKCTJWSA-N 2 1 355.954 2.886 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059311 1025377292 /nfs/dbraw/zinc/37/72/92/1025377292.db2.gz KLJUKXTWCSKNGC-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059311 1025377302 /nfs/dbraw/zinc/37/73/02/1025377302.db2.gz KLJUKXTWCSKNGC-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059311 1025377307 /nfs/dbraw/zinc/37/73/07/1025377307.db2.gz KLJUKXTWCSKNGC-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001102140741 1025473699 /nfs/dbraw/zinc/47/36/99/1025473699.db2.gz CHKULOHTXHIULZ-KZNAEPCWSA-N 2 1 367.497 2.920 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103084107 1026945031 /nfs/dbraw/zinc/94/50/31/1026945031.db2.gz YXWCYQTYNPWVQM-TZIWHRDSSA-N 2 1 367.537 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001103098928 1026961107 /nfs/dbraw/zinc/96/11/07/1026961107.db2.gz RTZSHKMXVPLSEB-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001103098928 1026961109 /nfs/dbraw/zinc/96/11/09/1026961109.db2.gz RTZSHKMXVPLSEB-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103098928 1026961110 /nfs/dbraw/zinc/96/11/10/1026961110.db2.gz RTZSHKMXVPLSEB-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103098928 1026961112 /nfs/dbraw/zinc/96/11/12/1026961112.db2.gz RTZSHKMXVPLSEB-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001103438543 1027485515 /nfs/dbraw/zinc/48/55/15/1027485515.db2.gz PFEAFNGVVZCGQE-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001103438543 1027485526 /nfs/dbraw/zinc/48/55/26/1027485526.db2.gz PFEAFNGVVZCGQE-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001103438543 1027485534 /nfs/dbraw/zinc/48/55/34/1027485534.db2.gz PFEAFNGVVZCGQE-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC(C)C)c1ccccc1OC ZINC000248628703 1027735217 /nfs/dbraw/zinc/73/52/17/1027735217.db2.gz GAOZMSAVSLEBFE-VQIMIIECSA-N 2 1 362.518 2.550 20 30 FFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196324 1028653711 /nfs/dbraw/zinc/65/37/11/1028653711.db2.gz RJIFTEUBPAQPTG-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001164578478 1029327498 /nfs/dbraw/zinc/32/74/98/1029327498.db2.gz CAFBBLLWRIAFMU-VQTJNVASSA-N 2 1 368.525 2.665 20 30 FFEDMP N#Cc1c2c(cnc1N1C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C1)C[NH2+]CCC2 ZINC001165090238 1029380877 /nfs/dbraw/zinc/38/08/77/1029380877.db2.gz XMLRVORPDDDEJC-AVRDEDQJSA-N 2 1 373.504 2.700 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100964 1030003699 /nfs/dbraw/zinc/00/36/99/1030003699.db2.gz RTSPIZJLKHFNHV-OAGGEKHMSA-N 2 1 361.452 2.804 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112193140 1030200476 /nfs/dbraw/zinc/20/04/76/1030200476.db2.gz MRXQDIMEEGQROG-BRWVUGGUSA-N 2 1 369.431 2.844 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112397003 1030741291 /nfs/dbraw/zinc/74/12/91/1030741291.db2.gz OCUJLDLHQNPPOT-UEXGIBASSA-N 2 1 356.514 2.945 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)C)C1 ZINC001112404155 1030751873 /nfs/dbraw/zinc/75/18/73/1030751873.db2.gz JREDGJWHDLEJMJ-ONTIZHBOSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)C)C1 ZINC001112404155 1030751888 /nfs/dbraw/zinc/75/18/88/1030751888.db2.gz JREDGJWHDLEJMJ-ONTIZHBOSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415335 1031727403 /nfs/dbraw/zinc/72/74/03/1031727403.db2.gz OXZCWSCCIXKDEH-PCCBWWKXSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205452576 1031757320 /nfs/dbraw/zinc/75/73/20/1031757320.db2.gz IPKFTAFEVUKRRI-FFZOFVMBSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC001226842941 1034859298 /nfs/dbraw/zinc/85/92/98/1034859298.db2.gz BHETVFOZCLBWHG-SFHVURJKSA-N 2 1 356.514 2.725 20 30 FFEDMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21)[NH+](CC)CC ZINC001221810453 1035086453 /nfs/dbraw/zinc/08/64/53/1035086453.db2.gz SEOCGYZTKIDEJI-NJDAHSKKSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)[NH+](CC)CC ZINC001221810453 1035086458 /nfs/dbraw/zinc/08/64/58/1035086458.db2.gz SEOCGYZTKIDEJI-NJDAHSKKSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)[NH+](CC)CC ZINC001221811830 1035087203 /nfs/dbraw/zinc/08/72/03/1035087203.db2.gz LVOPCCZOSKXKBY-NJDAHSKKSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21)[NH+](CC)CC ZINC001221811830 1035087209 /nfs/dbraw/zinc/08/72/09/1035087209.db2.gz LVOPCCZOSKXKBY-NJDAHSKKSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818061 1035092176 /nfs/dbraw/zinc/09/21/76/1035092176.db2.gz CRZUBBSZKDMFMT-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818061 1035092186 /nfs/dbraw/zinc/09/21/86/1035092186.db2.gz CRZUBBSZKDMFMT-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818061 1035092192 /nfs/dbraw/zinc/09/21/92/1035092192.db2.gz CRZUBBSZKDMFMT-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001221818061 1035092198 /nfs/dbraw/zinc/09/21/98/1035092198.db2.gz CRZUBBSZKDMFMT-NHCUHLMSSA-N 2 1 355.526 2.660 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001229860107 1036940925 /nfs/dbraw/zinc/94/09/25/1036940925.db2.gz MBVZJWVSENWJOJ-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP C#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001231657485 1037783611 /nfs/dbraw/zinc/78/36/11/1037783611.db2.gz RBBKEEVXNOCQEB-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C#Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001231657485 1037783631 /nfs/dbraw/zinc/78/36/31/1037783631.db2.gz RBBKEEVXNOCQEB-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C#Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001231657485 1037783650 /nfs/dbraw/zinc/78/36/50/1037783650.db2.gz RBBKEEVXNOCQEB-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236079238 1037919178 /nfs/dbraw/zinc/91/91/78/1037919178.db2.gz MUEVTSOQWIVUSC-DEOSSOPVSA-N 2 1 359.517 2.941 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](CC)CC ZINC001208571010 1038418881 /nfs/dbraw/zinc/41/88/81/1038418881.db2.gz GRFNJLVUOBLQMN-AHRSYUTCSA-N 2 1 356.514 2.615 20 30 FFEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](CCCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208859473 1038560625 /nfs/dbraw/zinc/56/06/25/1038560625.db2.gz QBACXJCLOSAZFS-FGZHOGPDSA-N 2 1 363.509 2.678 20 30 FFEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCN(Cc2ccncc2)CC1 ZINC001256588150 1038571112 /nfs/dbraw/zinc/57/11/12/1038571112.db2.gz YXVZQXLCBJNUKB-UHFFFAOYSA-N 2 1 351.498 2.713 20 30 FFEDMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)C(C)C ZINC001209585680 1039021022 /nfs/dbraw/zinc/02/10/22/1039021022.db2.gz PSBILIJYOZHTMR-DUXKGJEZSA-N 2 1 370.541 2.861 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001246060470 1039228186 /nfs/dbraw/zinc/22/81/86/1039228186.db2.gz PHNUKSUVONHJBX-ZWKOTPCHSA-N 2 1 354.535 2.573 20 30 FFEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252130856 1039443936 /nfs/dbraw/zinc/44/39/36/1039443936.db2.gz ZISVDOCIUSWJGU-HXUWFJFHSA-N 2 1 367.578 2.584 20 30 FFEDMP N#Cc1cc(Cl)c(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)cc1Cl ZINC001249328610 1040686324 /nfs/dbraw/zinc/68/63/24/1040686324.db2.gz ZLSFODNENRVILD-CYBMUJFWSA-N 2 1 352.225 2.914 20 30 FFEDMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CC[C@H](C#N)C3)O2)CC1 ZINC001254665306 1040867351 /nfs/dbraw/zinc/86/73/51/1040867351.db2.gz ZRAWNWCFBLASEZ-SRHPJPHMSA-N 2 1 361.530 2.659 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001264040297 1042591298 /nfs/dbraw/zinc/59/12/98/1042591298.db2.gz GPFNNFSUWLDPQI-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001264040297 1042591301 /nfs/dbraw/zinc/59/13/01/1042591301.db2.gz GPFNNFSUWLDPQI-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001264040297 1042591303 /nfs/dbraw/zinc/59/13/03/1042591303.db2.gz GPFNNFSUWLDPQI-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001279225708 1042952516 /nfs/dbraw/zinc/95/25/16/1042952516.db2.gz DLPLADUXOQUGLV-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)no1 ZINC001279403220 1043062065 /nfs/dbraw/zinc/06/20/65/1043062065.db2.gz PFHQYNBMWQKJBW-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)no1 ZINC001279403220 1043062076 /nfs/dbraw/zinc/06/20/76/1043062076.db2.gz PFHQYNBMWQKJBW-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)no1 ZINC001279403220 1043062081 /nfs/dbraw/zinc/06/20/81/1043062081.db2.gz PFHQYNBMWQKJBW-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001278129844 1043301745 /nfs/dbraw/zinc/30/17/45/1043301745.db2.gz WODROSMKONVXGB-SEJPIABJSA-N 2 1 357.498 2.696 20 30 FFEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(C#N)cc1 ZINC001278129844 1043301754 /nfs/dbraw/zinc/30/17/54/1043301754.db2.gz WODROSMKONVXGB-SEJPIABJSA-N 2 1 357.498 2.696 20 30 FFEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001278129844 1043301762 /nfs/dbraw/zinc/30/17/62/1043301762.db2.gz WODROSMKONVXGB-SEJPIABJSA-N 2 1 357.498 2.696 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4ccc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001238191098 1043600351 /nfs/dbraw/zinc/60/03/51/1043600351.db2.gz PRHTVKZTZTWJAW-IEBWSBKVSA-N 2 1 369.900 2.899 20 30 FFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279828997 1043730926 /nfs/dbraw/zinc/73/09/26/1043730926.db2.gz GBXGTMMUHHNNPB-XLIONFOSSA-N 2 1 359.518 2.594 20 30 FFEDMP CCc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)ccc1C#N ZINC001238761531 1043877005 /nfs/dbraw/zinc/87/70/05/1043877005.db2.gz DEAIPDYVZLNQAO-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)ccc1C#N ZINC001238761531 1043877016 /nfs/dbraw/zinc/87/70/16/1043877016.db2.gz DEAIPDYVZLNQAO-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1C#N ZINC001238761531 1043877033 /nfs/dbraw/zinc/87/70/33/1043877033.db2.gz DEAIPDYVZLNQAO-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1C#N ZINC001238761531 1043877049 /nfs/dbraw/zinc/87/70/49/1043877049.db2.gz DEAIPDYVZLNQAO-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc2ccccc2C#N)C2CC2)CC[N@H+]1C ZINC001318699264 1044814984 /nfs/dbraw/zinc/81/49/84/1044814984.db2.gz UYRHZMROSZWCIC-VWPQPMDRSA-N 2 1 368.525 2.663 20 30 FFEDMP N#Cc1cc(-c2ccc(C[NH+]3CC(O)C3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001243641110 1044973804 /nfs/dbraw/zinc/97/38/04/1044973804.db2.gz BBTIXWDLBLDQIM-UHFFFAOYSA-N 2 1 363.461 2.533 20 30 FFEDMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC001284322862 1046517673 /nfs/dbraw/zinc/51/76/73/1046517673.db2.gz JPWHQJBVSHBEQY-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001316643592 1047275844 /nfs/dbraw/zinc/27/58/44/1047275844.db2.gz FILJAISAQKKQTP-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001316643592 1047275849 /nfs/dbraw/zinc/27/58/49/1047275849.db2.gz FILJAISAQKKQTP-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP CN(C)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC001331188969 1049501252 /nfs/dbraw/zinc/50/12/52/1049501252.db2.gz KGNNIVXVJHTPPV-UHFFFAOYSA-N 2 1 366.469 2.615 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342297108 1050890690 /nfs/dbraw/zinc/89/06/90/1050890690.db2.gz AWWJQWFFASFMHD-QGZVFWFLSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342297108 1050890699 /nfs/dbraw/zinc/89/06/99/1050890699.db2.gz AWWJQWFFASFMHD-QGZVFWFLSA-N 2 1 358.534 2.686 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343967456 1052518534 /nfs/dbraw/zinc/51/85/34/1052518534.db2.gz YYSMLNPAQGTZFY-OALUTQOASA-N 2 1 372.561 2.728 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC001335439140 1053363154 /nfs/dbraw/zinc/36/31/54/1053363154.db2.gz AWOWTZCOHFTXJR-KRWDZBQOSA-N 2 1 351.288 2.560 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC001336784172 1054225009 /nfs/dbraw/zinc/22/50/09/1054225009.db2.gz DDPZYMVVXHILMD-KRWDZBQOSA-N 2 1 351.288 2.560 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001543672644 1071520741 /nfs/dbraw/zinc/52/07/41/1071520741.db2.gz XPEHOGPNOSXJEI-QGZVFWFLSA-N 2 1 369.431 2.904 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001500498068 1058504457 /nfs/dbraw/zinc/50/44/57/1058504457.db2.gz DMEWZMAMEDIVFU-NQSCKRDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001500498068 1058504473 /nfs/dbraw/zinc/50/44/73/1058504473.db2.gz DMEWZMAMEDIVFU-NQSCKRDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001500498068 1058504487 /nfs/dbraw/zinc/50/44/87/1058504487.db2.gz DMEWZMAMEDIVFU-NQSCKRDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CCN(C2CCC2)CC1 ZINC001515995627 1059921187 /nfs/dbraw/zinc/92/11/87/1059921187.db2.gz BYWGGFSQZAOOQA-GOSISDBHSA-N 2 1 358.534 2.686 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001479578088 1062571498 /nfs/dbraw/zinc/57/14/98/1062571498.db2.gz CWUYTZNWVCQUNO-XLIONFOSSA-N 2 1 356.514 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCCCC=C)CC[C@@H]3C2)CC1 ZINC001479674492 1062798434 /nfs/dbraw/zinc/79/84/34/1062798434.db2.gz FQZUGGHSDWYWRN-YADHBBJMSA-N 2 1 371.569 2.858 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871533 1064052602 /nfs/dbraw/zinc/05/26/02/1064052602.db2.gz CBLZBYCNOCCNII-NHCUHLMSSA-N 2 1 368.525 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871533 1064052607 /nfs/dbraw/zinc/05/26/07/1064052607.db2.gz CBLZBYCNOCCNII-NHCUHLMSSA-N 2 1 368.525 2.610 20 30 FFEDMP C=CCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001574925390 1078093385 /nfs/dbraw/zinc/09/33/85/1078093385.db2.gz OZUYYSUUEIAAJL-YESZJQIVSA-N 2 1 360.550 2.616 20 30 FFEDMP C=CCN(c1nnc([C@@H]2CCC[NH2+]C2)n1CC[N@H+](C)[C@@H](C)CC)C1CC1 ZINC001574936406 1078094793 /nfs/dbraw/zinc/09/47/93/1078094793.db2.gz VCAYXBGZYWQMKN-DLBZAZTESA-N 2 1 360.550 2.630 20 30 FFEDMP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473487946 1065272785 /nfs/dbraw/zinc/27/27/85/1065272785.db2.gz BQKBLYQZKVOKPQ-AZUAARDMSA-N 2 1 361.917 2.985 20 30 FFEDMP CCCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001577445578 1078361334 /nfs/dbraw/zinc/36/13/34/1078361334.db2.gz ZNSAUGVHDFCDCL-FXAWDEMLSA-N 2 1 373.549 2.565 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001566053284 1076881140 /nfs/dbraw/zinc/88/11/40/1076881140.db2.gz XRDYDTBFRSYCKN-YADHBBJMSA-N 2 1 367.537 2.550 20 30 FFEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001569587421 1077153692 /nfs/dbraw/zinc/15/36/92/1077153692.db2.gz SORDZUJZPKKVRL-DENIHFKCSA-N 2 1 367.537 2.761 20 30 FFEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858719 507865087 /nfs/dbraw/zinc/86/50/87/507865087.db2.gz TWUSOXQRCWXRQV-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858719 507865089 /nfs/dbraw/zinc/86/50/89/507865089.db2.gz TWUSOXQRCWXRQV-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858719 507865091 /nfs/dbraw/zinc/86/50/91/507865091.db2.gz TWUSOXQRCWXRQV-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858719 507865092 /nfs/dbraw/zinc/86/50/92/507865092.db2.gz TWUSOXQRCWXRQV-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)C[C@@H](C)O1 ZINC000092587203 508084498 /nfs/dbraw/zinc/08/44/98/508084498.db2.gz BMQAJGQZFAZTTL-IAGOWNOFSA-N 2 1 367.497 2.527 20 30 FFEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000076762242 508251677 /nfs/dbraw/zinc/25/16/77/508251677.db2.gz WLALDWVSBCCZJM-LJQANCHMSA-N 2 1 357.498 2.960 20 30 FFEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCCCN1CC[NH+](CC)CC1 ZINC000104170012 508329658 /nfs/dbraw/zinc/32/96/58/508329658.db2.gz WCMAHHGEVHGQKG-UHFFFAOYSA-N 2 1 359.562 2.956 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000152984386 508537177 /nfs/dbraw/zinc/53/71/77/508537177.db2.gz JOULZNOWRPTMFD-HNNXBMFYSA-N 2 1 360.458 2.942 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000145976488 508848207 /nfs/dbraw/zinc/84/82/07/508848207.db2.gz CCSBXFTWKAKKQZ-UHFFFAOYSA-N 2 1 357.523 2.519 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000264431267 509524031 /nfs/dbraw/zinc/52/40/31/509524031.db2.gz ZPGPYBQGAFDGDE-UHFFFAOYSA-N 2 1 354.454 2.936 20 30 FFEDMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C#N ZINC000174284663 510038905 /nfs/dbraw/zinc/03/89/05/510038905.db2.gz ZOMYBLUBHGLQEJ-UHFFFAOYSA-N 2 1 364.493 2.604 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000245678836 510079924 /nfs/dbraw/zinc/07/99/24/510079924.db2.gz GFAKZSGNXBZNJA-GBESFXJTSA-N 2 1 350.551 2.809 20 30 FFEDMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)CCC[N@H+]1C ZINC000262250452 510220968 /nfs/dbraw/zinc/22/09/68/510220968.db2.gz DECDNIFHHALZPR-YVEFUNNKSA-N 2 1 362.428 2.508 20 30 FFEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1C#N ZINC000180988122 510225217 /nfs/dbraw/zinc/22/52/17/510225217.db2.gz QTICLXNOTCUMNB-OAQYLSRUSA-N 2 1 365.477 2.813 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000171715017 510327894 /nfs/dbraw/zinc/32/78/94/510327894.db2.gz HJKFGXVCTREMPH-UHFFFAOYSA-N 2 1 370.541 2.773 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246462821 510502598 /nfs/dbraw/zinc/50/25/98/510502598.db2.gz FPNMRSPQQFWZQW-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246462821 510502600 /nfs/dbraw/zinc/50/26/00/510502600.db2.gz FPNMRSPQQFWZQW-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246462821 510502603 /nfs/dbraw/zinc/50/26/03/510502603.db2.gz FPNMRSPQQFWZQW-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246462821 510502604 /nfs/dbraw/zinc/50/26/04/510502604.db2.gz FPNMRSPQQFWZQW-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N(C)CCC#N ZINC000246613637 510583765 /nfs/dbraw/zinc/58/37/65/510583765.db2.gz SHDRKJWOBZFINH-QZTJIDSGSA-N 2 1 356.514 2.911 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000266611865 510687294 /nfs/dbraw/zinc/68/72/94/510687294.db2.gz BRDDTQCHAYMSMY-GOSISDBHSA-N 2 1 369.509 2.691 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246885230 510726420 /nfs/dbraw/zinc/72/64/20/510726420.db2.gz QRVNRKHWGFCZAP-LMMKCTJWSA-N 2 1 358.530 2.666 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330292895 510958843 /nfs/dbraw/zinc/95/88/43/510958843.db2.gz HKDCFPAHWMBWOW-SQNIBIBYSA-N 2 1 359.518 2.698 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330292895 510958851 /nfs/dbraw/zinc/95/88/51/510958851.db2.gz HKDCFPAHWMBWOW-SQNIBIBYSA-N 2 1 359.518 2.698 20 30 FFEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000312094966 511782134 /nfs/dbraw/zinc/78/21/34/511782134.db2.gz FLTUIJVUWHGUNL-OAQYLSRUSA-N 2 1 365.477 2.552 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3nccn3C)C2)C1 ZINC000328755091 511926885 /nfs/dbraw/zinc/92/68/85/511926885.db2.gz FCFMUVLWYBVROX-BBWFWOEESA-N 2 1 361.534 2.880 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C#N ZINC000281754819 511955070 /nfs/dbraw/zinc/95/50/70/511955070.db2.gz RFKBCPFBHINJRM-NRFANRHFSA-N 2 1 365.477 2.813 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(OC)c1O ZINC000370706402 513062806 /nfs/dbraw/zinc/06/28/06/513062806.db2.gz MGNOJHOUPANEKI-YLJYHZDGSA-N 2 1 373.541 2.587 20 30 FFEDMP C=CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(OC)c1O ZINC000370706402 513062809 /nfs/dbraw/zinc/06/28/09/513062809.db2.gz MGNOJHOUPANEKI-YLJYHZDGSA-N 2 1 373.541 2.587 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000420389480 514125080 /nfs/dbraw/zinc/12/50/80/514125080.db2.gz YKESFYCKQHMYNF-TZIWHRDSSA-N 2 1 359.514 2.692 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000433320969 514458247 /nfs/dbraw/zinc/45/82/47/514458247.db2.gz WFNUGGIYLQHUSK-RBUKOAKNSA-N 2 1 350.470 2.575 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000433320969 514458249 /nfs/dbraw/zinc/45/82/49/514458249.db2.gz WFNUGGIYLQHUSK-RBUKOAKNSA-N 2 1 350.470 2.575 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837376 515080943 /nfs/dbraw/zinc/08/09/43/515080943.db2.gz KYCRMABHMBKFHP-RTWAWAEBSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837376 515080952 /nfs/dbraw/zinc/08/09/52/515080952.db2.gz KYCRMABHMBKFHP-RTWAWAEBSA-N 2 1 371.525 2.742 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381285 516395619 /nfs/dbraw/zinc/39/56/19/516395619.db2.gz MCFKBKPICAMTAY-DYXWJJEUSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381285 516395629 /nfs/dbraw/zinc/39/56/29/516395629.db2.gz MCFKBKPICAMTAY-DYXWJJEUSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381285 516395639 /nfs/dbraw/zinc/39/56/39/516395639.db2.gz MCFKBKPICAMTAY-DYXWJJEUSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381285 516395647 /nfs/dbraw/zinc/39/56/47/516395647.db2.gz MCFKBKPICAMTAY-DYXWJJEUSA-N 2 1 371.525 2.884 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC(C)(C)[C@H]3C#N)CC2)CC1 ZINC000553239750 517594316 /nfs/dbraw/zinc/59/43/16/517594316.db2.gz VCYBUJGZPRQRES-LJQANCHMSA-N 2 1 360.546 2.723 20 30 FFEDMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(CCC#N)CC1 ZINC000563708453 518081784 /nfs/dbraw/zinc/08/17/84/518081784.db2.gz NZOQJOJDHIWSSP-NQIIRXRSSA-N 2 1 368.525 2.781 20 30 FFEDMP N#Cc1cnn2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cnc12 ZINC000569605240 518204988 /nfs/dbraw/zinc/20/49/88/518204988.db2.gz GYWWFNWCOZHTTC-PZJWPPBQSA-N 2 1 372.476 2.555 20 30 FFEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000584497276 518367087 /nfs/dbraw/zinc/36/70/87/518367087.db2.gz POESSKDLHYDTTP-QGZVFWFLSA-N 2 1 352.486 2.679 20 30 FFEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000583018824 519036863 /nfs/dbraw/zinc/03/68/63/519036863.db2.gz XUEDYWBXGMUCAJ-UXPWSPDFSA-N 2 1 354.498 2.560 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436639 519963309 /nfs/dbraw/zinc/96/33/09/519963309.db2.gz FDRPALFCZZYEDS-KVPLUYHFSA-N 2 1 356.514 2.670 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000594446288 519971065 /nfs/dbraw/zinc/97/10/65/519971065.db2.gz PBISJAZVAWCAEL-FQEVSTJZSA-N 2 1 368.525 2.912 20 30 FFEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000593882658 521270758 /nfs/dbraw/zinc/27/07/58/521270758.db2.gz JMFDZNOEOJOYET-KSZLIROESA-N 2 1 368.525 2.900 20 30 FFEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)c2cccs2)CC1 ZINC000262505419 729667390 /nfs/dbraw/zinc/66/73/90/729667390.db2.gz ZSTLTZQGFJKQKN-JKSUJKDBSA-N 2 1 350.532 2.557 20 30 FFEDMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262806474 729671661 /nfs/dbraw/zinc/67/16/61/729671661.db2.gz SVDVEHUGNOIPJQ-MRXNPFEDSA-N 2 1 354.420 2.997 20 30 FFEDMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262806474 729671662 /nfs/dbraw/zinc/67/16/62/729671662.db2.gz SVDVEHUGNOIPJQ-MRXNPFEDSA-N 2 1 354.420 2.997 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000862276130 730684992 /nfs/dbraw/zinc/68/49/92/730684992.db2.gz ARDBAHGRGUNVBC-MRXNPFEDSA-N 2 1 353.507 2.598 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000900281015 735623301 /nfs/dbraw/zinc/62/33/01/735623301.db2.gz CWDNRQQXUCWKQP-UHFFFAOYSA-N 2 1 351.441 2.553 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000907634554 736650120 /nfs/dbraw/zinc/65/01/20/736650120.db2.gz MXQVKBPYGHGYJI-UHFFFAOYSA-N 2 1 354.292 2.957 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000778170677 738360982 /nfs/dbraw/zinc/36/09/82/738360982.db2.gz URQBCSIGQHBGHD-MRXNPFEDSA-N 2 1 350.890 2.679 20 30 FFEDMP C=CC[C@H]1N(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCC1(C)C ZINC000683559612 961038461 /nfs/dbraw/zinc/03/84/61/961038461.db2.gz PHXWWJJMFRSSBI-PKOBYXMFSA-N 2 1 362.562 2.931 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001104363103 964092344 /nfs/dbraw/zinc/09/23/44/964092344.db2.gz ZASOPIVOAXKWGH-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262011388 965309339 /nfs/dbraw/zinc/30/93/39/965309339.db2.gz WQLMNAAEKOMZFN-SUMWQHHRSA-N 2 1 374.920 2.526 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705428 967541811 /nfs/dbraw/zinc/54/18/11/967541811.db2.gz GNURSFAEDQSPIS-NLWGTHIKSA-N 2 1 360.498 2.978 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705426 967541899 /nfs/dbraw/zinc/54/18/99/967541899.db2.gz GNURSFAEDQSPIS-BJLQDIEVSA-N 2 1 360.498 2.978 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675515 974964604 /nfs/dbraw/zinc/96/46/04/974964604.db2.gz SNSQUWNMEWJISU-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684450 975181821 /nfs/dbraw/zinc/18/18/21/975181821.db2.gz YVQJWAILLPNNIC-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758510 976913724 /nfs/dbraw/zinc/91/37/24/976913724.db2.gz AEGWBDYOITYHET-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758510 976913735 /nfs/dbraw/zinc/91/37/35/976913735.db2.gz AEGWBDYOITYHET-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758510 976913746 /nfs/dbraw/zinc/91/37/46/976913746.db2.gz AEGWBDYOITYHET-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087456146 977794586 /nfs/dbraw/zinc/79/45/86/977794586.db2.gz GNNSYRISOKHDMB-WOJBJXKFSA-N 2 1 371.500 2.914 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087456146 977794595 /nfs/dbraw/zinc/79/45/95/977794595.db2.gz GNNSYRISOKHDMB-WOJBJXKFSA-N 2 1 371.500 2.914 20 30 FFEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000876986308 1014440995 /nfs/dbraw/zinc/44/09/95/1014440995.db2.gz AZHIJGNVQCDOFP-UHFFFAOYSA-N 2 1 365.477 2.531 20 30 FFEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000876986308 1014441002 /nfs/dbraw/zinc/44/10/02/1014441002.db2.gz AZHIJGNVQCDOFP-UHFFFAOYSA-N 2 1 365.477 2.531 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC4CCC(C)CC4)C[C@H]32)CC1 ZINC001076604655 979708773 /nfs/dbraw/zinc/70/87/73/979708773.db2.gz PQEOLQXOUAVWIW-IJZHQTRZSA-N 2 1 371.569 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001029966135 980160108 /nfs/dbraw/zinc/16/01/08/980160108.db2.gz MSPXQPCZDLYHJY-DYESRHJHSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001029966135 980160111 /nfs/dbraw/zinc/16/01/11/980160111.db2.gz MSPXQPCZDLYHJY-DYESRHJHSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001029966135 980160115 /nfs/dbraw/zinc/16/01/15/980160115.db2.gz MSPXQPCZDLYHJY-DYESRHJHSA-N 2 1 368.525 2.569 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088605147 981419818 /nfs/dbraw/zinc/41/98/18/981419818.db2.gz IRAXLGKOIALJPC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088605147 981419823 /nfs/dbraw/zinc/41/98/23/981419823.db2.gz IRAXLGKOIALJPC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088605147 981419826 /nfs/dbraw/zinc/41/98/26/981419826.db2.gz IRAXLGKOIALJPC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620503 981867763 /nfs/dbraw/zinc/86/77/63/981867763.db2.gz NSRMZTHMDRAVSY-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620503 981867768 /nfs/dbraw/zinc/86/77/68/981867768.db2.gz NSRMZTHMDRAVSY-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620503 981867776 /nfs/dbraw/zinc/86/77/76/981867776.db2.gz NSRMZTHMDRAVSY-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620503 981867783 /nfs/dbraw/zinc/86/77/83/981867783.db2.gz NSRMZTHMDRAVSY-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC/C=C\CC)CC2 ZINC001107439912 984540831 /nfs/dbraw/zinc/54/08/31/984540831.db2.gz ZPRNZGBASPHBKF-RRWDMZMKSA-N 2 1 357.542 2.801 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC/C=C\CC)CC2 ZINC001107439912 984540834 /nfs/dbraw/zinc/54/08/34/984540834.db2.gz ZPRNZGBASPHBKF-RRWDMZMKSA-N 2 1 357.542 2.801 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC/C=C\CC)CC2 ZINC001107439912 984540837 /nfs/dbraw/zinc/54/08/37/984540837.db2.gz ZPRNZGBASPHBKF-RRWDMZMKSA-N 2 1 357.542 2.801 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC/C=C\CC)CC2 ZINC001107439912 984540842 /nfs/dbraw/zinc/54/08/42/984540842.db2.gz ZPRNZGBASPHBKF-RRWDMZMKSA-N 2 1 357.542 2.801 20 30 FFEDMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1C#N)CC2 ZINC001107615195 984829249 /nfs/dbraw/zinc/82/92/49/984829249.db2.gz XANDKCRXWGDAAX-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001107615195 984829263 /nfs/dbraw/zinc/82/92/63/984829263.db2.gz XANDKCRXWGDAAX-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001107615195 984829279 /nfs/dbraw/zinc/82/92/79/984829279.db2.gz XANDKCRXWGDAAX-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)c1 ZINC001107632896 984909039 /nfs/dbraw/zinc/90/90/39/984909039.db2.gz CTPCPOAEXVFQJB-IFMALSPDSA-N 2 1 366.509 2.515 20 30 FFEDMP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953043 985403904 /nfs/dbraw/zinc/40/39/04/985403904.db2.gz PETSEPORSIGHFR-ZVDOUQERSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953043 985403908 /nfs/dbraw/zinc/40/39/08/985403908.db2.gz PETSEPORSIGHFR-ZVDOUQERSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953043 985403911 /nfs/dbraw/zinc/40/39/11/985403911.db2.gz PETSEPORSIGHFR-ZVDOUQERSA-N 2 1 365.562 2.670 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001089180882 986511736 /nfs/dbraw/zinc/51/17/36/986511736.db2.gz BETVYDSYRWHGLO-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001089180882 986511742 /nfs/dbraw/zinc/51/17/42/986511742.db2.gz BETVYDSYRWHGLO-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001089180882 986511746 /nfs/dbraw/zinc/51/17/46/986511746.db2.gz BETVYDSYRWHGLO-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386153 988541275 /nfs/dbraw/zinc/54/12/75/988541275.db2.gz CIEQMUPQHJSGNJ-CZYKHXBRSA-N 2 1 356.510 2.658 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033085234 988754433 /nfs/dbraw/zinc/75/44/33/988754433.db2.gz QJFBMCLGLVEAHB-CEXWTWQISA-N 2 1 356.514 2.653 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001005414306 989769587 /nfs/dbraw/zinc/76/95/87/989769587.db2.gz DYCMPAQALXDDDH-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001034217300 989977730 /nfs/dbraw/zinc/97/77/30/989977730.db2.gz QCVDLCYDWJNUFS-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001034217300 989977737 /nfs/dbraw/zinc/97/77/37/989977737.db2.gz QCVDLCYDWJNUFS-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001034217300 989977743 /nfs/dbraw/zinc/97/77/43/989977743.db2.gz QCVDLCYDWJNUFS-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035232282 990431254 /nfs/dbraw/zinc/43/12/54/990431254.db2.gz GGCGDLLQMYJEGN-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035232282 990431256 /nfs/dbraw/zinc/43/12/56/990431256.db2.gz GGCGDLLQMYJEGN-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035232282 990431258 /nfs/dbraw/zinc/43/12/58/990431258.db2.gz GGCGDLLQMYJEGN-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089499200 990649071 /nfs/dbraw/zinc/64/90/71/990649071.db2.gz BSEFLTPEKQWHAE-HBMCJLEFSA-N 2 1 367.537 2.572 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000923336100 991075110 /nfs/dbraw/zinc/07/51/10/991075110.db2.gz QDTDMTAGZJYZEU-LEWJYISDSA-N 2 1 350.466 2.631 20 30 FFEDMP N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000923336100 991075116 /nfs/dbraw/zinc/07/51/16/991075116.db2.gz QDTDMTAGZJYZEU-LEWJYISDSA-N 2 1 350.466 2.631 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483946783 991286030 /nfs/dbraw/zinc/28/60/30/991286030.db2.gz GEBKVUGRMFORFM-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554602 993159756 /nfs/dbraw/zinc/15/97/56/993159756.db2.gz XLSYKUWTHGSOFN-KCZVDYSFSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554602 993159758 /nfs/dbraw/zinc/15/97/58/993159758.db2.gz XLSYKUWTHGSOFN-KCZVDYSFSA-N 2 1 367.537 2.739 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946511 998268439 /nfs/dbraw/zinc/26/84/39/998268439.db2.gz RQPWQEGATMKBCV-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946511 998268454 /nfs/dbraw/zinc/26/84/54/998268454.db2.gz RQPWQEGATMKBCV-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946511 998268463 /nfs/dbraw/zinc/26/84/63/998268463.db2.gz RQPWQEGATMKBCV-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946511 998268474 /nfs/dbraw/zinc/26/84/74/998268474.db2.gz RQPWQEGATMKBCV-AHRSYUTCSA-N 2 1 371.529 2.679 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957776 998353909 /nfs/dbraw/zinc/35/39/09/998353909.db2.gz WKUGTKLFXLLZSH-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957776 998353914 /nfs/dbraw/zinc/35/39/14/998353914.db2.gz WKUGTKLFXLLZSH-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957776 998353921 /nfs/dbraw/zinc/35/39/21/998353921.db2.gz WKUGTKLFXLLZSH-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957776 998353924 /nfs/dbraw/zinc/35/39/24/998353924.db2.gz WKUGTKLFXLLZSH-SQNIBIBYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049606 998782128 /nfs/dbraw/zinc/78/21/28/998782128.db2.gz NSTVWYZXXMHTOO-KSZLIROESA-N 2 1 353.938 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049606 998782135 /nfs/dbraw/zinc/78/21/35/998782135.db2.gz NSTVWYZXXMHTOO-KSZLIROESA-N 2 1 353.938 2.926 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232455 1000373715 /nfs/dbraw/zinc/37/37/15/1000373715.db2.gz SONFOQBSMDEZOQ-YLJYHZDGSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232455 1000373719 /nfs/dbraw/zinc/37/37/19/1000373719.db2.gz SONFOQBSMDEZOQ-YLJYHZDGSA-N 2 1 369.509 2.839 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769396806 1000519295 /nfs/dbraw/zinc/51/92/95/1000519295.db2.gz BLZUECILYGZFHT-IRXDYDNUSA-N 2 1 367.415 2.522 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769396806 1000519298 /nfs/dbraw/zinc/51/92/98/1000519298.db2.gz BLZUECILYGZFHT-IRXDYDNUSA-N 2 1 367.415 2.522 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC3=CCCCC3)C[C@@]2(C)C1 ZINC001091749272 1001209555 /nfs/dbraw/zinc/20/95/55/1001209555.db2.gz HGDJLUPLTCTNPC-GIWBLDEGSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@@]2(C)C1 ZINC001091749272 1001209560 /nfs/dbraw/zinc/20/95/60/1001209560.db2.gz HGDJLUPLTCTNPC-GIWBLDEGSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC3=CCCCC3)C[C@@]2(C)C1 ZINC001091749272 1001209566 /nfs/dbraw/zinc/20/95/66/1001209566.db2.gz HGDJLUPLTCTNPC-GIWBLDEGSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC3=CCCCC3)C[C@@]2(C)C1 ZINC001091749272 1001209570 /nfs/dbraw/zinc/20/95/70/1001209570.db2.gz HGDJLUPLTCTNPC-GIWBLDEGSA-N 2 1 369.553 2.755 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013686 1002287244 /nfs/dbraw/zinc/28/72/44/1002287244.db2.gz WSPGNJZGLGIFQY-JRGCBEDISA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013686 1002287256 /nfs/dbraw/zinc/28/72/56/1002287256.db2.gz WSPGNJZGLGIFQY-JRGCBEDISA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013686 1002287265 /nfs/dbraw/zinc/28/72/65/1002287265.db2.gz WSPGNJZGLGIFQY-JRGCBEDISA-N 2 1 365.537 2.945 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596570 1002628942 /nfs/dbraw/zinc/62/89/42/1002628942.db2.gz IYHRVNMUONQTBG-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596570 1002628946 /nfs/dbraw/zinc/62/89/46/1002628946.db2.gz IYHRVNMUONQTBG-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596570 1002628951 /nfs/dbraw/zinc/62/89/51/1002628951.db2.gz IYHRVNMUONQTBG-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086619354 1003547270 /nfs/dbraw/zinc/54/72/70/1003547270.db2.gz LWCINRWHCYLZGJ-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086619354 1003547276 /nfs/dbraw/zinc/54/72/76/1003547276.db2.gz LWCINRWHCYLZGJ-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001086619354 1003547283 /nfs/dbraw/zinc/54/72/83/1003547283.db2.gz LWCINRWHCYLZGJ-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001086619354 1003547294 /nfs/dbraw/zinc/54/72/94/1003547294.db2.gz LWCINRWHCYLZGJ-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198742340 1004720120 /nfs/dbraw/zinc/72/01/20/1004720120.db2.gz OYIUXJAPLXZTPV-GBESFXJTSA-N 2 1 359.514 2.749 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000808058829 1004744391 /nfs/dbraw/zinc/74/43/91/1004744391.db2.gz XETVHPAGCSPLAI-GOSISDBHSA-N 2 1 373.566 2.682 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852857663 1006210398 /nfs/dbraw/zinc/21/03/98/1006210398.db2.gz AQMVBOLVVVMRAC-GOSISDBHSA-N 2 1 353.510 2.680 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131312388 1006717707 /nfs/dbraw/zinc/71/77/07/1006717707.db2.gz ALANMFUEOSTGAU-GOSISDBHSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131312388 1006717719 /nfs/dbraw/zinc/71/77/19/1006717719.db2.gz ALANMFUEOSTGAU-GOSISDBHSA-N 2 1 350.470 2.500 20 30 FFEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21)[NH+](CC)CC ZINC001189110796 1006889830 /nfs/dbraw/zinc/88/98/30/1006889830.db2.gz SXJRXUYUSVZQPQ-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)CC1 ZINC001116186629 1032179280 /nfs/dbraw/zinc/17/92/80/1032179280.db2.gz ZWVCFBTUTVKFOF-JOCHJYFZSA-N 2 1 367.537 2.953 20 30 FFEDMP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861914 1007543501 /nfs/dbraw/zinc/54/35/01/1007543501.db2.gz IGMOFUIZXAECLM-MBOZVWFJSA-N 2 1 356.514 2.663 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857132931 1008066296 /nfs/dbraw/zinc/06/62/96/1008066296.db2.gz BICZOBMASYNXQX-FQEVSTJZSA-N 2 1 353.510 2.713 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086839491 1008385871 /nfs/dbraw/zinc/38/58/71/1008385871.db2.gz IOXLVLBKDJEKPK-GOEBONIOSA-N 2 1 359.861 2.508 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759008 1008736081 /nfs/dbraw/zinc/73/60/81/1008736081.db2.gz JTHBIARIEFGNLG-NHCUHLMSSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759008 1008736089 /nfs/dbraw/zinc/73/60/89/1008736089.db2.gz JTHBIARIEFGNLG-NHCUHLMSSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759008 1008736101 /nfs/dbraw/zinc/73/61/01/1008736101.db2.gz JTHBIARIEFGNLG-NHCUHLMSSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759008 1008736115 /nfs/dbraw/zinc/73/61/15/1008736115.db2.gz JTHBIARIEFGNLG-NHCUHLMSSA-N 2 1 365.521 2.503 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001178518179 1009014729 /nfs/dbraw/zinc/01/47/29/1009014729.db2.gz JGXQNXNKGUAQNO-TZIWHRDSSA-N 2 1 355.526 2.645 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000103337635 1009814062 /nfs/dbraw/zinc/81/40/62/1009814062.db2.gz AEQXAEHHRBARCN-IBGZPJMESA-N 2 1 356.470 2.790 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000104183246 1009933697 /nfs/dbraw/zinc/93/36/97/1009933697.db2.gz SVTYBNCLHZTRBI-QGZVFWFLSA-N 2 1 371.460 2.902 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2C)CC1 ZINC001093223618 1010167624 /nfs/dbraw/zinc/16/76/24/1010167624.db2.gz CZTAFHBHYXJSME-DENIHFKCSA-N 2 1 367.537 2.524 20 30 FFEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182345748 1010519027 /nfs/dbraw/zinc/51/90/27/1010519027.db2.gz OQDYKWKIFYWTFC-RTWAWAEBSA-N 2 1 355.526 2.974 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001182345748 1010519034 /nfs/dbraw/zinc/51/90/34/1010519034.db2.gz OQDYKWKIFYWTFC-RTWAWAEBSA-N 2 1 355.526 2.974 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001182345748 1010519046 /nfs/dbraw/zinc/51/90/46/1010519046.db2.gz OQDYKWKIFYWTFC-RTWAWAEBSA-N 2 1 355.526 2.974 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276338310 1011943692 /nfs/dbraw/zinc/94/36/92/1011943692.db2.gz HZWVTYDKSITABG-IFMALSPDSA-N 2 1 355.526 2.832 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001275308009 1012259512 /nfs/dbraw/zinc/25/95/12/1012259512.db2.gz JBFUQLCNULICFM-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C#N)c1Cl ZINC001275308009 1012259528 /nfs/dbraw/zinc/25/95/28/1012259528.db2.gz JBFUQLCNULICFM-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000303783209 1012427794 /nfs/dbraw/zinc/42/77/94/1012427794.db2.gz OACDBQWQNBJEPB-BETUJISGSA-N 2 1 374.407 2.811 20 30 FFEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001275743671 1012953016 /nfs/dbraw/zinc/95/30/16/1012953016.db2.gz ULPOYBSVQQUPMF-NRFANRHFSA-N 2 1 360.546 2.727 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221725 1032832479 /nfs/dbraw/zinc/83/24/79/1032832479.db2.gz QXRBJJMWKUVDND-LJQANCHMSA-N 2 1 358.482 2.759 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221725 1032832491 /nfs/dbraw/zinc/83/24/91/1032832491.db2.gz QXRBJJMWKUVDND-LJQANCHMSA-N 2 1 358.482 2.759 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931440289 1020467135 /nfs/dbraw/zinc/46/71/35/1020467135.db2.gz UTHWZBGPKPOHBC-CEXWTWQISA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931440289 1020467140 /nfs/dbraw/zinc/46/71/40/1020467140.db2.gz UTHWZBGPKPOHBC-CEXWTWQISA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931440289 1020467142 /nfs/dbraw/zinc/46/71/42/1020467142.db2.gz UTHWZBGPKPOHBC-CEXWTWQISA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000931440289 1020467146 /nfs/dbraw/zinc/46/71/46/1020467146.db2.gz UTHWZBGPKPOHBC-CEXWTWQISA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931440289 1020467150 /nfs/dbraw/zinc/46/71/50/1020467150.db2.gz UTHWZBGPKPOHBC-CEXWTWQISA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC001118872576 1022451850 /nfs/dbraw/zinc/45/18/50/1022451850.db2.gz CFTZIXKIVDDSMT-OALUTQOASA-N 2 1 366.465 2.578 20 30 FFEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001040415794 1022848540 /nfs/dbraw/zinc/84/85/40/1022848540.db2.gz QWHPPLYSJLDEOH-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001040415794 1022848556 /nfs/dbraw/zinc/84/85/56/1022848556.db2.gz QWHPPLYSJLDEOH-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001040415794 1022848572 /nfs/dbraw/zinc/84/85/72/1022848572.db2.gz QWHPPLYSJLDEOH-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796692 1023374581 /nfs/dbraw/zinc/37/45/81/1023374581.db2.gz OMQVPKRSZPASGM-VSKRKVRLSA-N 2 1 367.537 2.668 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796692 1023374590 /nfs/dbraw/zinc/37/45/90/1023374590.db2.gz OMQVPKRSZPASGM-VSKRKVRLSA-N 2 1 367.537 2.668 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796692 1023374596 /nfs/dbraw/zinc/37/45/96/1023374596.db2.gz OMQVPKRSZPASGM-VSKRKVRLSA-N 2 1 367.537 2.668 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001122631535 1023379919 /nfs/dbraw/zinc/37/99/19/1023379919.db2.gz UQAIOFFTZCLNHJ-KURKYZTESA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001122631535 1023379923 /nfs/dbraw/zinc/37/99/23/1023379923.db2.gz UQAIOFFTZCLNHJ-KURKYZTESA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001122631535 1023379928 /nfs/dbraw/zinc/37/99/28/1023379928.db2.gz UQAIOFFTZCLNHJ-KURKYZTESA-N 2 1 360.550 2.582 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000754106250 1023426463 /nfs/dbraw/zinc/42/64/63/1023426463.db2.gz MHCFSNOIKDWKGE-NRFANRHFSA-N 2 1 367.537 2.893 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000754106250 1023426466 /nfs/dbraw/zinc/42/64/66/1023426466.db2.gz MHCFSNOIKDWKGE-NRFANRHFSA-N 2 1 367.537 2.893 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCC(C)(C)C)[C@H]2C1 ZINC001222913950 1033202006 /nfs/dbraw/zinc/20/20/06/1033202006.db2.gz ZJPQGQHMHOWRCU-AABGKKOBSA-N 2 1 359.558 2.833 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCC(C)(C)C)[C@H]2C1 ZINC001222913950 1033202017 /nfs/dbraw/zinc/20/20/17/1033202017.db2.gz ZJPQGQHMHOWRCU-AABGKKOBSA-N 2 1 359.558 2.833 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC(C)(C)C)[C@H]2C1 ZINC001222913950 1033202028 /nfs/dbraw/zinc/20/20/28/1033202028.db2.gz ZJPQGQHMHOWRCU-AABGKKOBSA-N 2 1 359.558 2.833 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC(C)(C)C)[C@H]2C1 ZINC001222913950 1033202039 /nfs/dbraw/zinc/20/20/39/1033202039.db2.gz ZJPQGQHMHOWRCU-AABGKKOBSA-N 2 1 359.558 2.833 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109578 1025439561 /nfs/dbraw/zinc/43/95/61/1025439561.db2.gz RBBWYBIXPLJIRC-IAGOWNOFSA-N 2 1 362.518 2.780 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109578 1025439569 /nfs/dbraw/zinc/43/95/69/1025439569.db2.gz RBBWYBIXPLJIRC-IAGOWNOFSA-N 2 1 362.518 2.780 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000838623798 1026443884 /nfs/dbraw/zinc/44/38/84/1026443884.db2.gz OIKAEGRYNPCCRR-IBGZPJMESA-N 2 1 362.562 2.628 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1C ZINC001141573201 1026594937 /nfs/dbraw/zinc/59/49/37/1026594937.db2.gz QBDDQCIDQSYOJG-GOSISDBHSA-N 2 1 373.545 2.829 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@@H](C#N)CC2)c1C ZINC001141573201 1026594947 /nfs/dbraw/zinc/59/49/47/1026594947.db2.gz QBDDQCIDQSYOJG-GOSISDBHSA-N 2 1 373.545 2.829 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086868 1026947725 /nfs/dbraw/zinc/94/77/25/1026947725.db2.gz UUPZRTPYEGFURD-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086868 1026947730 /nfs/dbraw/zinc/94/77/30/1026947730.db2.gz UUPZRTPYEGFURD-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086868 1026947736 /nfs/dbraw/zinc/94/77/36/1026947736.db2.gz UUPZRTPYEGFURD-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000840085767 1026950117 /nfs/dbraw/zinc/95/01/17/1026950117.db2.gz HMRQAXGDNRLMCN-FQEVSTJZSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000840085767 1026950127 /nfs/dbraw/zinc/95/01/27/1026950127.db2.gz HMRQAXGDNRLMCN-FQEVSTJZSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000840085767 1026950134 /nfs/dbraw/zinc/95/01/34/1026950134.db2.gz HMRQAXGDNRLMCN-FQEVSTJZSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000840085767 1026950145 /nfs/dbraw/zinc/95/01/45/1026950145.db2.gz HMRQAXGDNRLMCN-FQEVSTJZSA-N 2 1 350.470 2.500 20 30 FFEDMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](C)C ZINC001103112004 1026971631 /nfs/dbraw/zinc/97/16/31/1026971631.db2.gz ZRVVGPMRLSIDGP-QFUCXCTJSA-N 2 1 370.541 2.719 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001103662800 1027921093 /nfs/dbraw/zinc/92/10/93/1027921093.db2.gz RSYHLCLDPBLXTD-IFMALSPDSA-N 2 1 369.553 2.844 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103662800 1027921104 /nfs/dbraw/zinc/92/11/04/1027921104.db2.gz RSYHLCLDPBLXTD-IFMALSPDSA-N 2 1 369.553 2.844 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103662800 1027921112 /nfs/dbraw/zinc/92/11/12/1027921112.db2.gz RSYHLCLDPBLXTD-IFMALSPDSA-N 2 1 369.553 2.844 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001160955452 1027943348 /nfs/dbraw/zinc/94/33/48/1027943348.db2.gz BVJYVAIBSDSCJG-KNQAVFIVSA-N 2 1 371.525 2.816 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001160955453 1027944306 /nfs/dbraw/zinc/94/43/06/1027944306.db2.gz BVJYVAIBSDSCJG-UGKGYDQZSA-N 2 1 371.525 2.816 20 30 FFEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)(COC)CC1 ZINC001162275248 1028486924 /nfs/dbraw/zinc/48/69/24/1028486924.db2.gz HLIBPYMJKNIBCB-RBUKOAKNSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162810841 1028664710 /nfs/dbraw/zinc/66/47/10/1028664710.db2.gz RUEBUQABSCPXTM-TZIWHRDSSA-N 2 1 357.542 2.954 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001164578451 1029328232 /nfs/dbraw/zinc/32/82/32/1029328232.db2.gz ARTAKJWNIOTIOW-VQTJNVASSA-N 2 1 368.525 2.665 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213512 1030256337 /nfs/dbraw/zinc/25/63/37/1030256337.db2.gz MYIQSBRYAUEKFX-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004339 1033452987 /nfs/dbraw/zinc/45/29/87/1033452987.db2.gz GVVAPADXEHYNNK-RBUKOAKNSA-N 2 1 353.551 2.600 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004339 1033452999 /nfs/dbraw/zinc/45/29/99/1033452999.db2.gz GVVAPADXEHYNNK-RBUKOAKNSA-N 2 1 353.551 2.600 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004339 1033453004 /nfs/dbraw/zinc/45/30/04/1033453004.db2.gz GVVAPADXEHYNNK-RBUKOAKNSA-N 2 1 353.551 2.600 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223904404 1033639835 /nfs/dbraw/zinc/63/98/35/1033639835.db2.gz RXXHEQLYIDUDKH-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223904404 1033639839 /nfs/dbraw/zinc/63/98/39/1033639839.db2.gz RXXHEQLYIDUDKH-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904404 1033639842 /nfs/dbraw/zinc/63/98/42/1033639842.db2.gz RXXHEQLYIDUDKH-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904404 1033639847 /nfs/dbraw/zinc/63/98/47/1033639847.db2.gz RXXHEQLYIDUDKH-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482394 1034210422 /nfs/dbraw/zinc/21/04/22/1034210422.db2.gz QDDSRNDDRZPNPF-MSOLQXFVSA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482394 1034210430 /nfs/dbraw/zinc/21/04/30/1034210430.db2.gz QDDSRNDDRZPNPF-MSOLQXFVSA-N 2 1 364.534 2.528 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001220726351 1034358639 /nfs/dbraw/zinc/35/86/39/1034358639.db2.gz SYWAICSBNHHASH-AQNXPRMDSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001220726351 1034358651 /nfs/dbraw/zinc/35/86/51/1034358651.db2.gz SYWAICSBNHHASH-AQNXPRMDSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001220726351 1034358664 /nfs/dbraw/zinc/35/86/64/1034358664.db2.gz SYWAICSBNHHASH-AQNXPRMDSA-N 2 1 365.562 2.549 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277084065 1034454762 /nfs/dbraw/zinc/45/47/62/1034454762.db2.gz UYSGFCIRGJAISS-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277084065 1034454766 /nfs/dbraw/zinc/45/47/66/1034454766.db2.gz UYSGFCIRGJAISS-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001229860347 1036941071 /nfs/dbraw/zinc/94/10/71/1036941071.db2.gz RXOLENBKSWZLBC-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP C=CCN(CC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1)C(=O)OCC ZINC001235367368 1037510637 /nfs/dbraw/zinc/51/06/37/1037510637.db2.gz SMOKUURCXBEWGW-IFMALSPDSA-N 2 1 371.525 2.884 20 30 FFEDMP C=CCN(CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1)C(=O)OCC ZINC001235367368 1037510642 /nfs/dbraw/zinc/51/06/42/1037510642.db2.gz SMOKUURCXBEWGW-IFMALSPDSA-N 2 1 371.525 2.884 20 30 FFEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001277611696 1038191086 /nfs/dbraw/zinc/19/10/86/1038191086.db2.gz LMLBTBPOIJDVKR-OAQYLSRUSA-N 2 1 359.489 2.888 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccc3[O-])C2)C1 ZINC001278894532 1038232065 /nfs/dbraw/zinc/23/20/65/1038232065.db2.gz DTWWIYMXQZQEKT-OAQYLSRUSA-N 2 1 356.514 2.503 20 30 FFEDMP COc1cccc(OC)c1C[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001255924552 1038252521 /nfs/dbraw/zinc/25/25/21/1038252521.db2.gz FEVJFUJLCBPXAP-UHFFFAOYSA-N 2 1 372.444 2.608 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488101 1038922257 /nfs/dbraw/zinc/92/22/57/1038922257.db2.gz IFBJLFMVRSTMEV-WOJBJXKFSA-N 2 1 367.578 2.896 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488101 1038922269 /nfs/dbraw/zinc/92/22/69/1038922269.db2.gz IFBJLFMVRSTMEV-WOJBJXKFSA-N 2 1 367.578 2.896 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001214879467 1041605117 /nfs/dbraw/zinc/60/51/17/1041605117.db2.gz ZKNOHPLQRMSGJQ-FEVLQLCVSA-N 2 1 365.521 2.624 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001214879467 1041605121 /nfs/dbraw/zinc/60/51/21/1041605121.db2.gz ZKNOHPLQRMSGJQ-FEVLQLCVSA-N 2 1 365.521 2.624 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001263287821 1042222495 /nfs/dbraw/zinc/22/24/95/1042222495.db2.gz VDYQVZAQMMGKHY-QGZVFWFLSA-N 2 1 371.533 2.522 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001263905252 1042522750 /nfs/dbraw/zinc/52/27/50/1042522750.db2.gz REYUTLLYLLMIRR-PWRODBHTSA-N 2 1 368.525 2.807 20 30 FFEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001265394807 1042857895 /nfs/dbraw/zinc/85/78/95/1042857895.db2.gz JIMWQAZQGYHXLQ-FCEUIQTBSA-N 2 1 367.537 2.526 20 30 FFEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265394807 1042857899 /nfs/dbraw/zinc/85/78/99/1042857899.db2.gz JIMWQAZQGYHXLQ-FCEUIQTBSA-N 2 1 367.537 2.526 20 30 FFEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265394807 1042857901 /nfs/dbraw/zinc/85/79/01/1042857901.db2.gz JIMWQAZQGYHXLQ-FCEUIQTBSA-N 2 1 367.537 2.526 20 30 FFEDMP Cc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)o1 ZINC001279496258 1043184317 /nfs/dbraw/zinc/18/43/17/1043184317.db2.gz JJXXPORXUHIRPZ-UXHICEINSA-N 2 1 353.470 2.918 20 30 FFEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@H](CC(=O)N(C)CC[NH+](CC)CC)O[C@H]2C1 ZINC001279719635 1043524209 /nfs/dbraw/zinc/52/42/09/1043524209.db2.gz DCOHVCGVKLVHBW-AQNXPRMDSA-N 2 1 365.562 2.622 20 30 FFEDMP Cn1cc(C[N@H+]2CCC[C@]3(CCCN(CCC[NH+](C)C)C3)C2)cc1C#N ZINC001280220858 1044415229 /nfs/dbraw/zinc/41/52/29/1044415229.db2.gz JYSKPIKJSPAHDQ-NRFANRHFSA-N 2 1 357.546 2.526 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001280813941 1044740573 /nfs/dbraw/zinc/74/05/73/1044740573.db2.gz JUAVIZSNNXKWQJ-ZWKOTPCHSA-N 2 1 362.543 2.630 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001280813941 1044740588 /nfs/dbraw/zinc/74/05/88/1044740588.db2.gz JUAVIZSNNXKWQJ-ZWKOTPCHSA-N 2 1 362.543 2.630 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001280813941 1044740601 /nfs/dbraw/zinc/74/06/01/1044740601.db2.gz JUAVIZSNNXKWQJ-ZWKOTPCHSA-N 2 1 362.543 2.630 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001357159726 1055798601 /nfs/dbraw/zinc/79/86/01/1055798601.db2.gz LEHHQXCQWXAPFC-SFHVURJKSA-N 2 1 374.577 2.974 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC001353316615 1056291303 /nfs/dbraw/zinc/29/13/03/1056291303.db2.gz PLSAHPFTKHCKIO-KRWDZBQOSA-N 2 1 370.415 2.522 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001505813290 1059404027 /nfs/dbraw/zinc/40/40/27/1059404027.db2.gz MKWHCHGMJIJHPA-VQTJNVASSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001479647588 1062730150 /nfs/dbraw/zinc/73/01/50/1062730150.db2.gz VCOFLMGKRCVYOI-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001479647588 1062730168 /nfs/dbraw/zinc/73/01/68/1062730168.db2.gz VCOFLMGKRCVYOI-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001479647588 1062730188 /nfs/dbraw/zinc/73/01/88/1062730188.db2.gz VCOFLMGKRCVYOI-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001479647588 1062730207 /nfs/dbraw/zinc/73/02/07/1062730207.db2.gz VCOFLMGKRCVYOI-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP C#CC[NH2+]CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001574735563 1078076950 /nfs/dbraw/zinc/07/69/50/1078076950.db2.gz BFNKPXQQKNRNHK-HXUWFJFHSA-N 2 1 357.498 2.627 20 30 FFEDMP C#CC[NH2+]CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001574735563 1078076952 /nfs/dbraw/zinc/07/69/52/1078076952.db2.gz BFNKPXQQKNRNHK-HXUWFJFHSA-N 2 1 357.498 2.627 20 30 FFEDMP C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CC[NH2+]CC2)O1 ZINC001576801033 1078276409 /nfs/dbraw/zinc/27/64/09/1078276409.db2.gz PNNAHWQZEKEXOI-HNNXBMFYSA-N 2 1 352.400 2.900 20 30 FFEDMP C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CC[NH2+]CC2)O1 ZINC001576801033 1078276411 /nfs/dbraw/zinc/27/64/11/1078276411.db2.gz PNNAHWQZEKEXOI-HNNXBMFYSA-N 2 1 352.400 2.900 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001562240419 1076484504 /nfs/dbraw/zinc/48/45/04/1076484504.db2.gz IAGMNAXRPFXLBN-OAQYLSRUSA-N 2 1 368.525 2.934 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001562240419 1076484507 /nfs/dbraw/zinc/48/45/07/1076484507.db2.gz IAGMNAXRPFXLBN-OAQYLSRUSA-N 2 1 368.525 2.934 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076984253 508271210 /nfs/dbraw/zinc/27/12/10/508271210.db2.gz JUHSUBHVCJLUQZ-GOSISDBHSA-N 2 1 356.514 2.553 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000076984253 508271212 /nfs/dbraw/zinc/27/12/12/508271212.db2.gz JUHSUBHVCJLUQZ-GOSISDBHSA-N 2 1 356.514 2.553 20 30 FFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000156657829 508457734 /nfs/dbraw/zinc/45/77/34/508457734.db2.gz NRDQDYSBWXNFAW-SVMVAKDDSA-N 2 1 371.525 2.803 20 30 FFEDMP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1ccnc1 ZINC000129336511 508714696 /nfs/dbraw/zinc/71/46/96/508714696.db2.gz NHLPPVCPTJANAW-BMFZPTHFSA-N 2 1 355.467 2.505 20 30 FFEDMP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1ccnc1 ZINC000129336511 508714698 /nfs/dbraw/zinc/71/46/98/508714698.db2.gz NHLPPVCPTJANAW-BMFZPTHFSA-N 2 1 355.467 2.505 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621681 509337747 /nfs/dbraw/zinc/33/77/47/509337747.db2.gz LKFULTKWKQHDOX-ZWKOTPCHSA-N 2 1 362.562 2.979 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248730768 509456719 /nfs/dbraw/zinc/45/67/19/509456719.db2.gz DEYBPWAVOLMCBA-WIYYLYMNSA-N 2 1 370.541 2.847 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000171727372 510333865 /nfs/dbraw/zinc/33/38/65/510333865.db2.gz VLIBKSQHRANESN-NRFANRHFSA-N 2 1 370.541 2.991 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262800603 510417117 /nfs/dbraw/zinc/41/71/17/510417117.db2.gz QUKSNCKIIFGGIE-ZBFHGGJFSA-N 2 1 353.470 2.632 20 30 FFEDMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1C#N ZINC000191338293 510611605 /nfs/dbraw/zinc/61/16/05/510611605.db2.gz MIDGZURHCUEUPE-JOCHJYFZSA-N 2 1 366.509 2.774 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246795092 510679117 /nfs/dbraw/zinc/67/91/17/510679117.db2.gz HZQWLASENRUZJL-SJORKVTESA-N 2 1 360.477 2.734 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000287598972 511053323 /nfs/dbraw/zinc/05/33/23/511053323.db2.gz ZBIDIDBMQYUXOP-UHFFFAOYSA-N 2 1 362.518 2.783 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298968622 511469340 /nfs/dbraw/zinc/46/93/40/511469340.db2.gz PBTKFPNHMQQYDI-ZVZYQTTQSA-N 2 1 372.538 2.968 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298968622 511469346 /nfs/dbraw/zinc/46/93/46/511469346.db2.gz PBTKFPNHMQQYDI-ZVZYQTTQSA-N 2 1 372.538 2.968 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288639 511490952 /nfs/dbraw/zinc/49/09/52/511490952.db2.gz FIFHNLOJTMAQGC-UYAOXDASSA-N 2 1 370.541 2.847 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897192 511763170 /nfs/dbraw/zinc/76/31/70/511763170.db2.gz GHTHHALPRKZWSU-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(OC)c1 ZINC000292897192 511763174 /nfs/dbraw/zinc/76/31/74/511763174.db2.gz GHTHHALPRKZWSU-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897192 511763188 /nfs/dbraw/zinc/76/31/88/511763188.db2.gz GHTHHALPRKZWSU-UGKGYDQZSA-N 2 1 374.525 2.581 20 30 FFEDMP Cc1cccnc1OC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329770650 512095609 /nfs/dbraw/zinc/09/56/09/512095609.db2.gz GFCLCYHTIDEUHA-UHFFFAOYSA-N 2 1 372.513 2.817 20 30 FFEDMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000329790798 512098350 /nfs/dbraw/zinc/09/83/50/512098350.db2.gz DAPRLRSJEYUTLT-ZCNNSNEGSA-N 2 1 363.546 2.975 20 30 FFEDMP C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705503 513061429 /nfs/dbraw/zinc/06/14/29/513061429.db2.gz HEYHHYMFCZZPOK-SIKLNZKXSA-N 2 1 370.541 2.827 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705503 513061433 /nfs/dbraw/zinc/06/14/33/513061433.db2.gz HEYHHYMFCZZPOK-SIKLNZKXSA-N 2 1 370.541 2.827 20 30 FFEDMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000442778149 513778336 /nfs/dbraw/zinc/77/83/36/513778336.db2.gz KBODDLZMCYOKGO-HKUYNNGSSA-N 2 1 357.498 2.958 20 30 FFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000472284958 515202367 /nfs/dbraw/zinc/20/23/67/515202367.db2.gz BZTCXTWNKDRICB-GOSISDBHSA-N 2 1 369.469 2.541 20 30 FFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000472284958 515202377 /nfs/dbraw/zinc/20/23/77/515202377.db2.gz BZTCXTWNKDRICB-GOSISDBHSA-N 2 1 369.469 2.541 20 30 FFEDMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000511992258 516106342 /nfs/dbraw/zinc/10/63/42/516106342.db2.gz UDGHPBXZVSBPID-UHFFFAOYSA-N 2 1 371.510 2.951 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000519600424 517071393 /nfs/dbraw/zinc/07/13/93/517071393.db2.gz WSCGAHCTUDMYLL-HNNXBMFYSA-N 2 1 359.297 2.973 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107740 517085531 /nfs/dbraw/zinc/08/55/31/517085531.db2.gz SPIOJYLDKFJJNL-CTNGQTDRSA-N 2 1 368.525 2.639 20 30 FFEDMP C[N@H+]1CCC[C@H](CNCc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420874 518745535 /nfs/dbraw/zinc/74/55/35/518745535.db2.gz NAPDZYTZPSIITB-CRAIPNDOSA-N 2 1 366.494 2.835 20 30 FFEDMP CN1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420874 518745537 /nfs/dbraw/zinc/74/55/37/518745537.db2.gz NAPDZYTZPSIITB-CRAIPNDOSA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420874 518745544 /nfs/dbraw/zinc/74/55/44/518745544.db2.gz NAPDZYTZPSIITB-CRAIPNDOSA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420874 518745550 /nfs/dbraw/zinc/74/55/50/518745550.db2.gz NAPDZYTZPSIITB-CRAIPNDOSA-N 2 1 366.494 2.835 20 30 FFEDMP N#Cc1ccc(NC(=O)CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000571689847 519223052 /nfs/dbraw/zinc/22/30/52/519223052.db2.gz UJBHUJCPLSQFLU-NHCUHLMSSA-N 2 1 374.488 2.951 20 30 FFEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878141 519944788 /nfs/dbraw/zinc/94/47/88/519944788.db2.gz WFEAMRRWBZDXJB-CQSZACIVSA-N 2 1 360.889 2.956 20 30 FFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600717142 520417749 /nfs/dbraw/zinc/41/77/49/520417749.db2.gz OCHCMFJENJGUBB-NRFANRHFSA-N 2 1 367.493 2.928 20 30 FFEDMP Cn1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595908174 520813983 /nfs/dbraw/zinc/81/39/83/520813983.db2.gz ZJRSUNBGHDDEEH-HXUWFJFHSA-N 2 1 367.497 2.501 20 30 FFEDMP Cn1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595908174 520813986 /nfs/dbraw/zinc/81/39/86/520813986.db2.gz ZJRSUNBGHDDEEH-HXUWFJFHSA-N 2 1 367.497 2.501 20 30 FFEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC000602139438 521167755 /nfs/dbraw/zinc/16/77/55/521167755.db2.gz FFPDQDIKFPBCAX-UHFFFAOYSA-N 2 1 356.514 2.639 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365506 521176787 /nfs/dbraw/zinc/17/67/87/521176787.db2.gz DOTVTUJEICLZQW-TYPHKJRUSA-N 2 1 371.525 2.558 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593883552 521271922 /nfs/dbraw/zinc/27/19/22/521271922.db2.gz PVMQTYBHTCYJEC-FQEVSTJZSA-N 2 1 354.498 2.513 20 30 FFEDMP C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000593967737 521319735 /nfs/dbraw/zinc/31/97/35/521319735.db2.gz XHJRSXHMWDKQRA-MRXNPFEDSA-N 2 1 363.465 2.522 20 30 FFEDMP N#CC1(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000602522947 521394036 /nfs/dbraw/zinc/39/40/36/521394036.db2.gz WHAMYHNLMRPCPY-UHFFFAOYSA-N 2 1 368.525 2.960 20 30 FFEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903809 607562664 /nfs/dbraw/zinc/56/26/64/607562664.db2.gz LDWVYDSCLIVLKD-UHFFFAOYSA-N 2 1 351.458 2.840 20 30 FFEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903809 607562667 /nfs/dbraw/zinc/56/26/67/607562667.db2.gz LDWVYDSCLIVLKD-UHFFFAOYSA-N 2 1 351.458 2.840 20 30 FFEDMP COCC[N@H+]1CCC[C@H]1CNC(NCCc1cccs1)=[NH+]C(C)(C)C ZINC000912505798 737315099 /nfs/dbraw/zinc/31/50/99/737315099.db2.gz GDPFZBFZMWBMOG-INIZCTEOSA-N 2 1 366.575 2.735 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000876781510 732280880 /nfs/dbraw/zinc/28/08/80/732280880.db2.gz HMGZMAJFBHGKIU-CQSZACIVSA-N 2 1 357.285 2.500 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000778170676 738361017 /nfs/dbraw/zinc/36/10/17/738361017.db2.gz URQBCSIGQHBGHD-INIZCTEOSA-N 2 1 350.890 2.679 20 30 FFEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046942071 743340488 /nfs/dbraw/zinc/34/04/88/743340488.db2.gz STKRGVRLPAGXAX-YESZJQIVSA-N 2 1 357.489 2.756 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046942071 743340493 /nfs/dbraw/zinc/34/04/93/743340493.db2.gz STKRGVRLPAGXAX-YESZJQIVSA-N 2 1 357.489 2.756 20 30 FFEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046942071 743340501 /nfs/dbraw/zinc/34/05/01/743340501.db2.gz STKRGVRLPAGXAX-YESZJQIVSA-N 2 1 357.489 2.756 20 30 FFEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001275834161 1013056220 /nfs/dbraw/zinc/05/62/20/1013056220.db2.gz XVGMHQYBHSCNOW-NRFANRHFSA-N 2 1 360.546 2.727 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001104937871 971184068 /nfs/dbraw/zinc/18/40/68/971184068.db2.gz KMAZTJJQLILKCB-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105096880 971513587 /nfs/dbraw/zinc/51/35/87/971513587.db2.gz BAWYIZNALHUZNE-VQIMIIECSA-N 2 1 363.933 2.945 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105096880 971513596 /nfs/dbraw/zinc/51/35/96/971513596.db2.gz BAWYIZNALHUZNE-VQIMIIECSA-N 2 1 363.933 2.945 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880725 1013130963 /nfs/dbraw/zinc/13/09/63/1013130963.db2.gz WAZAKZFGCWZHED-AVRDEDQJSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880725 1013130969 /nfs/dbraw/zinc/13/09/69/1013130969.db2.gz WAZAKZFGCWZHED-AVRDEDQJSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880725 1013130977 /nfs/dbraw/zinc/13/09/77/1013130977.db2.gz WAZAKZFGCWZHED-AVRDEDQJSA-N 2 1 353.510 2.895 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2C#N)CC[N@H+]1C ZINC001021261801 961348171 /nfs/dbraw/zinc/34/81/71/961348171.db2.gz CAAWFMSJZSSXGK-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167962649 964960373 /nfs/dbraw/zinc/96/03/73/964960373.db2.gz ZVTVCVFZCPMHGL-UDEWTMQYSA-N 2 1 367.537 2.887 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087236222 967471136 /nfs/dbraw/zinc/47/11/36/967471136.db2.gz MSIPLQXFALDIDY-OPYAIIAOSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001023371770 967754242 /nfs/dbraw/zinc/75/42/42/967754242.db2.gz FBKZGCWIKFXJJL-PCCBWWKXSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC=C(C)C)C1 ZINC001211618134 968060839 /nfs/dbraw/zinc/06/08/39/968060839.db2.gz CVQYOAWCKGPADO-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC=C(C)C)C1 ZINC001211618134 968060845 /nfs/dbraw/zinc/06/08/45/968060845.db2.gz CVQYOAWCKGPADO-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2CC)CC[NH+]1C ZINC001087578555 968235637 /nfs/dbraw/zinc/23/56/37/968235637.db2.gz BDVVOMVRDYHCLL-UWHLTILDSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2CC)CC[NH+]1C ZINC001087578555 968235643 /nfs/dbraw/zinc/23/56/43/968235643.db2.gz BDVVOMVRDYHCLL-UWHLTILDSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1Cc1ccccc1C#N ZINC001087578555 968235653 /nfs/dbraw/zinc/23/56/53/968235653.db2.gz BDVVOMVRDYHCLL-UWHLTILDSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1Cc1ccccc1C#N ZINC001087578555 968235660 /nfs/dbraw/zinc/23/56/60/968235660.db2.gz BDVVOMVRDYHCLL-UWHLTILDSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001023996142 968400368 /nfs/dbraw/zinc/40/03/68/968400368.db2.gz VDTTZSCPKFJVOH-PCCBWWKXSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087735400 968819776 /nfs/dbraw/zinc/81/97/76/968819776.db2.gz INAKVRMDRHOFOK-IVAOSVALSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087735400 968819782 /nfs/dbraw/zinc/81/97/82/968819782.db2.gz INAKVRMDRHOFOK-IVAOSVALSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087735400 968819789 /nfs/dbraw/zinc/81/97/89/968819789.db2.gz INAKVRMDRHOFOK-IVAOSVALSA-N 2 1 355.526 2.877 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087749938 968891934 /nfs/dbraw/zinc/89/19/34/968891934.db2.gz JFIMABQJSPWCCT-FCHUYYIVSA-N 2 1 367.537 2.739 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001481112910 970096444 /nfs/dbraw/zinc/09/64/44/970096444.db2.gz UKAZNFCNAOSAOT-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001481112910 970096453 /nfs/dbraw/zinc/09/64/53/970096453.db2.gz UKAZNFCNAOSAOT-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001481112910 970096462 /nfs/dbraw/zinc/09/64/62/970096462.db2.gz UKAZNFCNAOSAOT-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCN(CC=C)CCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167833637 976342393 /nfs/dbraw/zinc/34/23/93/976342393.db2.gz CSGWWTJVXSBXOV-OAQYLSRUSA-N 2 1 350.595 2.789 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000843696360 977456705 /nfs/dbraw/zinc/45/67/05/977456705.db2.gz TYAAAWSXUAYGPI-JOCHJYFZSA-N 2 1 367.537 2.843 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087460188 978001902 /nfs/dbraw/zinc/00/19/02/978001902.db2.gz UVOOGOMSWVAMCI-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087462791 978130514 /nfs/dbraw/zinc/13/05/14/978130514.db2.gz AJIHXWQMACEPHU-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087462791 978130519 /nfs/dbraw/zinc/13/05/19/978130519.db2.gz AJIHXWQMACEPHU-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087462791 978130522 /nfs/dbraw/zinc/13/05/22/978130522.db2.gz AJIHXWQMACEPHU-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP CCCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)N(C)CC[NH+](CC)CC)O2 ZINC001279866481 978302026 /nfs/dbraw/zinc/30/20/26/978302026.db2.gz MRACNKYAQNQOPQ-LJQANCHMSA-N 2 1 367.578 2.990 20 30 FFEDMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501009 /nfs/dbraw/zinc/50/10/09/1014501009.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 2 1 357.498 2.912 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001088318191 979144021 /nfs/dbraw/zinc/14/40/21/979144021.db2.gz ZYMDKSUPNZKEQG-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001029920196 979816963 /nfs/dbraw/zinc/81/69/63/979816963.db2.gz QJPISQNQVLAJOP-BHIFYINESA-N 2 1 367.537 2.843 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001029920196 979816969 /nfs/dbraw/zinc/81/69/69/979816969.db2.gz QJPISQNQVLAJOP-BHIFYINESA-N 2 1 367.537 2.843 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001029920196 979816975 /nfs/dbraw/zinc/81/69/75/979816975.db2.gz QJPISQNQVLAJOP-BHIFYINESA-N 2 1 367.537 2.843 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001029920196 979816980 /nfs/dbraw/zinc/81/69/80/979816980.db2.gz QJPISQNQVLAJOP-BHIFYINESA-N 2 1 367.537 2.843 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC#Cc2ccccc2)CC[N@H+]1C ZINC000968867556 1014604888 /nfs/dbraw/zinc/60/48/88/1014604888.db2.gz ZMNSVIFHZYEPTR-CEMLEFRQSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC000968867556 1014604894 /nfs/dbraw/zinc/60/48/94/1014604894.db2.gz ZMNSVIFHZYEPTR-CEMLEFRQSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC000968867556 1014604901 /nfs/dbraw/zinc/60/49/01/1014604901.db2.gz ZMNSVIFHZYEPTR-CEMLEFRQSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000968867552 1014604966 /nfs/dbraw/zinc/60/49/66/1014604966.db2.gz ZJOOOSMSBJKWJM-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC000968867552 1014604976 /nfs/dbraw/zinc/60/49/76/1014604976.db2.gz ZJOOOSMSBJKWJM-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC000968867552 1014604979 /nfs/dbraw/zinc/60/49/79/1014604979.db2.gz ZJOOOSMSBJKWJM-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206252 980135401 /nfs/dbraw/zinc/13/54/01/980135401.db2.gz KXNXCWTYWRBZCF-BZUAXINKSA-N 2 1 363.468 2.887 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605175 981419930 /nfs/dbraw/zinc/41/99/30/981419930.db2.gz JTQGHXUJWPGKNC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605175 981419936 /nfs/dbraw/zinc/41/99/36/981419936.db2.gz JTQGHXUJWPGKNC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605175 981419941 /nfs/dbraw/zinc/41/99/41/981419941.db2.gz JTQGHXUJWPGKNC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605175 981419947 /nfs/dbraw/zinc/41/99/47/981419947.db2.gz JTQGHXUJWPGKNC-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723021 1014750169 /nfs/dbraw/zinc/75/01/69/1014750169.db2.gz GIJJOYKSOGFGHA-OTWHNJEPSA-N 2 1 360.498 2.990 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693404 982798198 /nfs/dbraw/zinc/79/81/98/982798198.db2.gz YEGOWMQLVSDRHS-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693404 982798201 /nfs/dbraw/zinc/79/82/01/982798201.db2.gz YEGOWMQLVSDRHS-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693404 982798204 /nfs/dbraw/zinc/79/82/04/982798204.db2.gz YEGOWMQLVSDRHS-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088693404 982798213 /nfs/dbraw/zinc/79/82/13/982798213.db2.gz YEGOWMQLVSDRHS-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP COCC[N@H+]1CCC[C@@H]1CNC(NCCc1ccccc1)=[NH+]C(C)(C)C ZINC000912506605 984050749 /nfs/dbraw/zinc/05/07/49/984050749.db2.gz RGBGTTGDFFFQBI-LJQANCHMSA-N 2 1 360.546 2.674 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107651886 984929667 /nfs/dbraw/zinc/92/96/67/984929667.db2.gz NBPPOPVFZWBBPL-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107651886 984929670 /nfs/dbraw/zinc/92/96/70/984929670.db2.gz NBPPOPVFZWBBPL-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107651886 984929675 /nfs/dbraw/zinc/92/96/75/984929675.db2.gz NBPPOPVFZWBBPL-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)Cc3ccccc3)CCC[C@@H]12 ZINC001107651886 984929680 /nfs/dbraw/zinc/92/96/80/984929680.db2.gz NBPPOPVFZWBBPL-IFMALSPDSA-N 2 1 353.510 2.503 20 30 FFEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173430387 985829562 /nfs/dbraw/zinc/82/95/62/985829562.db2.gz NBVKJUZTYQVNKH-SFHVURJKSA-N 2 1 352.486 2.746 20 30 FFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173430387 985829572 /nfs/dbraw/zinc/82/95/72/985829572.db2.gz NBVKJUZTYQVNKH-SFHVURJKSA-N 2 1 352.486 2.746 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CF)cc3)[C@@H]2C)CC1 ZINC001089059816 986141295 /nfs/dbraw/zinc/14/12/95/986141295.db2.gz CUJIQMFMKVXJDV-UTKZUKDTSA-N 2 1 371.500 2.580 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085196574 988668718 /nfs/dbraw/zinc/66/87/18/988668718.db2.gz FPSNWLXFHMIMJV-NJDAHSKKSA-N 2 1 368.525 2.948 20 30 FFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804494 989174715 /nfs/dbraw/zinc/17/47/15/989174715.db2.gz WQUKBSUKDJSILP-KZNAEPCWSA-N 2 1 367.497 2.920 20 30 FFEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409081 990053851 /nfs/dbraw/zinc/05/38/51/990053851.db2.gz AXYRZHORKDLHRK-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409081 990053855 /nfs/dbraw/zinc/05/38/55/990053855.db2.gz AXYRZHORKDLHRK-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409081 990053859 /nfs/dbraw/zinc/05/38/59/990053859.db2.gz AXYRZHORKDLHRK-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCOc1ccc([C@@H](C)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136475 990252204 /nfs/dbraw/zinc/25/22/04/990252204.db2.gz SHLQBHSHOWMKCD-AUSIDOKSSA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136475 990252210 /nfs/dbraw/zinc/25/22/10/990252210.db2.gz SHLQBHSHOWMKCD-AUSIDOKSSA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136475 990252216 /nfs/dbraw/zinc/25/22/16/990252216.db2.gz SHLQBHSHOWMKCD-AUSIDOKSSA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136475 990252222 /nfs/dbraw/zinc/25/22/22/990252222.db2.gz SHLQBHSHOWMKCD-AUSIDOKSSA-N 2 1 364.489 2.986 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000923382529 991106102 /nfs/dbraw/zinc/10/61/02/991106102.db2.gz CHNJTXZDYYAAJE-PKOBYXMFSA-N 2 1 374.525 2.627 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153335 991819061 /nfs/dbraw/zinc/81/90/61/991819061.db2.gz APHLEGVKDQNYBY-VQTJNVASSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698032 992336016 /nfs/dbraw/zinc/33/60/16/992336016.db2.gz HIPZAHQBPFRDOF-YLJYHZDGSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133508 /nfs/dbraw/zinc/13/35/08/994133508.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133515 /nfs/dbraw/zinc/13/35/15/994133515.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133523 /nfs/dbraw/zinc/13/35/23/994133523.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C[NH+]1CCCC1)c1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001206094842 1032140991 /nfs/dbraw/zinc/14/09/91/1032140991.db2.gz XNTCYJAZOYQOOC-UHFFFAOYSA-N 2 1 367.497 2.593 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000731833932 998287347 /nfs/dbraw/zinc/28/73/47/998287347.db2.gz LQCGXSXSHXXYKD-QUCCMNQESA-N 2 1 353.510 2.864 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000731833932 998287357 /nfs/dbraw/zinc/28/73/57/998287357.db2.gz LQCGXSXSHXXYKD-QUCCMNQESA-N 2 1 353.510 2.864 20 30 FFEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745464 1016238666 /nfs/dbraw/zinc/23/86/66/1016238666.db2.gz FXKIUFUJRXIHAE-ANULTFPQSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745464 1016238679 /nfs/dbraw/zinc/23/86/79/1016238679.db2.gz FXKIUFUJRXIHAE-ANULTFPQSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049745464 1016238684 /nfs/dbraw/zinc/23/86/84/1016238684.db2.gz FXKIUFUJRXIHAE-ANULTFPQSA-N 2 1 353.510 2.583 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC4CCCCC4)[C@H]3C2)CC1 ZINC001085100552 998944578 /nfs/dbraw/zinc/94/45/78/998944578.db2.gz LRWXTKVAEWWCMB-IRLDBZIGSA-N 2 1 371.569 2.835 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085245239 999244250 /nfs/dbraw/zinc/24/42/50/999244250.db2.gz PYWKJRXJEYKPPB-KURKYZTESA-N 2 1 360.527 2.621 20 30 FFEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001096608079 1016346715 /nfs/dbraw/zinc/34/67/15/1016346715.db2.gz PIEMXMGGRCWDPC-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001096608079 1016346727 /nfs/dbraw/zinc/34/67/27/1016346727.db2.gz PIEMXMGGRCWDPC-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001096608079 1016346738 /nfs/dbraw/zinc/34/67/38/1016346738.db2.gz PIEMXMGGRCWDPC-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001096608079 1016346753 /nfs/dbraw/zinc/34/67/53/1016346753.db2.gz PIEMXMGGRCWDPC-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109726016 1000903702 /nfs/dbraw/zinc/90/37/02/1000903702.db2.gz AIFDCXAMUJVRHF-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109726016 1000903704 /nfs/dbraw/zinc/90/37/04/1000903704.db2.gz AIFDCXAMUJVRHF-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109726016 1000903709 /nfs/dbraw/zinc/90/37/09/1000903709.db2.gz AIFDCXAMUJVRHF-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109726016 1000903714 /nfs/dbraw/zinc/90/37/14/1000903714.db2.gz AIFDCXAMUJVRHF-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000771414184 1001093032 /nfs/dbraw/zinc/09/30/32/1001093032.db2.gz PYFPUAHMQBJELI-UHFFFAOYSA-N 2 1 359.558 2.692 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112586200 1001538427 /nfs/dbraw/zinc/53/84/27/1001538427.db2.gz MKTLYKYWTXGGCD-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092011583 1002279105 /nfs/dbraw/zinc/27/91/05/1002279105.db2.gz AOWJXWCIIYCVRS-IRLDBZIGSA-N 2 1 355.526 2.761 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086618201 1003518259 /nfs/dbraw/zinc/51/82/59/1003518259.db2.gz WYAXZPQZXKESLH-FCHUYYIVSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000923925408 1017067359 /nfs/dbraw/zinc/06/73/59/1017067359.db2.gz YSNMOXZHJDIYQZ-FQEVSTJZSA-N 2 1 360.546 2.523 20 30 FFEDMP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861312 1007538251 /nfs/dbraw/zinc/53/82/51/1007538251.db2.gz CCBLAMXOFBYLEI-SQGPQFPESA-N 2 1 356.514 2.663 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000859213986 1008488624 /nfs/dbraw/zinc/48/86/24/1008488624.db2.gz DOEXRQKUIMQKSM-NRFANRHFSA-N 2 1 362.477 2.857 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000859213986 1008488626 /nfs/dbraw/zinc/48/86/26/1008488626.db2.gz DOEXRQKUIMQKSM-NRFANRHFSA-N 2 1 362.477 2.857 20 30 FFEDMP C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000886361807 1008651077 /nfs/dbraw/zinc/65/10/77/1008651077.db2.gz WFAAWTVDDVPYIO-RBUKOAKNSA-N 2 1 353.510 2.501 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094427055 1011111014 /nfs/dbraw/zinc/11/10/14/1011111014.db2.gz FLCGQZSEKQVKEP-YLJYHZDGSA-N 2 1 359.539 2.807 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](CC)CC)o3)CCC[C@@H]12 ZINC001094586275 1011312037 /nfs/dbraw/zinc/31/20/37/1011312037.db2.gz IGUVZKXCMJSNAL-TZIWHRDSSA-N 2 1 357.498 2.729 20 30 FFEDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313236 1011742555 /nfs/dbraw/zinc/74/25/55/1011742555.db2.gz SFXIMEOSGSPXTJ-XLIONFOSSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313236 1011742566 /nfs/dbraw/zinc/74/25/66/1011742566.db2.gz SFXIMEOSGSPXTJ-XLIONFOSSA-N 2 1 369.509 2.839 20 30 FFEDMP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275339060 1012324704 /nfs/dbraw/zinc/32/47/04/1012324704.db2.gz ADNKVEKUDUVWJE-OAQYLSRUSA-N 2 1 365.562 2.768 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(COCC(F)(F)F)cc1 ZINC000303783828 1012429055 /nfs/dbraw/zinc/42/90/55/1012429055.db2.gz ONGHVVVDAROFBH-INIZCTEOSA-N 2 1 372.435 2.654 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000304760076 1012863149 /nfs/dbraw/zinc/86/31/49/1012863149.db2.gz RWGJQKXWOIRGGI-SJLPKXTDSA-N 2 1 361.534 2.784 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)c1OC1CCCC1 ZINC000304756075 1012864275 /nfs/dbraw/zinc/86/42/75/1012864275.db2.gz NJNWDLQWZNLXJF-QGZVFWFLSA-N 2 1 374.529 2.905 20 30 FFEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731089 1018070872 /nfs/dbraw/zinc/07/08/72/1018070872.db2.gz JOPSWMMNALRCCI-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731089 1018070885 /nfs/dbraw/zinc/07/08/85/1018070885.db2.gz JOPSWMMNALRCCI-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052731089 1018070897 /nfs/dbraw/zinc/07/08/97/1018070897.db2.gz JOPSWMMNALRCCI-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902741832 1020443183 /nfs/dbraw/zinc/44/31/83/1020443183.db2.gz WXQQLXSNPZEDHZ-GCJKJVERSA-N 2 1 363.509 2.983 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001118091189 1022061585 /nfs/dbraw/zinc/06/15/85/1022061585.db2.gz UGICPRONTHQVTE-FQEVSTJZSA-N 2 1 362.477 2.999 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C(F)(F)F ZINC001099331392 1022308732 /nfs/dbraw/zinc/30/87/32/1022308732.db2.gz GVRZPLOPCDQJSU-OAGGEKHMSA-N 2 1 361.452 2.806 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122513138 1023313149 /nfs/dbraw/zinc/31/31/49/1023313149.db2.gz DHOYJLHVKJGUAN-QGZVFWFLSA-N 2 1 360.550 2.630 20 30 FFEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796691 1023375250 /nfs/dbraw/zinc/37/52/50/1023375250.db2.gz OMQVPKRSZPASGM-BDTNDASRSA-N 2 1 367.537 2.668 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796691 1023375257 /nfs/dbraw/zinc/37/52/57/1023375257.db2.gz OMQVPKRSZPASGM-BDTNDASRSA-N 2 1 367.537 2.668 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796691 1023375266 /nfs/dbraw/zinc/37/52/66/1023375266.db2.gz OMQVPKRSZPASGM-BDTNDASRSA-N 2 1 367.537 2.668 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001121566175 1023852217 /nfs/dbraw/zinc/85/22/17/1023852217.db2.gz ALBZHBODNQYSHA-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101270798 1024277166 /nfs/dbraw/zinc/27/71/66/1024277166.db2.gz WSRBXJWSSCWOLD-DXIQSLLYSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101270798 1024277177 /nfs/dbraw/zinc/27/71/77/1024277177.db2.gz WSRBXJWSSCWOLD-DXIQSLLYSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101270798 1024277183 /nfs/dbraw/zinc/27/71/83/1024277183.db2.gz WSRBXJWSSCWOLD-DXIQSLLYSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101270798 1024277189 /nfs/dbraw/zinc/27/71/89/1024277189.db2.gz WSRBXJWSSCWOLD-DXIQSLLYSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001102596386 1026390523 /nfs/dbraw/zinc/39/05/23/1026390523.db2.gz CQCHZHXWROQJGB-KFHCLJRTSA-N 2 1 359.558 2.762 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000838623799 1026444422 /nfs/dbraw/zinc/44/44/22/1026444422.db2.gz OIKAEGRYNPCCRR-LJQANCHMSA-N 2 1 362.562 2.628 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162557 1027018023 /nfs/dbraw/zinc/01/80/23/1027018023.db2.gz BNFNWVVRNGAZKL-RTBURBONSA-N 2 1 358.530 2.948 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360595 1027305697 /nfs/dbraw/zinc/30/56/97/1027305697.db2.gz LNYYRWMVGKEIJY-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360595 1027305715 /nfs/dbraw/zinc/30/57/15/1027305715.db2.gz LNYYRWMVGKEIJY-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360595 1027305736 /nfs/dbraw/zinc/30/57/36/1027305736.db2.gz LNYYRWMVGKEIJY-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376361 1027345130 /nfs/dbraw/zinc/34/51/30/1027345130.db2.gz XJAHVJXVPZKIHI-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376361 1027345144 /nfs/dbraw/zinc/34/51/44/1027345144.db2.gz XJAHVJXVPZKIHI-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103433999 1027474355 /nfs/dbraw/zinc/47/43/55/1027474355.db2.gz QOWCCPDVPDFJBD-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103433999 1027474362 /nfs/dbraw/zinc/47/43/62/1027474362.db2.gz QOWCCPDVPDFJBD-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103433999 1027474369 /nfs/dbraw/zinc/47/43/69/1027474369.db2.gz QOWCCPDVPDFJBD-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001103448657 1027500175 /nfs/dbraw/zinc/50/01/75/1027500175.db2.gz WPINNANEJWUVOI-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495590 1027602872 /nfs/dbraw/zinc/60/28/72/1027602872.db2.gz KBDZQJIHDMWIIZ-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP N#Cc1cccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155358990 1028693129 /nfs/dbraw/zinc/69/31/29/1028693129.db2.gz WOYDVVNVAFRRBA-FQEVSTJZSA-N 2 1 361.493 2.867 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017905 1029866433 /nfs/dbraw/zinc/86/64/33/1029866433.db2.gz VJYBZJXSGBYOHO-HKUYNNGSSA-N 2 1 353.938 2.976 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017905 1029866436 /nfs/dbraw/zinc/86/64/36/1029866436.db2.gz VJYBZJXSGBYOHO-HKUYNNGSSA-N 2 1 353.938 2.976 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100868 1030004528 /nfs/dbraw/zinc/00/45/28/1030004528.db2.gz NXSUHMFYMZCUBL-OAGGEKHMSA-N 2 1 361.452 2.804 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448549 1031753871 /nfs/dbraw/zinc/75/38/71/1031753871.db2.gz JARCERIPHPUOEQ-ZWKOTPCHSA-N 2 1 367.896 2.804 20 30 FFEDMP C=CCC[C@H](C)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138078 1031863333 /nfs/dbraw/zinc/86/33/33/1031863333.db2.gz SQTBXNDCAZAATN-IPMKNSEASA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138077 1031863644 /nfs/dbraw/zinc/86/36/44/1031863644.db2.gz SQTBXNDCAZAATN-GUDVDZBRSA-N 2 1 365.562 2.669 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611576 1031871782 /nfs/dbraw/zinc/87/17/82/1031871782.db2.gz LSEHBUGSPIEATK-CEWLAPEOSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CCCCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219938867 1033899687 /nfs/dbraw/zinc/89/96/87/1033899687.db2.gz HKAHWVGUXXVBPY-SFHVURJKSA-N 2 1 351.535 2.602 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226613349 1034755937 /nfs/dbraw/zinc/75/59/37/1034755937.db2.gz GJUNTIPEPKGFCP-VSKRKVRLSA-N 2 1 367.537 2.930 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5C#N)C[C@H]3C2)cn1 ZINC001139705140 1035201922 /nfs/dbraw/zinc/20/19/22/1035201922.db2.gz MDTJKIHZYDFERG-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5C#N)C[C@H]3C2)cn1 ZINC001139705140 1035201930 /nfs/dbraw/zinc/20/19/30/1035201930.db2.gz MDTJKIHZYDFERG-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5c4cccc5C#N)C[C@H]3C2)cn1 ZINC001139705140 1035201935 /nfs/dbraw/zinc/20/19/35/1035201935.db2.gz MDTJKIHZYDFERG-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5c4cccc5C#N)C[C@H]3C2)cn1 ZINC001139705140 1035201940 /nfs/dbraw/zinc/20/19/40/1035201940.db2.gz MDTJKIHZYDFERG-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001228594409 1036194152 /nfs/dbraw/zinc/19/41/52/1036194152.db2.gz JSGVLRAQAZAFKZ-CEWLAPEOSA-N 2 1 353.510 2.539 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001229503477 1036709893 /nfs/dbraw/zinc/70/98/93/1036709893.db2.gz JPEWMAMMDWEYRB-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001277840961 1036967828 /nfs/dbraw/zinc/96/78/28/1036967828.db2.gz NJHDUWCXWIQMQV-PZJWPPBQSA-N 2 1 365.562 2.502 20 30 FFEDMP Cn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C#N ZINC001207104097 1037150462 /nfs/dbraw/zinc/15/04/62/1037150462.db2.gz KBEYZBKNHJDBNC-LJQANCHMSA-N 2 1 368.481 2.745 20 30 FFEDMP C=CCN(CC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1)C(=O)OC(C)(C)C ZINC001207204727 1037245604 /nfs/dbraw/zinc/24/56/04/1037245604.db2.gz VXKHKBAOJCYVCH-UHFFFAOYSA-N 2 1 360.502 2.935 20 30 FFEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001208107655 1038041940 /nfs/dbraw/zinc/04/19/40/1038041940.db2.gz XKAWQDNSICEWPU-JOCHJYFZSA-N 2 1 366.509 2.719 20 30 FFEDMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001208598912 1038437300 /nfs/dbraw/zinc/43/73/00/1038437300.db2.gz ANRINDDUTQKYJI-QFIPXVFZSA-N 2 1 366.509 2.719 20 30 FFEDMP CC(C)N(C)Cc1nnc2n1CCC[N@H+](CCCc1cccc(C#N)c1)C2 ZINC001208852409 1038557496 /nfs/dbraw/zinc/55/74/96/1038557496.db2.gz JIGADKOZVOXEPC-UHFFFAOYSA-N 2 1 366.513 2.828 20 30 FFEDMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+]C3CCC(C#N)CC3)C[C@H]2C1 ZINC001256950297 1038662222 /nfs/dbraw/zinc/66/22/22/1038662222.db2.gz AUIUQWCKYKCGKU-FPQWYMTMSA-N 2 1 362.518 2.600 20 30 FFEDMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+]C3CCC(C#N)CC3)C[C@H]2C1 ZINC001256950297 1038662226 /nfs/dbraw/zinc/66/22/26/1038662226.db2.gz AUIUQWCKYKCGKU-FPQWYMTMSA-N 2 1 362.518 2.600 20 30 FFEDMP N#CC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001256967200 1038665432 /nfs/dbraw/zinc/66/54/32/1038665432.db2.gz WUBRMNYCMMKXLC-AFATZARISA-N 2 1 368.529 2.535 20 30 FFEDMP N#CC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001256967200 1038665436 /nfs/dbraw/zinc/66/54/36/1038665436.db2.gz WUBRMNYCMMKXLC-AFATZARISA-N 2 1 368.529 2.535 20 30 FFEDMP N#CC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001256967200 1038665440 /nfs/dbraw/zinc/66/54/40/1038665440.db2.gz WUBRMNYCMMKXLC-AFATZARISA-N 2 1 368.529 2.535 20 30 FFEDMP N#CC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001256967200 1038665443 /nfs/dbraw/zinc/66/54/43/1038665443.db2.gz WUBRMNYCMMKXLC-AFATZARISA-N 2 1 368.529 2.535 20 30 FFEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257023095 1038681307 /nfs/dbraw/zinc/68/13/07/1038681307.db2.gz VIXDWMDKCBYQGK-NYLDSWQDSA-N 2 1 368.525 2.727 20 30 FFEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257023095 1038681311 /nfs/dbraw/zinc/68/13/11/1038681311.db2.gz VIXDWMDKCBYQGK-NYLDSWQDSA-N 2 1 368.525 2.727 20 30 FFEDMP N#C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246391301 1039335808 /nfs/dbraw/zinc/33/58/08/1039335808.db2.gz VQGIQAHULMSDAH-CVEARBPZSA-N 2 1 366.431 2.604 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001278681037 1039689127 /nfs/dbraw/zinc/68/91/27/1039689127.db2.gz RLACJOFEGDXEQS-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001278681037 1039689135 /nfs/dbraw/zinc/68/91/35/1039689135.db2.gz RLACJOFEGDXEQS-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252984910 1039894932 /nfs/dbraw/zinc/89/49/32/1039894932.db2.gz BLGAREPUMVMCFP-LJQANCHMSA-N 2 1 355.567 2.632 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374334 1040120154 /nfs/dbraw/zinc/12/01/54/1040120154.db2.gz DTYIUWBBWUISFK-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374334 1040120159 /nfs/dbraw/zinc/12/01/59/1040120159.db2.gz DTYIUWBBWUISFK-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001264042066 1042593454 /nfs/dbraw/zinc/59/34/54/1042593454.db2.gz OCORDIAICUQSRA-SFTDATJTSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001264042066 1042593458 /nfs/dbraw/zinc/59/34/58/1042593458.db2.gz OCORDIAICUQSRA-SFTDATJTSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001264042066 1042593460 /nfs/dbraw/zinc/59/34/60/1042593460.db2.gz OCORDIAICUQSRA-SFTDATJTSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264042066 1042593464 /nfs/dbraw/zinc/59/34/64/1042593464.db2.gz OCORDIAICUQSRA-SFTDATJTSA-N 2 1 371.525 2.640 20 30 FFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001278127356 1043294623 /nfs/dbraw/zinc/29/46/23/1043294623.db2.gz SPLHBLTZEWVURO-QFIPXVFZSA-N 2 1 354.542 2.840 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290256 1044301860 /nfs/dbraw/zinc/30/18/60/1044301860.db2.gz AZGBTDBUUHNGMN-NHCUHLMSSA-N 2 1 370.541 2.856 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290256 1044301866 /nfs/dbraw/zinc/30/18/66/1044301866.db2.gz AZGBTDBUUHNGMN-NHCUHLMSSA-N 2 1 370.541 2.856 20 30 FFEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCC#N)cc1 ZINC001280181294 1044362486 /nfs/dbraw/zinc/36/24/86/1044362486.db2.gz KLZDILWADYJVAV-BGYRXZFFSA-N 2 1 356.514 2.579 20 30 FFEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCC#N)cc1 ZINC001280181294 1044362500 /nfs/dbraw/zinc/36/25/00/1044362500.db2.gz KLZDILWADYJVAV-BGYRXZFFSA-N 2 1 356.514 2.579 20 30 FFEDMP Cc1ccc(C#N)c(NC(=O)C23CC([NH2+]C[C@H]4CCC[N@H+](C)C4)(C2)C3)c1 ZINC001280260889 1044491087 /nfs/dbraw/zinc/49/10/87/1044491087.db2.gz SWKCMFXSVHIJHM-YMTQGWHGSA-N 2 1 352.482 2.659 20 30 FFEDMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001283441480 1046383598 /nfs/dbraw/zinc/38/35/98/1046383598.db2.gz FMGXCPPCVSGGHV-NSISKUIASA-N 2 1 356.514 2.519 20 30 FFEDMP N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC001330320008 1049131219 /nfs/dbraw/zinc/13/12/19/1049131219.db2.gz TWZBWYQIEIFZQU-OOMBGRCJSA-N 2 1 361.489 2.967 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001342247673 1050838844 /nfs/dbraw/zinc/83/88/44/1050838844.db2.gz NKPFLBPGLFXREZ-ROUUACIJSA-N 2 1 360.550 2.584 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(OCC#N)c3)CC2)CC1 ZINC000847350891 1055571434 /nfs/dbraw/zinc/57/14/34/1055571434.db2.gz HCJLTKOCAGJDGK-UHFFFAOYSA-N 2 1 370.497 2.724 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001479670347 1062775976 /nfs/dbraw/zinc/77/59/76/1062775976.db2.gz GTYATHWCEOKIPB-QYZOEREBSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001479670347 1062775998 /nfs/dbraw/zinc/77/59/98/1062775998.db2.gz GTYATHWCEOKIPB-QYZOEREBSA-N 2 1 356.514 2.500 20 30 FFEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001494204788 1063301661 /nfs/dbraw/zinc/30/16/61/1063301661.db2.gz FJJVLFQFUJAKEG-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001494204788 1063301684 /nfs/dbraw/zinc/30/16/84/1063301684.db2.gz FJJVLFQFUJAKEG-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001494204788 1063301702 /nfs/dbraw/zinc/30/17/02/1063301702.db2.gz FJJVLFQFUJAKEG-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001466255891 1063373190 /nfs/dbraw/zinc/37/31/90/1063373190.db2.gz ZVFXYDLCODTUHI-UTKZUKDTSA-N 2 1 372.557 2.957 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001466255891 1063373207 /nfs/dbraw/zinc/37/32/07/1063373207.db2.gz ZVFXYDLCODTUHI-UTKZUKDTSA-N 2 1 372.557 2.957 20 30 FFEDMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966814 1079289995 /nfs/dbraw/zinc/28/99/95/1079289995.db2.gz UOBYQOHLQBQDJB-UIFIKXQLSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001560313607 1076262894 /nfs/dbraw/zinc/26/28/94/1076262894.db2.gz IXTWDTXMEZTBLE-KRWDZBQOSA-N 2 1 355.523 2.546 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1CC)[NH+](C)C ZINC001566025788 1076861731 /nfs/dbraw/zinc/86/17/31/1076861731.db2.gz WMVTXDJATQZEAD-IPMKNSEASA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1CC)[NH+](C)C ZINC001566025788 1076861733 /nfs/dbraw/zinc/86/17/33/1076861733.db2.gz WMVTXDJATQZEAD-IPMKNSEASA-N 2 1 360.477 2.507 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851613 1076985459 /nfs/dbraw/zinc/98/54/59/1076985459.db2.gz UPBJFNGZCDKIMR-RTWAWAEBSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[C@@]1(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC001574505628 1078003990 /nfs/dbraw/zinc/00/39/90/1078003990.db2.gz XRGXSAUCXBKUHR-IRLDBZIGSA-N 2 1 353.510 2.645 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377624382 512359673 /nfs/dbraw/zinc/35/96/73/512359673.db2.gz JBDAVWNYPRAAKO-XLIONFOSSA-N 2 1 356.514 2.578 20 30 FFEDMP CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373501350 512363654 /nfs/dbraw/zinc/36/36/54/512363654.db2.gz IKZSXADYCWRYSQ-FQEVSTJZSA-N 2 1 368.525 2.728 20 30 FFEDMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCCC1 ZINC000074191075 507996165 /nfs/dbraw/zinc/99/61/65/507996165.db2.gz QVLBSVOUSZZOMZ-IBGZPJMESA-N 2 1 368.525 2.857 20 30 FFEDMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCCC1 ZINC000074191075 507996167 /nfs/dbraw/zinc/99/61/67/507996167.db2.gz QVLBSVOUSZZOMZ-IBGZPJMESA-N 2 1 368.525 2.857 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074917921 508070243 /nfs/dbraw/zinc/07/02/43/508070243.db2.gz ZLVMHFJXVWBXHR-PXNSSMCTSA-N 2 1 371.529 2.677 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687369 508203983 /nfs/dbraw/zinc/20/39/83/508203983.db2.gz HWEQJANWBAFDMX-FQEVSTJZSA-N 2 1 359.489 2.947 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687369 508203985 /nfs/dbraw/zinc/20/39/85/508203985.db2.gz HWEQJANWBAFDMX-FQEVSTJZSA-N 2 1 359.489 2.947 20 30 FFEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143091 508299246 /nfs/dbraw/zinc/29/92/46/508299246.db2.gz MTORLAFMVPWYDR-SFHVURJKSA-N 2 1 356.514 2.591 20 30 FFEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1C ZINC000123465858 508691235 /nfs/dbraw/zinc/69/12/35/508691235.db2.gz QWZNHSKNEPZBIE-KBPBESRZSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@H+]1C ZINC000123465858 508691238 /nfs/dbraw/zinc/69/12/38/508691238.db2.gz QWZNHSKNEPZBIE-KBPBESRZSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465858 508691243 /nfs/dbraw/zinc/69/12/43/508691243.db2.gz QWZNHSKNEPZBIE-KBPBESRZSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465858 508691246 /nfs/dbraw/zinc/69/12/46/508691246.db2.gz QWZNHSKNEPZBIE-KBPBESRZSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597729 509383815 /nfs/dbraw/zinc/38/38/15/509383815.db2.gz UDEXHAXPNFJTRQ-XKGZKEIXSA-N 2 1 357.498 2.541 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261664670 510019357 /nfs/dbraw/zinc/01/93/57/510019357.db2.gz BFVFCSHCJFUOCM-IUODEOHRSA-N 2 1 359.499 2.551 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000246877417 510722530 /nfs/dbraw/zinc/72/25/30/510722530.db2.gz LQVNYKREKNNFFW-SLFFLAALSA-N 2 1 362.562 2.811 20 30 FFEDMP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N ZINC000365242725 511338560 /nfs/dbraw/zinc/33/85/60/511338560.db2.gz PBXOZFGRBOPXRG-UHFFFAOYSA-N 2 1 357.546 2.525 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288630 511490869 /nfs/dbraw/zinc/49/08/69/511490869.db2.gz FIFHNLOJTMAQGC-ICSRJNTNSA-N 2 1 370.541 2.847 20 30 FFEDMP CC(C)c1cccc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000303883998 511754463 /nfs/dbraw/zinc/75/44/63/511754463.db2.gz MMYPJSCJSRNSMR-UHFFFAOYSA-N 2 1 366.513 2.884 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897184 511762542 /nfs/dbraw/zinc/76/25/42/511762542.db2.gz GHTHHALPRKZWSU-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(OC)c1 ZINC000292897184 511762550 /nfs/dbraw/zinc/76/25/50/511762550.db2.gz GHTHHALPRKZWSU-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897184 511762568 /nfs/dbraw/zinc/76/25/68/511762568.db2.gz GHTHHALPRKZWSU-KNQAVFIVSA-N 2 1 374.525 2.581 20 30 FFEDMP C[C@H](NC(=O)N1CC[C@H](c2nccn2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329328981 512027752 /nfs/dbraw/zinc/02/77/52/512027752.db2.gz XZMBZYNAWNGVFH-ULQDDVLXSA-N 2 1 359.518 2.776 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000329826555 512102191 /nfs/dbraw/zinc/10/21/91/512102191.db2.gz CJRHOEHDCLSRJD-CALCHBBNSA-N 2 1 372.513 2.925 20 30 FFEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000329826555 512102192 /nfs/dbraw/zinc/10/21/92/512102192.db2.gz CJRHOEHDCLSRJD-CALCHBBNSA-N 2 1 372.513 2.925 20 30 FFEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000329826555 512102194 /nfs/dbraw/zinc/10/21/94/512102194.db2.gz CJRHOEHDCLSRJD-CALCHBBNSA-N 2 1 372.513 2.925 20 30 FFEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000425536610 513626297 /nfs/dbraw/zinc/62/62/97/513626297.db2.gz OWRBXWRVMSOBFR-UTKZUKDTSA-N 2 1 364.493 2.970 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196845 515241376 /nfs/dbraw/zinc/24/13/76/515241376.db2.gz XZORPVVPTITEGZ-MAODMQOUSA-N 2 1 362.477 2.585 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700105 516826683 /nfs/dbraw/zinc/82/66/83/516826683.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000551700105 516826691 /nfs/dbraw/zinc/82/66/91/516826691.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000551700105 516826702 /nfs/dbraw/zinc/82/67/02/516826702.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)C3CCCCC3)CC2)CC1 ZINC000518997465 516849523 /nfs/dbraw/zinc/84/95/23/516849523.db2.gz XSJGNASHMCVRMD-HXUWFJFHSA-N 2 1 360.546 2.771 20 30 FFEDMP C=CCOc1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538415017 517611310 /nfs/dbraw/zinc/61/13/10/517611310.db2.gz YFMHHGIEBNHHFQ-QFIPXVFZSA-N 2 1 352.478 2.978 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000538415017 517611323 /nfs/dbraw/zinc/61/13/23/517611323.db2.gz YFMHHGIEBNHHFQ-QFIPXVFZSA-N 2 1 352.478 2.978 20 30 FFEDMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000516215115 517620931 /nfs/dbraw/zinc/62/09/31/517620931.db2.gz HDKRHEDJQSLBNE-OALUTQOASA-N 2 1 371.525 2.957 20 30 FFEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000582236394 518654348 /nfs/dbraw/zinc/65/43/48/518654348.db2.gz SJNHWOLJJZECPS-GOSISDBHSA-N 2 1 350.470 2.701 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000568975679 519312507 /nfs/dbraw/zinc/31/25/07/519312507.db2.gz IRKMXXJQKRIRNS-HNNXBMFYSA-N 2 1 358.404 2.685 20 30 FFEDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000575190729 519547538 /nfs/dbraw/zinc/54/75/38/519547538.db2.gz GTJLRFONVIBYBG-UHFFFAOYSA-N 2 1 354.420 2.693 20 30 FFEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878140 519944013 /nfs/dbraw/zinc/94/40/13/519944013.db2.gz WFEAMRRWBZDXJB-AWEZNQCLSA-N 2 1 360.889 2.956 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437657 519963575 /nfs/dbraw/zinc/96/35/75/519963575.db2.gz KIIOLCKLCQCJLB-UNMCSNQZSA-N 2 1 368.525 2.912 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000594446289 519970756 /nfs/dbraw/zinc/97/07/56/519970756.db2.gz PBISJAZVAWCAEL-HXUWFJFHSA-N 2 1 368.525 2.912 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000594454218 519974114 /nfs/dbraw/zinc/97/41/14/519974114.db2.gz UWLSBVLCPICMCM-RMJJICAUSA-N 2 1 356.514 2.908 20 30 FFEDMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000609739390 520417874 /nfs/dbraw/zinc/41/78/74/520417874.db2.gz DHOBOKMVSKJJDF-BGYRXZFFSA-N 2 1 363.461 2.797 20 30 FFEDMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000609739390 520417877 /nfs/dbraw/zinc/41/78/77/520417877.db2.gz DHOBOKMVSKJJDF-BGYRXZFFSA-N 2 1 363.461 2.797 20 30 FFEDMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611974 520591996 /nfs/dbraw/zinc/59/19/96/520591996.db2.gz QVAWGVDQIKUEQM-HXUWFJFHSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611974 520592002 /nfs/dbraw/zinc/59/20/02/520592002.db2.gz QVAWGVDQIKUEQM-HXUWFJFHSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611974 520592008 /nfs/dbraw/zinc/59/20/08/520592008.db2.gz QVAWGVDQIKUEQM-HXUWFJFHSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595611974 520592015 /nfs/dbraw/zinc/59/20/15/520592015.db2.gz QVAWGVDQIKUEQM-HXUWFJFHSA-N 2 1 368.525 2.655 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599266996 521119386 /nfs/dbraw/zinc/11/93/86/521119386.db2.gz XCLUZZZJALTLCC-IBGZPJMESA-N 2 1 351.535 2.502 20 30 FFEDMP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602535998 521401367 /nfs/dbraw/zinc/40/13/67/521401367.db2.gz VDNBFYRFEKMGEN-PMACEKPBSA-N 2 1 356.514 2.767 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594550 521429244 /nfs/dbraw/zinc/42/92/44/521429244.db2.gz YTPBLKAQZPZVPD-WOJBJXKFSA-N 2 1 356.514 2.959 20 30 FFEDMP N#CCCN(C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000602846408 521567123 /nfs/dbraw/zinc/56/71/23/521567123.db2.gz PQNYUBQGGVPSBC-UHFFFAOYSA-N 2 1 363.465 2.541 20 30 FFEDMP C[NH+]=C(NCc1csc(Br)c1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261963436 729655700 /nfs/dbraw/zinc/65/57/00/729655700.db2.gz KVPFLZSTPVKKCX-GXFFZTMASA-N 2 1 371.348 2.658 20 30 FFEDMP C#CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000886362975 733777241 /nfs/dbraw/zinc/77/72/41/733777241.db2.gz VIQIPMCETOIHTD-KRWDZBQOSA-N 2 1 357.523 2.519 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597819 740293980 /nfs/dbraw/zinc/29/39/80/740293980.db2.gz LRHSXVLWXDQTDT-XWTMOSNGSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597819 740293985 /nfs/dbraw/zinc/29/39/85/740293985.db2.gz LRHSXVLWXDQTDT-XWTMOSNGSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597819 740293987 /nfs/dbraw/zinc/29/39/87/740293987.db2.gz LRHSXVLWXDQTDT-XWTMOSNGSA-N 2 1 353.938 2.640 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795770 970839255 /nfs/dbraw/zinc/83/92/55/970839255.db2.gz WWFYMCMJBMXEQX-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC001275869940 1013118641 /nfs/dbraw/zinc/11/86/41/1013118641.db2.gz AEFLLCOOGATBOO-HDICACEKSA-N 2 1 374.554 2.669 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1C ZINC001275869940 1013118648 /nfs/dbraw/zinc/11/86/48/1013118648.db2.gz AEFLLCOOGATBOO-HDICACEKSA-N 2 1 374.554 2.669 20 30 FFEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175388018 1013466417 /nfs/dbraw/zinc/46/64/17/1013466417.db2.gz GEJGAMONTPCGKA-TYPHKJRUSA-N 2 1 355.526 2.620 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087465984 964432867 /nfs/dbraw/zinc/43/28/67/964432867.db2.gz SOMKYMVYZCEEKM-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087465984 964432875 /nfs/dbraw/zinc/43/28/75/964432875.db2.gz SOMKYMVYZCEEKM-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518414 968518432 /nfs/dbraw/zinc/51/84/32/968518432.db2.gz HZPYEIONQUNRDW-DXIQSLLYSA-N 2 1 370.541 2.938 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087725308 968758632 /nfs/dbraw/zinc/75/86/32/968758632.db2.gz KQSVMCQFQBTBJF-DZFGPLHGSA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087725308 968758633 /nfs/dbraw/zinc/75/86/33/968758633.db2.gz KQSVMCQFQBTBJF-DZFGPLHGSA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087725308 968758636 /nfs/dbraw/zinc/75/86/36/968758636.db2.gz KQSVMCQFQBTBJF-DZFGPLHGSA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087725308 968758638 /nfs/dbraw/zinc/75/86/38/968758638.db2.gz KQSVMCQFQBTBJF-DZFGPLHGSA-N 2 1 371.500 2.631 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530543 975521885 /nfs/dbraw/zinc/52/18/85/975521885.db2.gz ZQKKPGMLWXHNSU-WFXMLNOXSA-N 2 1 356.514 2.548 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001087432612 976139932 /nfs/dbraw/zinc/13/99/32/976139932.db2.gz ZMAJZPZOLSWGFL-NHCUHLMSSA-N 2 1 358.445 2.555 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001087432612 976139942 /nfs/dbraw/zinc/13/99/42/976139942.db2.gz ZMAJZPZOLSWGFL-NHCUHLMSSA-N 2 1 358.445 2.555 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001087436972 977043460 /nfs/dbraw/zinc/04/34/60/977043460.db2.gz UMUINNIHNSNAHX-WOJBJXKFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001087436972 977043472 /nfs/dbraw/zinc/04/34/72/977043472.db2.gz UMUINNIHNSNAHX-WOJBJXKFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001087436972 977043483 /nfs/dbraw/zinc/04/34/83/977043483.db2.gz UMUINNIHNSNAHX-WOJBJXKFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001087436972 977043495 /nfs/dbraw/zinc/04/34/95/977043495.db2.gz UMUINNIHNSNAHX-WOJBJXKFSA-N 2 1 355.526 2.879 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159968379 979491294 /nfs/dbraw/zinc/49/12/94/979491294.db2.gz OBEAMKGSYWMKLW-SLFFLAALSA-N 2 1 374.577 2.709 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000668368515 980211659 /nfs/dbraw/zinc/21/16/59/980211659.db2.gz AUCWFQDNRPKOMT-UHFFFAOYSA-N 2 1 352.482 2.536 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000668368515 980211666 /nfs/dbraw/zinc/21/16/66/980211666.db2.gz AUCWFQDNRPKOMT-UHFFFAOYSA-N 2 1 352.482 2.536 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088655858 982206223 /nfs/dbraw/zinc/20/62/23/982206223.db2.gz VTMHLEVVWJMMNR-XLIONFOSSA-N 2 1 366.509 2.513 20 30 FFEDMP CC[NH+](Cc1cc(C#N)cc(C[N@H+](CC)CC(C)(C)O)c1)CC(C)(C)O ZINC000878107434 1014864419 /nfs/dbraw/zinc/86/44/19/1014864419.db2.gz OJVHXFFHHSITBA-UHFFFAOYSA-N 2 1 361.530 2.744 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2 ZINC001107439785 984540940 /nfs/dbraw/zinc/54/09/40/984540940.db2.gz SNJKVSMEOBTPCY-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2 ZINC001107439785 984540944 /nfs/dbraw/zinc/54/09/44/984540944.db2.gz SNJKVSMEOBTPCY-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)C)CC2 ZINC001107439785 984540945 /nfs/dbraw/zinc/54/09/45/984540945.db2.gz SNJKVSMEOBTPCY-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)C)CC2 ZINC001107439785 984540948 /nfs/dbraw/zinc/54/09/48/984540948.db2.gz SNJKVSMEOBTPCY-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544086 984660737 /nfs/dbraw/zinc/66/07/37/984660737.db2.gz LJOWIUVVYOYZAB-QKNQBKEWSA-N 2 1 365.562 2.670 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCCC)CC3)CC1 ZINC001107643902 984926490 /nfs/dbraw/zinc/92/64/90/984926490.db2.gz XTWMQKVKVNTVRL-IFMALSPDSA-N 2 1 359.558 2.883 20 30 FFEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897633 985364151 /nfs/dbraw/zinc/36/41/51/985364151.db2.gz QWZWZDRAZFUHPL-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897633 985364162 /nfs/dbraw/zinc/36/41/62/985364162.db2.gz QWZWZDRAZFUHPL-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897633 985364172 /nfs/dbraw/zinc/36/41/72/985364172.db2.gz QWZWZDRAZFUHPL-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897633 985364187 /nfs/dbraw/zinc/36/41/87/985364187.db2.gz QWZWZDRAZFUHPL-JRGCBEDISA-N 2 1 368.525 2.900 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172958210 985724746 /nfs/dbraw/zinc/72/47/46/985724746.db2.gz WZQZBKHOBXOYMY-LJQANCHMSA-N 2 1 364.497 2.891 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172958210 985724758 /nfs/dbraw/zinc/72/47/58/985724758.db2.gz WZQZBKHOBXOYMY-LJQANCHMSA-N 2 1 364.497 2.891 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C\c3ccccc3)[C@@H]2C)CC1 ZINC001089060074 986141884 /nfs/dbraw/zinc/14/18/84/986141884.db2.gz RDRVNDQHFLLBKF-CMGDBQBYSA-N 2 1 365.521 2.624 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430823 986776725 /nfs/dbraw/zinc/77/67/25/986776725.db2.gz YCCKYMGZVJHEKD-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430823 986776736 /nfs/dbraw/zinc/77/67/36/986776736.db2.gz YCCKYMGZVJHEKD-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430823 986776752 /nfs/dbraw/zinc/77/67/52/986776752.db2.gz YCCKYMGZVJHEKD-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085196606 988782137 /nfs/dbraw/zinc/78/21/37/988782137.db2.gz GZZXJCDBHYBZRA-NJYVYQBISA-N 2 1 368.525 2.948 20 30 FFEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001004553095 989046706 /nfs/dbraw/zinc/04/67/06/989046706.db2.gz QNPKGZBRKTYHIY-GUDVDZBRSA-N 2 1 356.514 2.803 20 30 FFEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860255 989698162 /nfs/dbraw/zinc/69/81/62/989698162.db2.gz PZJMNPQPLIYVHN-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001034216805 989977329 /nfs/dbraw/zinc/97/73/29/989977329.db2.gz LNVNPHPWQNDNGR-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001034216805 989977337 /nfs/dbraw/zinc/97/73/37/989977337.db2.gz LNVNPHPWQNDNGR-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001034216805 989977342 /nfs/dbraw/zinc/97/73/42/989977342.db2.gz LNVNPHPWQNDNGR-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652363473 1015543053 /nfs/dbraw/zinc/54/30/53/1015543053.db2.gz FNTMRJPWQDDVNX-FBBABVLZSA-N 2 1 359.514 2.834 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652363473 1015543062 /nfs/dbraw/zinc/54/30/62/1015543062.db2.gz FNTMRJPWQDDVNX-FBBABVLZSA-N 2 1 359.514 2.834 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000923382528 991105749 /nfs/dbraw/zinc/10/57/49/991105749.db2.gz CHNJTXZDYYAAJE-MJGOQNOKSA-N 2 1 374.525 2.627 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000175571827 991221017 /nfs/dbraw/zinc/22/10/17/991221017.db2.gz NJOIQDANEJCGSJ-MSOLQXFVSA-N 2 1 358.505 2.750 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC[C@H]1c1ccc(F)cc1 ZINC001079152627 991817752 /nfs/dbraw/zinc/81/77/52/991817752.db2.gz WELZIJIEEXTDCQ-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@H]2C)CC1 ZINC001080997378 993547411 /nfs/dbraw/zinc/54/74/11/993547411.db2.gz AVTNCPZRPICDMX-XMSQKQJNSA-N 2 1 367.537 2.531 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1ccccc1 ZINC001081170779 993717379 /nfs/dbraw/zinc/71/73/79/993717379.db2.gz NZTKRJOHVCXODM-SESVDKBCSA-N 2 1 364.493 2.524 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809738168 994600200 /nfs/dbraw/zinc/60/02/00/994600200.db2.gz SGBNEMTYPDJPNC-AZUAARDMSA-N 2 1 358.530 2.825 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3csc(C)c3)[C@H]2C1 ZINC001084961162 998388051 /nfs/dbraw/zinc/38/80/51/998388051.db2.gz OUKCYBAFZMMICA-AABGKKOBSA-N 2 1 371.550 2.577 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3csc(C)c3)[C@H]2C1 ZINC001084961162 998388057 /nfs/dbraw/zinc/38/80/57/998388057.db2.gz OUKCYBAFZMMICA-AABGKKOBSA-N 2 1 371.550 2.577 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3csc(C)c3)[C@H]2C1 ZINC001084961162 998388065 /nfs/dbraw/zinc/38/80/65/998388065.db2.gz OUKCYBAFZMMICA-AABGKKOBSA-N 2 1 371.550 2.577 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3csc(C)c3)[C@H]2C1 ZINC001084961162 998388074 /nfs/dbraw/zinc/38/80/74/998388074.db2.gz OUKCYBAFZMMICA-AABGKKOBSA-N 2 1 371.550 2.577 20 30 FFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139064 1000025270 /nfs/dbraw/zinc/02/52/70/1000025270.db2.gz LYYFUQHSXCGKTJ-YSNWRPKNSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139064 1000025271 /nfs/dbraw/zinc/02/52/71/1000025271.db2.gz LYYFUQHSXCGKTJ-YSNWRPKNSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139064 1000025272 /nfs/dbraw/zinc/02/52/72/1000025272.db2.gz LYYFUQHSXCGKTJ-YSNWRPKNSA-N 2 1 364.493 2.612 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512782 1000584579 /nfs/dbraw/zinc/58/45/79/1000584579.db2.gz ZKVPMPKYZYXDSH-RKOGWWSCSA-N 2 1 365.481 2.957 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086592648 1002539683 /nfs/dbraw/zinc/53/96/83/1002539683.db2.gz ZXRBNBMMEFTEBE-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086592648 1002539692 /nfs/dbraw/zinc/53/96/92/1002539692.db2.gz ZXRBNBMMEFTEBE-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086592648 1002539702 /nfs/dbraw/zinc/53/97/02/1002539702.db2.gz ZXRBNBMMEFTEBE-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001186196732 1003217406 /nfs/dbraw/zinc/21/74/06/1003217406.db2.gz QOVOFXXLAPZMEZ-RLLQIKCJSA-N 2 1 361.505 2.874 20 30 FFEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001197700914 1004328729 /nfs/dbraw/zinc/32/87/29/1004328729.db2.gz AUTCPTRYTBOSCC-YLJYHZDGSA-N 2 1 373.928 2.938 20 30 FFEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001197700914 1004328744 /nfs/dbraw/zinc/32/87/44/1004328744.db2.gz AUTCPTRYTBOSCC-YLJYHZDGSA-N 2 1 373.928 2.938 20 30 FFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000747468899 1004783212 /nfs/dbraw/zinc/78/32/12/1004783212.db2.gz AXLBGAPDICEECP-FQEVSTJZSA-N 2 1 367.497 2.812 20 30 FFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000747468899 1004783218 /nfs/dbraw/zinc/78/32/18/1004783218.db2.gz AXLBGAPDICEECP-FQEVSTJZSA-N 2 1 367.497 2.812 20 30 FFEDMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001488916552 1005376974 /nfs/dbraw/zinc/37/69/74/1005376974.db2.gz XIUXFAPNKGWZFO-AZUAARDMSA-N 2 1 371.500 2.536 20 30 FFEDMP C#CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000923925409 1017067998 /nfs/dbraw/zinc/06/79/98/1017067998.db2.gz YSNMOXZHJDIYQZ-HXUWFJFHSA-N 2 1 360.546 2.523 20 30 FFEDMP CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854044692 1006646182 /nfs/dbraw/zinc/64/61/82/1006646182.db2.gz OJDDQHTWNYFGOO-NRFANRHFSA-N 2 1 368.525 2.639 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001190318678 1007567914 /nfs/dbraw/zinc/56/79/14/1007567914.db2.gz RKKVFOBWIYCJRE-VQTJNVASSA-N 2 1 359.558 2.691 20 30 FFEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819199940 1008065304 /nfs/dbraw/zinc/06/53/04/1008065304.db2.gz HRVVWPLXIATUKK-HXUWFJFHSA-N 2 1 351.498 2.752 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276245 1009779542 /nfs/dbraw/zinc/77/95/42/1009779542.db2.gz HSIIPLVHHOAYCK-SJLPKXTDSA-N 2 1 367.534 2.641 20 30 FFEDMP C#CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001093371829 1010233171 /nfs/dbraw/zinc/23/31/71/1010233171.db2.gz VRKOSKJWMHZIJO-PWRODBHTSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371829 1010233183 /nfs/dbraw/zinc/23/31/83/1010233183.db2.gz VRKOSKJWMHZIJO-PWRODBHTSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371829 1010233197 /nfs/dbraw/zinc/23/31/97/1010233197.db2.gz VRKOSKJWMHZIJO-PWRODBHTSA-N 2 1 371.569 2.833 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095405939 1010454514 /nfs/dbraw/zinc/45/45/14/1010454514.db2.gz FXOMUOSRDILKTC-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095405939 1010454524 /nfs/dbraw/zinc/45/45/24/1010454524.db2.gz FXOMUOSRDILKTC-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095405939 1010454532 /nfs/dbraw/zinc/45/45/32/1010454532.db2.gz FXOMUOSRDILKTC-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001095405939 1010454540 /nfs/dbraw/zinc/45/45/40/1010454540.db2.gz FXOMUOSRDILKTC-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153844 1010877558 /nfs/dbraw/zinc/87/75/58/1010877558.db2.gz ODPIONYEPLRFBE-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153844 1010877562 /nfs/dbraw/zinc/87/75/62/1010877562.db2.gz ODPIONYEPLRFBE-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001094437400 1011128206 /nfs/dbraw/zinc/12/82/06/1011128206.db2.gz SPCVHPVPYJIACI-NNMXDRDESA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001094437400 1011128209 /nfs/dbraw/zinc/12/82/09/1011128209.db2.gz SPCVHPVPYJIACI-NNMXDRDESA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001094437400 1011128212 /nfs/dbraw/zinc/12/82/12/1011128212.db2.gz SPCVHPVPYJIACI-NNMXDRDESA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001094437400 1011128214 /nfs/dbraw/zinc/12/82/14/1011128214.db2.gz SPCVHPVPYJIACI-NNMXDRDESA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094445399 1011135188 /nfs/dbraw/zinc/13/51/88/1011135188.db2.gz XKRPQKYWQOPDJS-IEBWSBKVSA-N 2 1 365.949 2.976 20 30 FFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CCC[C@@H]12 ZINC001094519269 1011185185 /nfs/dbraw/zinc/18/51/85/1011185185.db2.gz CUNKWEIWLNBVBC-ADYITMSISA-N 2 1 367.537 2.879 20 30 FFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)CCC[C@@H]12 ZINC001094519269 1011185188 /nfs/dbraw/zinc/18/51/88/1011185188.db2.gz CUNKWEIWLNBVBC-ADYITMSISA-N 2 1 367.537 2.879 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)CCC[C@@H]12 ZINC001094519269 1011185193 /nfs/dbraw/zinc/18/51/93/1011185193.db2.gz CUNKWEIWLNBVBC-ADYITMSISA-N 2 1 367.537 2.879 20 30 FFEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977102 1012146500 /nfs/dbraw/zinc/14/65/00/1012146500.db2.gz ZCNJDRIINAEQIY-QZWWFDLISA-N 2 1 350.507 2.740 20 30 FFEDMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)CC1 ZINC001172992178 1012197062 /nfs/dbraw/zinc/19/70/62/1012197062.db2.gz RSSMZLVTSXXCQC-IRXDYDNUSA-N 2 1 362.518 2.696 20 30 FFEDMP Cc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C ZINC000303787046 1012427748 /nfs/dbraw/zinc/42/77/48/1012427748.db2.gz SALVFVZNNRNMDK-UHFFFAOYSA-N 2 1 365.525 2.978 20 30 FFEDMP COc1cccc([C@@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCC2)c1 ZINC000303791123 1012429924 /nfs/dbraw/zinc/42/99/24/1012429924.db2.gz XAEKYOVARZGNIE-OAQYLSRUSA-N 2 1 366.509 2.979 20 30 FFEDMP COc1cccc([C@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCC2)c1 ZINC000303791121 1012430989 /nfs/dbraw/zinc/43/09/89/1012430989.db2.gz XAEKYOVARZGNIE-NRFANRHFSA-N 2 1 366.509 2.979 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cn(-c2ccccc2)nc1C ZINC000303906003 1012513951 /nfs/dbraw/zinc/51/39/51/1012513951.db2.gz ZSIZTJLDUDZFRJ-HXUWFJFHSA-N 2 1 368.529 2.502 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000304763702 1012872253 /nfs/dbraw/zinc/87/22/53/1012872253.db2.gz XDLDGDNWXVIZMP-XUVXKRRUSA-N 2 1 358.530 2.851 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097853117 1018028125 /nfs/dbraw/zinc/02/81/25/1018028125.db2.gz JFGFPFKNEURGPA-PDOICOKGSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097853117 1018028138 /nfs/dbraw/zinc/02/81/38/1018028138.db2.gz JFGFPFKNEURGPA-PDOICOKGSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097853117 1018028150 /nfs/dbraw/zinc/02/81/50/1018028150.db2.gz JFGFPFKNEURGPA-PDOICOKGSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CC[NH+]1CCC[C@@H](N(Cc2ccccn2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001072133172 1020278459 /nfs/dbraw/zinc/27/84/59/1020278459.db2.gz ZFORNSZRFUGTBI-HMXCVIKNSA-N 2 1 370.541 2.791 20 30 FFEDMP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccn2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001072133172 1020278463 /nfs/dbraw/zinc/27/84/63/1020278463.db2.gz ZFORNSZRFUGTBI-HMXCVIKNSA-N 2 1 370.541 2.791 20 30 FFEDMP C=CC[N@@H+]1CCC[C@@H](N(Cc2ccccn2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001072133172 1020278470 /nfs/dbraw/zinc/27/84/70/1020278470.db2.gz ZFORNSZRFUGTBI-HMXCVIKNSA-N 2 1 370.541 2.791 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC ZINC001222601902 1033064257 /nfs/dbraw/zinc/06/42/57/1033064257.db2.gz CMGNVYIRECKRCK-HXUWFJFHSA-N 2 1 362.473 2.896 20 30 FFEDMP C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC ZINC001222601902 1033064273 /nfs/dbraw/zinc/06/42/73/1033064273.db2.gz CMGNVYIRECKRCK-HXUWFJFHSA-N 2 1 362.473 2.896 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001101364089 1024551479 /nfs/dbraw/zinc/55/14/79/1024551479.db2.gz MZUCRRJUWZYYAY-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001101364089 1024551484 /nfs/dbraw/zinc/55/14/84/1024551484.db2.gz MZUCRRJUWZYYAY-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C[NH+]=C(NCc1ccnc(C)n1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984124 1024918303 /nfs/dbraw/zinc/91/83/03/1024918303.db2.gz QJMXOUJSTPGNJM-YJBOKZPZSA-N 2 1 372.542 2.595 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102110539 1025439257 /nfs/dbraw/zinc/43/92/57/1025439257.db2.gz CTNDAXWNWJHVGA-QZTJIDSGSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102110539 1025439260 /nfs/dbraw/zinc/43/92/60/1025439260.db2.gz CTNDAXWNWJHVGA-QZTJIDSGSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102110539 1025439267 /nfs/dbraw/zinc/43/92/67/1025439267.db2.gz CTNDAXWNWJHVGA-QZTJIDSGSA-N 2 1 365.562 2.526 20 30 FFEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](CC)CC ZINC001102358169 1025801428 /nfs/dbraw/zinc/80/14/28/1025801428.db2.gz ZOIHVXXKDJTETE-DUXKGJEZSA-N 2 1 370.541 2.863 20 30 FFEDMP COC(=O)C1(C#N)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000839614490 1026759186 /nfs/dbraw/zinc/75/91/86/1026759186.db2.gz PADQJJNPJAKMRQ-UHFFFAOYSA-N 2 1 355.482 2.951 20 30 FFEDMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](C)C ZINC001103407895 1027420389 /nfs/dbraw/zinc/42/03/89/1027420389.db2.gz ZRVVGPMRLSIDGP-YFVAEKQCSA-N 2 1 370.541 2.719 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632601 1027831302 /nfs/dbraw/zinc/83/13/02/1027831302.db2.gz MUHYKUNAPJACKB-WOIUINJBSA-N 2 1 355.526 2.561 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654823 1027898430 /nfs/dbraw/zinc/89/84/30/1027898430.db2.gz DHCCXHRTLUJRDE-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP C#CC[C@]1(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CCC[NH2+]1 ZINC001161057324 1027989778 /nfs/dbraw/zinc/98/97/78/1027989778.db2.gz VVUWSVQZIMNHCQ-JTHBVZDNSA-N 2 1 365.521 2.788 20 30 FFEDMP N#Cc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162935733 1028718171 /nfs/dbraw/zinc/71/81/71/1028718171.db2.gz ULVLYFCQSFQWQS-LJQANCHMSA-N 2 1 361.493 2.867 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112404091 1030752074 /nfs/dbraw/zinc/75/20/74/1030752074.db2.gz GLUUHBIIZSHYAH-IPJJNNNSSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112404091 1030752089 /nfs/dbraw/zinc/75/20/89/1030752089.db2.gz GLUUHBIIZSHYAH-IPJJNNNSSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112404352 1030754023 /nfs/dbraw/zinc/75/40/23/1030754023.db2.gz YDMNDHFCHWLCLX-FUDKSRODSA-N 2 1 371.569 2.883 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112404352 1030754038 /nfs/dbraw/zinc/75/40/38/1030754038.db2.gz YDMNDHFCHWLCLX-FUDKSRODSA-N 2 1 371.569 2.883 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112441991 1030820065 /nfs/dbraw/zinc/82/00/65/1030820065.db2.gz DUNZEADELRLRDL-JXFKEZNVSA-N 2 1 360.502 2.534 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1c1ccc(F)cc1 ZINC001205326119 1031672139 /nfs/dbraw/zinc/67/21/39/1031672139.db2.gz NYFIUDQLYODAGG-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000799178313 1031681597 /nfs/dbraw/zinc/68/15/97/1031681597.db2.gz LQWSSCBNQJQVMO-HXUWFJFHSA-N 2 1 366.509 2.861 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611577 1031871938 /nfs/dbraw/zinc/87/19/38/1031871938.db2.gz LSEHBUGSPIEATK-TYPHKJRUSA-N 2 1 371.500 2.606 20 30 FFEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570978 1033500434 /nfs/dbraw/zinc/50/04/34/1033500434.db2.gz VKJRMGMGUXXEDX-IEBWSBKVSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570978 1033500444 /nfs/dbraw/zinc/50/04/44/1033500444.db2.gz VKJRMGMGUXXEDX-IEBWSBKVSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223679017 1033548007 /nfs/dbraw/zinc/54/80/07/1033548007.db2.gz WOMHHNRVGLYQKX-UXHICEINSA-N 2 1 365.562 2.602 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223679017 1033548013 /nfs/dbraw/zinc/54/80/13/1033548013.db2.gz WOMHHNRVGLYQKX-UXHICEINSA-N 2 1 365.562 2.602 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC/C=C/CC)[C@H]3C2)CC1 ZINC001224227395 1033784541 /nfs/dbraw/zinc/78/45/41/1033784541.db2.gz JVPHAPNXZUQPPE-QYUKCPRWSA-N 2 1 357.542 2.611 20 30 FFEDMP C=C1CC=C(F)C=C1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220797284 1034403227 /nfs/dbraw/zinc/40/32/27/1034403227.db2.gz MYRFXIFKCFKHLK-SFHVURJKSA-N 2 1 353.441 2.521 20 30 FFEDMP C=C1CC=C(F)C=C1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220797284 1034403239 /nfs/dbraw/zinc/40/32/39/1034403239.db2.gz MYRFXIFKCFKHLK-SFHVURJKSA-N 2 1 353.441 2.521 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1)C1CCC1 ZINC001226824079 1034853113 /nfs/dbraw/zinc/85/31/13/1034853113.db2.gz JYBZOGZKMGOJIT-NHCUHLMSSA-N 2 1 371.500 2.679 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139028092 1034894714 /nfs/dbraw/zinc/89/47/14/1034894714.db2.gz LQCAGQSCNVDEBL-CTNGQTDRSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139028092 1034894722 /nfs/dbraw/zinc/89/47/22/1034894722.db2.gz LQCAGQSCNVDEBL-CTNGQTDRSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139028092 1034894725 /nfs/dbraw/zinc/89/47/25/1034894725.db2.gz LQCAGQSCNVDEBL-CTNGQTDRSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139028092 1034894734 /nfs/dbraw/zinc/89/47/34/1034894734.db2.gz LQCAGQSCNVDEBL-CTNGQTDRSA-N 2 1 366.509 2.939 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001277734327 1036154476 /nfs/dbraw/zinc/15/44/76/1036154476.db2.gz JBYWCBYMUADWLT-XUVXKRRUSA-N 2 1 367.578 2.725 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277734547 1036154732 /nfs/dbraw/zinc/15/47/32/1036154732.db2.gz JSAWJPXFIMGLEH-TZIWHRDSSA-N 2 1 367.578 2.584 20 30 FFEDMP N#Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)n1 ZINC001232925427 1036164516 /nfs/dbraw/zinc/16/45/16/1036164516.db2.gz VERAGVYOMWMYIT-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP N#Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)n1 ZINC001232925427 1036164522 /nfs/dbraw/zinc/16/45/22/1036164522.db2.gz VERAGVYOMWMYIT-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001229859946 1036942484 /nfs/dbraw/zinc/94/24/84/1036942484.db2.gz IUDPXABHOPODIN-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC001236082807 1037925503 /nfs/dbraw/zinc/92/55/03/1037925503.db2.gz JMNZJJWOOIXMFZ-UHFFFAOYSA-N 2 1 363.509 2.663 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596507 1038086282 /nfs/dbraw/zinc/08/62/82/1038086282.db2.gz DRKMNFULNZCWHI-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001277596507 1038086303 /nfs/dbraw/zinc/08/63/03/1038086303.db2.gz DRKMNFULNZCWHI-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP CCOC(=O)N1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001256026305 1038321244 /nfs/dbraw/zinc/32/12/44/1038321244.db2.gz UWTAPYNHZFSRCB-UFYCRDLUSA-N 2 1 370.497 2.861 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443874 1040204463 /nfs/dbraw/zinc/20/44/63/1040204463.db2.gz JSYJYPKELAUBDY-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443874 1040204477 /nfs/dbraw/zinc/20/44/77/1040204477.db2.gz JSYJYPKELAUBDY-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001249427574 1040758421 /nfs/dbraw/zinc/75/84/21/1040758421.db2.gz JOBPBOCZTDQVAH-UXHICEINSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001249427574 1040758431 /nfs/dbraw/zinc/75/84/31/1040758431.db2.gz JOBPBOCZTDQVAH-UXHICEINSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001249427574 1040758445 /nfs/dbraw/zinc/75/84/45/1040758445.db2.gz JOBPBOCZTDQVAH-UXHICEINSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001249427574 1040758458 /nfs/dbraw/zinc/75/84/58/1040758458.db2.gz JOBPBOCZTDQVAH-UXHICEINSA-N 2 1 374.492 2.727 20 30 FFEDMP C=CCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132289 1041166498 /nfs/dbraw/zinc/16/64/98/1041166498.db2.gz TVQIWULULOYORB-MXEMCNAFSA-N 2 1 353.510 2.949 20 30 FFEDMP C=CCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132289 1041166504 /nfs/dbraw/zinc/16/65/04/1041166504.db2.gz TVQIWULULOYORB-MXEMCNAFSA-N 2 1 353.510 2.949 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604927 1041836901 /nfs/dbraw/zinc/83/69/01/1041836901.db2.gz HQMRQAQQTSYEFG-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001264002049 1042575636 /nfs/dbraw/zinc/57/56/36/1042575636.db2.gz SNEANLHGAUCHHO-CTNGQTDRSA-N 2 1 357.542 2.954 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCC1 ZINC001264175716 1042654250 /nfs/dbraw/zinc/65/42/50/1042654250.db2.gz VMANXIILKOAJSZ-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCC1 ZINC001264175716 1042654252 /nfs/dbraw/zinc/65/42/52/1042654252.db2.gz VMANXIILKOAJSZ-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340429 /nfs/dbraw/zinc/34/04/29/1043340429.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 1 369.900 2.899 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340439 /nfs/dbraw/zinc/34/04/39/1043340439.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 1 369.900 2.899 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340448 /nfs/dbraw/zinc/34/04/48/1043340448.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 1 369.900 2.899 20 30 FFEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3C)C[C@H]2CC1 ZINC001279696620 1043485706 /nfs/dbraw/zinc/48/57/06/1043485706.db2.gz CBCFOOAIEZSGGL-OYRHEFFESA-N 2 1 357.498 2.631 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3C)C[C@H]2CC1 ZINC001279696620 1043485712 /nfs/dbraw/zinc/48/57/12/1043485712.db2.gz CBCFOOAIEZSGGL-OYRHEFFESA-N 2 1 357.498 2.631 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3C)C[C@H]2CC1 ZINC001279696620 1043485721 /nfs/dbraw/zinc/48/57/21/1043485721.db2.gz CBCFOOAIEZSGGL-OYRHEFFESA-N 2 1 357.498 2.631 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238771643 1043884094 /nfs/dbraw/zinc/88/40/94/1043884094.db2.gz IHLBMYRNAOUXEH-UHFFFAOYSA-N 2 1 352.526 2.912 20 30 FFEDMP N#CCC[NH+]1CCC2(CC[N@@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC001280181618 1044362424 /nfs/dbraw/zinc/36/24/24/1044362424.db2.gz SQVDJBFNYUGNCP-UHFFFAOYSA-N 2 1 359.445 2.894 20 30 FFEDMP N#CCC[NH+]1CCC2(CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC001280181618 1044362436 /nfs/dbraw/zinc/36/24/36/1044362436.db2.gz SQVDJBFNYUGNCP-UHFFFAOYSA-N 2 1 359.445 2.894 20 30 FFEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001324397550 1046004348 /nfs/dbraw/zinc/00/43/48/1046004348.db2.gz PZEIVJGSTJXTDF-DENIHFKCSA-N 2 1 367.537 2.761 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC001335440984 1053364997 /nfs/dbraw/zinc/36/49/97/1053364997.db2.gz OANSNFCHXAMSGR-BPJPHKDRSA-N 2 1 372.509 2.545 20 30 FFEDMP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+]2CCOCC2)CCCCC1 ZINC000849054227 1055604070 /nfs/dbraw/zinc/60/40/70/1055604070.db2.gz SYPCTOGPMDAMGU-UHFFFAOYSA-N 2 1 358.530 2.729 20 30 FFEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001353518170 1056487459 /nfs/dbraw/zinc/48/74/59/1056487459.db2.gz NJCKEWHYYNDDIJ-LJQANCHMSA-N 2 1 370.497 2.596 20 30 FFEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528813 1058519852 /nfs/dbraw/zinc/51/98/52/1058519852.db2.gz BUBISWYUXVZLOG-FUPPJEDESA-N 2 1 367.537 2.573 20 30 FFEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528813 1058519874 /nfs/dbraw/zinc/51/98/74/1058519874.db2.gz BUBISWYUXVZLOG-FUPPJEDESA-N 2 1 367.537 2.573 20 30 FFEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528813 1058519895 /nfs/dbraw/zinc/51/98/95/1058519895.db2.gz BUBISWYUXVZLOG-FUPPJEDESA-N 2 1 367.537 2.573 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001520459349 1059701022 /nfs/dbraw/zinc/70/10/22/1059701022.db2.gz HXOSKRUZHSIARO-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001520459349 1059701037 /nfs/dbraw/zinc/70/10/37/1059701037.db2.gz HXOSKRUZHSIARO-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001520459349 1059701054 /nfs/dbraw/zinc/70/10/54/1059701054.db2.gz HXOSKRUZHSIARO-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479425790 1062381340 /nfs/dbraw/zinc/38/13/40/1062381340.db2.gz UHMVPFHXJMIBPP-HBMCJLEFSA-N 2 1 355.526 2.714 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871534 1064052144 /nfs/dbraw/zinc/05/21/44/1064052144.db2.gz CBLZBYCNOCCNII-RTWAWAEBSA-N 2 1 368.525 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871534 1064052155 /nfs/dbraw/zinc/05/21/55/1064052155.db2.gz CBLZBYCNOCCNII-RTWAWAEBSA-N 2 1 368.525 2.610 20 30 FFEDMP C=CCCC[C@H]([NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001574903421 1078091628 /nfs/dbraw/zinc/09/16/28/1078091628.db2.gz QMTGOHCTQVGYDQ-KRWDZBQOSA-N 2 1 351.535 2.600 20 30 FFEDMP C=CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC001574955290 1078096917 /nfs/dbraw/zinc/09/69/17/1078096917.db2.gz XFMIWDLUAVYJHR-HDICACEKSA-N 2 1 360.550 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](Cc2ccc(C#N)cc2)C2CC2)CC[N@H+]1C ZINC001566587461 1076969386 /nfs/dbraw/zinc/96/93/86/1076969386.db2.gz GHFUDULVTLMCJO-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC[NH+]1C ZINC001566587461 1076969390 /nfs/dbraw/zinc/96/93/90/1076969390.db2.gz GHFUDULVTLMCJO-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC[NH+]1C ZINC001566587461 1076969394 /nfs/dbraw/zinc/96/93/94/1076969394.db2.gz GHFUDULVTLMCJO-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001567738401 1077050085 /nfs/dbraw/zinc/05/00/85/1077050085.db2.gz PAKKMTGXNLPMPV-TYPHKJRUSA-N 2 1 355.526 2.688 20 30 FFEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567738401 1077050091 /nfs/dbraw/zinc/05/00/91/1077050091.db2.gz PAKKMTGXNLPMPV-TYPHKJRUSA-N 2 1 355.526 2.688 20 30 FFEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567738401 1077050096 /nfs/dbraw/zinc/05/00/96/1077050096.db2.gz PAKKMTGXNLPMPV-TYPHKJRUSA-N 2 1 355.526 2.688 20 30 FFEDMP CCCC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570810318 1077233144 /nfs/dbraw/zinc/23/31/44/1077233144.db2.gz MXYMFTSJYLSXFM-LSTHTHJFSA-N 2 1 356.514 2.663 20 30 FFEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001571311942 1077246069 /nfs/dbraw/zinc/24/60/69/1077246069.db2.gz QZQHZCTUAVKRTL-QRQLOZEOSA-N 2 1 363.933 2.959 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000277197795 256171056 /nfs/dbraw/zinc/17/10/56/256171056.db2.gz MHDQEEYKXKKOAM-CQSZACIVSA-N 2 1 360.527 2.853 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000277197795 256171058 /nfs/dbraw/zinc/17/10/58/256171058.db2.gz MHDQEEYKXKKOAM-CQSZACIVSA-N 2 1 360.527 2.853 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264112616 509336507 /nfs/dbraw/zinc/33/65/07/509336507.db2.gz RLRDTUKLMYABNW-GOSISDBHSA-N 2 1 352.482 2.986 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000176966034 509788311 /nfs/dbraw/zinc/78/83/11/509788311.db2.gz PQLBJCSJTVOTMV-QGZVFWFLSA-N 2 1 368.506 2.607 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177314010 509993110 /nfs/dbraw/zinc/99/31/10/509993110.db2.gz UHAKQNGHNWJTFA-INIZCTEOSA-N 2 1 365.543 2.628 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246019243 510252553 /nfs/dbraw/zinc/25/25/53/510252553.db2.gz MCDAOWPPUNYAFM-LAUBAEHRSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246019243 510252559 /nfs/dbraw/zinc/25/25/59/510252559.db2.gz MCDAOWPPUNYAFM-LAUBAEHRSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246019243 510252567 /nfs/dbraw/zinc/25/25/67/510252567.db2.gz MCDAOWPPUNYAFM-LAUBAEHRSA-N 2 1 360.546 2.771 20 30 FFEDMP N#Cc1ccsc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246538942 510544068 /nfs/dbraw/zinc/54/40/68/510544068.db2.gz JTVAFEFGBLUVHY-RDJZCZTQSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246538942 510544073 /nfs/dbraw/zinc/54/40/73/510544073.db2.gz JTVAFEFGBLUVHY-RDJZCZTQSA-N 2 1 358.511 2.897 20 30 FFEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246538942 510544094 /nfs/dbraw/zinc/54/40/94/510544094.db2.gz JTVAFEFGBLUVHY-RDJZCZTQSA-N 2 1 358.511 2.897 20 30 FFEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000330303249 510960271 /nfs/dbraw/zinc/96/02/71/510960271.db2.gz PAWVOMLFDPKEQD-ZWKOTPCHSA-N 2 1 359.518 2.700 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000365187736 511306509 /nfs/dbraw/zinc/30/65/09/511306509.db2.gz NMCIZFJGWPKTQV-UHFFFAOYSA-N 2 1 370.541 2.863 20 30 FFEDMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc1C ZINC000284923650 511930523 /nfs/dbraw/zinc/93/05/23/511930523.db2.gz BYSCSMZVJCOVMR-QFBILLFUSA-N 2 1 354.502 2.847 20 30 FFEDMP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328851116 511940936 /nfs/dbraw/zinc/94/09/36/511940936.db2.gz UXBDXHSNEYFYGN-ACRUOGEOSA-N 2 1 371.525 2.985 20 30 FFEDMP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000328851116 511940940 /nfs/dbraw/zinc/94/09/40/511940940.db2.gz UXBDXHSNEYFYGN-ACRUOGEOSA-N 2 1 371.525 2.985 20 30 FFEDMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000328851116 511940944 /nfs/dbraw/zinc/94/09/44/511940944.db2.gz UXBDXHSNEYFYGN-ACRUOGEOSA-N 2 1 371.525 2.985 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367485129 512524518 /nfs/dbraw/zinc/52/45/18/512524518.db2.gz KHHMCTIWGWQLII-UHFFFAOYSA-N 2 1 368.525 2.737 20 30 FFEDMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413175836 513501221 /nfs/dbraw/zinc/50/12/21/513501221.db2.gz KDOWFBQXLCTLBB-FGTMMUONSA-N 2 1 356.514 2.710 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000423420311 514135910 /nfs/dbraw/zinc/13/59/10/514135910.db2.gz JHJIEIJDMOCHHL-HSZRJFAPSA-N 2 1 360.505 2.999 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000433320972 514457363 /nfs/dbraw/zinc/45/73/63/514457363.db2.gz WFNUGGIYLQHUSK-RTBURBONSA-N 2 1 350.470 2.575 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000433320972 514457369 /nfs/dbraw/zinc/45/73/69/514457369.db2.gz WFNUGGIYLQHUSK-RTBURBONSA-N 2 1 350.470 2.575 20 30 FFEDMP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC1CCCCC1 ZINC000484564655 514692189 /nfs/dbraw/zinc/69/21/89/514692189.db2.gz HDQWQDKETUQOSZ-HXUWFJFHSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC1CCCCC1 ZINC000484564655 514692196 /nfs/dbraw/zinc/69/21/96/514692196.db2.gz HDQWQDKETUQOSZ-HXUWFJFHSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC1CCCCC1 ZINC000484564655 514692207 /nfs/dbraw/zinc/69/22/07/514692207.db2.gz HDQWQDKETUQOSZ-HXUWFJFHSA-N 2 1 365.562 2.528 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462036910 514843281 /nfs/dbraw/zinc/84/32/81/514843281.db2.gz HUVUYDHMNZZKFY-YLJYHZDGSA-N 2 1 356.514 2.536 20 30 FFEDMP C=C(C)CCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459014250 515267762 /nfs/dbraw/zinc/26/77/62/515267762.db2.gz ZOZBZOMIRDOZHM-UHFFFAOYSA-N 2 1 350.551 2.790 20 30 FFEDMP COc1c[nH+]ccc1N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000483208919 515985054 /nfs/dbraw/zinc/98/50/54/515985054.db2.gz BALQRSBGFUDPKZ-UHFFFAOYSA-N 2 1 352.438 2.553 20 30 FFEDMP CC1CC(C#N)(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000531824714 516662645 /nfs/dbraw/zinc/66/26/45/516662645.db2.gz QILRGCWZNAJEND-UHFFFAOYSA-N 2 1 360.546 2.581 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000525994449 517281000 /nfs/dbraw/zinc/28/10/00/517281000.db2.gz KQMZBSGMCHQSOX-UHFFFAOYSA-N 2 1 363.465 2.887 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000516348460 517668041 /nfs/dbraw/zinc/66/80/41/517668041.db2.gz YOWDWJBPAWVHDL-IYBDPMFKSA-N 2 1 363.527 2.710 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000516348460 517668053 /nfs/dbraw/zinc/66/80/53/517668053.db2.gz YOWDWJBPAWVHDL-IYBDPMFKSA-N 2 1 363.527 2.710 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccc(C#N)cc43)CC2)CC1 ZINC000573136209 518523578 /nfs/dbraw/zinc/52/35/78/518523578.db2.gz RRCOKUGTSKEUFV-UHFFFAOYSA-N 2 1 366.509 2.644 20 30 FFEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566241579 519386766 /nfs/dbraw/zinc/38/67/66/519386766.db2.gz FPGXPODCHXAYNL-LPHOPBHVSA-N 2 1 360.465 2.601 20 30 FFEDMP C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566241579 519386771 /nfs/dbraw/zinc/38/67/71/519386771.db2.gz FPGXPODCHXAYNL-LPHOPBHVSA-N 2 1 360.465 2.601 20 30 FFEDMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594439738 519965723 /nfs/dbraw/zinc/96/57/23/519965723.db2.gz UYOJOPFPLFKDMJ-QFBILLFUSA-N 2 1 358.486 2.757 20 30 FFEDMP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000592471130 520403771 /nfs/dbraw/zinc/40/37/71/520403771.db2.gz ZGRQBQRRPDPHLF-BFGFKNPTSA-N 2 1 369.509 2.995 20 30 FFEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615930 520594736 /nfs/dbraw/zinc/59/47/36/520594736.db2.gz OOXLTCCTCGLLDZ-ICSRJNTNSA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615930 520594740 /nfs/dbraw/zinc/59/47/40/520594740.db2.gz OOXLTCCTCGLLDZ-ICSRJNTNSA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615929 520594974 /nfs/dbraw/zinc/59/49/74/520594974.db2.gz OOXLTCCTCGLLDZ-AZUAARDMSA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615929 520594982 /nfs/dbraw/zinc/59/49/82/520594982.db2.gz OOXLTCCTCGLLDZ-AZUAARDMSA-N 2 1 368.525 2.781 20 30 FFEDMP N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000602845953 521567342 /nfs/dbraw/zinc/56/73/42/521567342.db2.gz NTEVQXUCIKTLQT-UHFFFAOYSA-N 2 1 360.421 2.716 20 30 FFEDMP N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000602845953 521567346 /nfs/dbraw/zinc/56/73/46/521567346.db2.gz NTEVQXUCIKTLQT-UHFFFAOYSA-N 2 1 360.421 2.716 20 30 FFEDMP CC[NH+]=C(NCc1csc(Br)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262781144 729671003 /nfs/dbraw/zinc/67/10/03/729671003.db2.gz LLLZDFUWMLVUAQ-LBPRGKRZSA-N 2 1 371.348 2.802 20 30 FFEDMP CC[NH+]=C(NCc1csc(Br)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262781144 729671004 /nfs/dbraw/zinc/67/10/04/729671004.db2.gz LLLZDFUWMLVUAQ-LBPRGKRZSA-N 2 1 371.348 2.802 20 30 FFEDMP C[NH+]=C(NCc1scnc1C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262807145 729671705 /nfs/dbraw/zinc/67/17/05/729671705.db2.gz QIEDHFPTOGMBCW-DOTOQJQBSA-N 2 1 357.527 2.952 20 30 FFEDMP [NH2+]=C(NCCCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000304526641 729736687 /nfs/dbraw/zinc/73/66/87/729736687.db2.gz ZQEKFBGNSYIYKZ-UHFFFAOYSA-N 2 1 373.328 2.553 20 30 FFEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304495714 729736815 /nfs/dbraw/zinc/73/68/15/729736815.db2.gz NLXZQACXRFJUCC-AWEZNQCLSA-N 2 1 358.408 2.721 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000304795326 729737334 /nfs/dbraw/zinc/73/73/34/729737334.db2.gz MGOFBJFSBYWFRH-JZXOWHBKSA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304795326 729737337 /nfs/dbraw/zinc/73/73/37/729737337.db2.gz MGOFBJFSBYWFRH-JZXOWHBKSA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000304795326 729737338 /nfs/dbraw/zinc/73/73/38/729737338.db2.gz MGOFBJFSBYWFRH-JZXOWHBKSA-N 3 1 363.575 2.520 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000876771558 732279578 /nfs/dbraw/zinc/27/95/78/732279578.db2.gz ZDORJLUEZWLHHC-VBQJREDUSA-N 2 1 351.878 2.704 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000876771558 732279581 /nfs/dbraw/zinc/27/95/81/732279581.db2.gz ZDORJLUEZWLHHC-VBQJREDUSA-N 2 1 351.878 2.704 20 30 FFEDMP N#CCOc1ccc(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000735309188 734940169 /nfs/dbraw/zinc/94/01/69/734940169.db2.gz IQSJNDVDRMVEAD-UHFFFAOYSA-N 2 1 363.889 2.787 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794766 970839833 /nfs/dbraw/zinc/83/98/33/970839833.db2.gz GFNXKUBCRLKQOB-WOJBJXKFSA-N 2 1 367.578 2.753 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880730 1013131067 /nfs/dbraw/zinc/13/10/67/1013131067.db2.gz WAZAKZFGCWZHED-PGRDOPGGSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880730 1013131070 /nfs/dbraw/zinc/13/10/70/1013131070.db2.gz WAZAKZFGCWZHED-PGRDOPGGSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880730 1013131074 /nfs/dbraw/zinc/13/10/74/1013131074.db2.gz WAZAKZFGCWZHED-PGRDOPGGSA-N 2 1 353.510 2.895 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001087168111 964807282 /nfs/dbraw/zinc/80/72/82/964807282.db2.gz SPTADRVGMOPREC-SGLNWRHMSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261994871 965174004 /nfs/dbraw/zinc/17/40/04/965174004.db2.gz SEOXRDGQKURGAA-UFYCRDLUSA-N 2 1 374.577 2.852 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166507 965986200 /nfs/dbraw/zinc/98/62/00/965986200.db2.gz GCQBJAZPXWIVDH-GOSISDBHSA-N 2 1 362.518 2.553 20 30 FFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181713 965988466 /nfs/dbraw/zinc/98/84/66/965988466.db2.gz VJDHZKFITLCGPM-OAQYLSRUSA-N 2 1 350.510 2.698 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087212773 966579915 /nfs/dbraw/zinc/57/99/15/966579915.db2.gz PLAWCQRCOANMBD-OPYAIIAOSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCCn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nn1 ZINC000657459962 966619303 /nfs/dbraw/zinc/61/93/03/966619303.db2.gz MTAZCFMHNMBYQL-UHFFFAOYSA-N 2 1 355.486 2.617 20 30 FFEDMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cccc(C#N)c1 ZINC001267314211 967821241 /nfs/dbraw/zinc/82/12/41/967821241.db2.gz KMMVVQNGRIGLMN-VQTJNVASSA-N 2 1 356.514 2.617 20 30 FFEDMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1cccc(C#N)c1 ZINC001267314211 967821257 /nfs/dbraw/zinc/82/12/57/967821257.db2.gz KMMVVQNGRIGLMN-VQTJNVASSA-N 2 1 356.514 2.617 20 30 FFEDMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1cccc(C#N)c1 ZINC001267314211 967821271 /nfs/dbraw/zinc/82/12/71/967821271.db2.gz KMMVVQNGRIGLMN-VQTJNVASSA-N 2 1 356.514 2.617 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211603954 967822876 /nfs/dbraw/zinc/82/28/76/967822876.db2.gz WLDMDKBCXJXLJA-AYWYSENESA-N 2 1 355.526 2.877 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCCC)C1 ZINC001211618337 968066078 /nfs/dbraw/zinc/06/60/78/968066078.db2.gz PYOQPWMKJGJGFF-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCCC)C1 ZINC001211618337 968066086 /nfs/dbraw/zinc/06/60/86/968066086.db2.gz PYOQPWMKJGJGFF-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001104676732 970086593 /nfs/dbraw/zinc/08/65/93/970086593.db2.gz VYAVWTYXIOPOBS-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129281 972974715 /nfs/dbraw/zinc/97/47/15/972974715.db2.gz GIFLPIBUDVJXFT-KURKYZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129281 972974721 /nfs/dbraw/zinc/97/47/21/972974721.db2.gz GIFLPIBUDVJXFT-KURKYZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210697 973663256 /nfs/dbraw/zinc/66/32/56/973663256.db2.gz WVMUXRJZCRSBPC-MOPGFXCFSA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210697 973663261 /nfs/dbraw/zinc/66/32/61/973663261.db2.gz WVMUXRJZCRSBPC-MOPGFXCFSA-N 2 1 361.917 2.895 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001087429329 975784315 /nfs/dbraw/zinc/78/43/15/975784315.db2.gz DNBLCBNSAHATBM-BHDDXSALSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001087429329 975784323 /nfs/dbraw/zinc/78/43/23/975784323.db2.gz DNBLCBNSAHATBM-BHDDXSALSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001087429329 975784334 /nfs/dbraw/zinc/78/43/34/975784334.db2.gz DNBLCBNSAHATBM-BHDDXSALSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001087429329 975784342 /nfs/dbraw/zinc/78/43/42/975784342.db2.gz DNBLCBNSAHATBM-BHDDXSALSA-N 2 1 367.537 2.572 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709266 1014358627 /nfs/dbraw/zinc/35/86/27/1014358627.db2.gz NKTPUZGCYXFLFW-YADHBBJMSA-N 2 1 374.488 2.698 20 30 FFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001112533605 976949750 /nfs/dbraw/zinc/94/97/50/976949750.db2.gz UXOBRMDZBCJVSO-KGSLCBSSSA-N 2 1 367.537 2.736 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876725210 1014364318 /nfs/dbraw/zinc/36/43/18/1014364318.db2.gz OTPQCMAFMDBFJS-JXFKEZNVSA-N 2 1 354.498 2.516 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261617908 977368159 /nfs/dbraw/zinc/36/81/59/977368159.db2.gz HCBQALIHZJGUGW-CFIQQJQHSA-N 2 1 360.546 2.514 20 30 FFEDMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116359 1014494424 /nfs/dbraw/zinc/49/44/24/1014494424.db2.gz AUBAZYWYPPTUEH-IFMALSPDSA-N 2 1 369.509 2.769 20 30 FFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116359 1014494431 /nfs/dbraw/zinc/49/44/31/1014494431.db2.gz AUBAZYWYPPTUEH-IFMALSPDSA-N 2 1 369.509 2.769 20 30 FFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116359 1014494440 /nfs/dbraw/zinc/49/44/40/1014494440.db2.gz AUBAZYWYPPTUEH-IFMALSPDSA-N 2 1 369.509 2.769 20 30 FFEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116359 1014494445 /nfs/dbraw/zinc/49/44/45/1014494445.db2.gz AUBAZYWYPPTUEH-IFMALSPDSA-N 2 1 369.509 2.769 20 30 FFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664634 979277567 /nfs/dbraw/zinc/27/75/67/979277567.db2.gz NKZBEFQXTUBZCL-RTWAWAEBSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664634 979277574 /nfs/dbraw/zinc/27/75/74/979277574.db2.gz NKZBEFQXTUBZCL-RTWAWAEBSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000985664634 979277579 /nfs/dbraw/zinc/27/75/79/979277579.db2.gz NKZBEFQXTUBZCL-RTWAWAEBSA-N 2 1 355.526 2.831 20 30 FFEDMP C[C@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CCCO[C@@H](C)C3)c2)CCCO1 ZINC000878041519 1014830305 /nfs/dbraw/zinc/83/03/05/1014830305.db2.gz NIGRLGRVTXXQAP-ROUUACIJSA-N 2 1 357.498 2.780 20 30 FFEDMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000898295996 982674771 /nfs/dbraw/zinc/67/47/71/982674771.db2.gz DCOURUWFGRQKLH-IBGZPJMESA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)CC[N@H+]1C ZINC000995841080 984146087 /nfs/dbraw/zinc/14/60/87/984146087.db2.gz PCGAAAYBNDCZLV-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1CCOCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCOCC[C@H]2C)c1 ZINC000878374267 1015014269 /nfs/dbraw/zinc/01/42/69/1015014269.db2.gz QSLPAZUADILKGW-QZTJIDSGSA-N 2 1 357.498 2.780 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3ccnc3)CCC[C@@H]12 ZINC001107561079 984700604 /nfs/dbraw/zinc/70/06/04/984700604.db2.gz CRIYTZIXFWMNIF-JFIYKMOQSA-N 2 1 350.894 2.948 20 30 FFEDMP C=C(Cl)CN1CC[C@@]2(CNC(=O)C[C@@H](C)n3ccnc3)CCC[C@@H]12 ZINC001107561079 984700608 /nfs/dbraw/zinc/70/06/08/984700608.db2.gz CRIYTZIXFWMNIF-JFIYKMOQSA-N 2 1 350.894 2.948 20 30 FFEDMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897149 985374797 /nfs/dbraw/zinc/37/47/97/985374797.db2.gz VMOIWGJBPBDYBV-OPYAIIAOSA-N 2 1 368.525 2.902 20 30 FFEDMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897149 985374808 /nfs/dbraw/zinc/37/48/08/985374808.db2.gz VMOIWGJBPBDYBV-OPYAIIAOSA-N 2 1 368.525 2.902 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C)[C@@H]2C)CC1 ZINC001089059785 986141904 /nfs/dbraw/zinc/14/19/04/986141904.db2.gz BFJBEVJBECHFCK-UTKZUKDTSA-N 2 1 371.500 2.558 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085196605 988781843 /nfs/dbraw/zinc/78/18/43/988781843.db2.gz GZZXJCDBHYBZRA-NJDAHSKKSA-N 2 1 368.525 2.948 20 30 FFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106811272 989213540 /nfs/dbraw/zinc/21/35/40/989213540.db2.gz YUKWKMLIHYKOJF-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP CC(C)C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC1CC[NH+](C)CC1 ZINC000879702503 1015646870 /nfs/dbraw/zinc/64/68/70/1015646870.db2.gz NKUSRBYKIRGMNN-OAQYLSRUSA-N 2 1 373.541 2.792 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001484538597 991659859 /nfs/dbraw/zinc/65/98/59/991659859.db2.gz DCHQZUIMNUBZTE-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079152286 991817427 /nfs/dbraw/zinc/81/74/27/991817427.db2.gz DZXAMVVOBOSJNC-GEALJGNFSA-N 2 1 359.489 2.626 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198773 991873224 /nfs/dbraw/zinc/87/32/24/991873224.db2.gz QZZMYLGZIGULGK-LSTHTHJFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079299181 991954015 /nfs/dbraw/zinc/95/40/15/991954015.db2.gz BDIPWSWSPWWUEQ-CGTJXYLNSA-N 2 1 367.896 2.802 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086695092 995153007 /nfs/dbraw/zinc/15/30/07/995153007.db2.gz AZJMRCDLCKGSGP-HBMCJLEFSA-N 2 1 368.525 2.806 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090874204 997557888 /nfs/dbraw/zinc/55/78/88/997557888.db2.gz FWXQMUMVBUJWIZ-SESVDKBCSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747177 1016239890 /nfs/dbraw/zinc/23/98/90/1016239890.db2.gz NGUCWTQNZCBEFI-CIAFKFPVSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747177 1016239896 /nfs/dbraw/zinc/23/98/96/1016239896.db2.gz NGUCWTQNZCBEFI-CIAFKFPVSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747177 1016239905 /nfs/dbraw/zinc/23/99/05/1016239905.db2.gz NGUCWTQNZCBEFI-CIAFKFPVSA-N 2 1 367.537 2.973 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000737952738 999612638 /nfs/dbraw/zinc/61/26/38/999612638.db2.gz RRJRAVCYVPUBBA-GIVPXCGWSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000737952738 999612639 /nfs/dbraw/zinc/61/26/39/999612639.db2.gz RRJRAVCYVPUBBA-GIVPXCGWSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000737952738 999612641 /nfs/dbraw/zinc/61/26/41/999612641.db2.gz RRJRAVCYVPUBBA-GIVPXCGWSA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000737952738 999612642 /nfs/dbraw/zinc/61/26/42/999612642.db2.gz RRJRAVCYVPUBBA-GIVPXCGWSA-N 2 1 353.510 2.596 20 30 FFEDMP C=CCc1cc(OCC)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000738215053 999622683 /nfs/dbraw/zinc/62/26/83/999622683.db2.gz SCHSVQWZYJEVMT-HXUWFJFHSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCc1cc(OCC)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000738215053 999622686 /nfs/dbraw/zinc/62/26/86/999622686.db2.gz SCHSVQWZYJEVMT-HXUWFJFHSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000745827840 999934351 /nfs/dbraw/zinc/93/43/51/999934351.db2.gz OCTMJDVGXGACDF-WOJBJXKFSA-N 2 1 373.545 2.756 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301885 1000261671 /nfs/dbraw/zinc/26/16/71/1000261671.db2.gz OSOQLQLPKMWIDP-HOJAQTOUSA-N 2 1 373.545 2.526 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001000695327 1016436862 /nfs/dbraw/zinc/43/68/62/1016436862.db2.gz KEUPHOVDPINYGD-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001000695327 1016436870 /nfs/dbraw/zinc/43/68/70/1016436870.db2.gz KEUPHOVDPINYGD-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001000695327 1016436876 /nfs/dbraw/zinc/43/68/76/1016436876.db2.gz KEUPHOVDPINYGD-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001000695327 1016436882 /nfs/dbraw/zinc/43/68/82/1016436882.db2.gz KEUPHOVDPINYGD-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001000695327 1016436890 /nfs/dbraw/zinc/43/68/90/1016436890.db2.gz KEUPHOVDPINYGD-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001109724179 1000899649 /nfs/dbraw/zinc/89/96/49/1000899649.db2.gz FYWPLDKMENBMAZ-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001109724179 1000899654 /nfs/dbraw/zinc/89/96/54/1000899654.db2.gz FYWPLDKMENBMAZ-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001109724179 1000899658 /nfs/dbraw/zinc/89/96/58/1000899658.db2.gz FYWPLDKMENBMAZ-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001109724179 1000899663 /nfs/dbraw/zinc/89/96/63/1000899663.db2.gz FYWPLDKMENBMAZ-AABGKKOBSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110005898 1001279286 /nfs/dbraw/zinc/27/92/86/1001279286.db2.gz JWXHWHNHRMAFSF-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110005898 1001279293 /nfs/dbraw/zinc/27/92/93/1001279293.db2.gz JWXHWHNHRMAFSF-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP COc1ccc(C(N)=[NH+]OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000786893900 1001640092 /nfs/dbraw/zinc/64/00/92/1001640092.db2.gz PAOFCDRCJLWBMH-HXUWFJFHSA-N 2 1 369.465 2.623 20 30 FFEDMP COc1ccc(C(N)=[NH+]OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000786893900 1001640094 /nfs/dbraw/zinc/64/00/94/1001640094.db2.gz PAOFCDRCJLWBMH-HXUWFJFHSA-N 2 1 369.465 2.623 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809346 1001880453 /nfs/dbraw/zinc/88/04/53/1001880453.db2.gz COIJKRLMAGKLGM-AOIWGVFYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809346 1001880471 /nfs/dbraw/zinc/88/04/71/1001880471.db2.gz COIJKRLMAGKLGM-AOIWGVFYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809346 1001880479 /nfs/dbraw/zinc/88/04/79/1001880479.db2.gz COIJKRLMAGKLGM-AOIWGVFYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809346 1001880491 /nfs/dbraw/zinc/88/04/91/1001880491.db2.gz COIJKRLMAGKLGM-AOIWGVFYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001183085792 1002143415 /nfs/dbraw/zinc/14/34/15/1002143415.db2.gz IZEWGMKCXOFESS-MZADTFQBSA-N 2 1 353.510 2.950 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086618227 1003518374 /nfs/dbraw/zinc/51/83/74/1003518374.db2.gz YHVFMHKXWAWSBD-FCHUYYIVSA-N 2 1 367.537 2.714 20 30 FFEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445529 1004172385 /nfs/dbraw/zinc/17/23/85/1004172385.db2.gz LIPSQZKVZYDRBY-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445529 1004172390 /nfs/dbraw/zinc/17/23/90/1004172390.db2.gz LIPSQZKVZYDRBY-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445529 1004172394 /nfs/dbraw/zinc/17/23/94/1004172394.db2.gz LIPSQZKVZYDRBY-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001489117644 1005413681 /nfs/dbraw/zinc/41/36/81/1005413681.db2.gz UASUKLSLMRERSH-PCCBWWKXSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489117644 1005413683 /nfs/dbraw/zinc/41/36/83/1005413683.db2.gz UASUKLSLMRERSH-PCCBWWKXSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489117644 1005413685 /nfs/dbraw/zinc/41/36/85/1005413685.db2.gz UASUKLSLMRERSH-PCCBWWKXSA-N 2 1 368.525 2.902 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001489209546 1005434147 /nfs/dbraw/zinc/43/41/47/1005434147.db2.gz ULTQYWQRMDICAS-MSOLQXFVSA-N 2 1 353.938 2.785 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001489209546 1005434148 /nfs/dbraw/zinc/43/41/48/1005434148.db2.gz ULTQYWQRMDICAS-MSOLQXFVSA-N 2 1 353.938 2.785 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2N1C ZINC001187635753 1006181478 /nfs/dbraw/zinc/18/14/78/1006181478.db2.gz ANDGQJAEVJURBK-PBNJOUANSA-N 2 1 369.509 2.597 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000852867396 1006213053 /nfs/dbraw/zinc/21/30/53/1006213053.db2.gz USTHYBNCHNGJQH-FQEVSTJZSA-N 2 1 373.928 2.814 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000852867396 1006213061 /nfs/dbraw/zinc/21/30/61/1006213061.db2.gz USTHYBNCHNGJQH-FQEVSTJZSA-N 2 1 373.928 2.814 20 30 FFEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045327 1006645678 /nfs/dbraw/zinc/64/56/78/1006645678.db2.gz XRBWSSGCCXKMCM-GHTZIAJQSA-N 2 1 367.537 2.747 20 30 FFEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001189109778 1006886452 /nfs/dbraw/zinc/88/64/52/1006886452.db2.gz DJKGXPOTPQXKAU-PWRODBHTSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001189109778 1006886470 /nfs/dbraw/zinc/88/64/70/1006886470.db2.gz DJKGXPOTPQXKAU-PWRODBHTSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202588448 1007096346 /nfs/dbraw/zinc/09/63/46/1007096346.db2.gz IJQBSYITYIVICW-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884378315 1007401617 /nfs/dbraw/zinc/40/16/17/1007401617.db2.gz OSOPQSAFHVSNAZ-ACIXJAQOSA-N 2 1 372.557 2.629 20 30 FFEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000820489476 1008341191 /nfs/dbraw/zinc/34/11/91/1008341191.db2.gz FXEIPWSDZJGQFU-PMACEKPBSA-N 2 1 374.504 2.558 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000104180304 1009932762 /nfs/dbraw/zinc/93/27/62/1009932762.db2.gz MFHFXUDMQPCBNJ-MRXNPFEDSA-N 2 1 371.460 2.902 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001093224507 1010167762 /nfs/dbraw/zinc/16/77/62/1010167762.db2.gz ZSYIWBJFUYFBRB-WIYYLYMNSA-N 2 1 359.558 2.596 20 30 FFEDMP CC#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001093371803 1010232541 /nfs/dbraw/zinc/23/25/41/1010232541.db2.gz VGHXPBCRZLKRPL-PWRODBHTSA-N 2 1 371.569 2.833 20 30 FFEDMP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371803 1010232550 /nfs/dbraw/zinc/23/25/50/1010232550.db2.gz VGHXPBCRZLKRPL-PWRODBHTSA-N 2 1 371.569 2.833 20 30 FFEDMP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371803 1010232561 /nfs/dbraw/zinc/23/25/61/1010232561.db2.gz VGHXPBCRZLKRPL-PWRODBHTSA-N 2 1 371.569 2.833 20 30 FFEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927973 1011122908 /nfs/dbraw/zinc/12/29/08/1011122908.db2.gz STULCVQXPYALPE-CNDZOEFASA-N 2 1 374.488 2.697 20 30 FFEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927973 1011122913 /nfs/dbraw/zinc/12/29/13/1011122913.db2.gz STULCVQXPYALPE-CNDZOEFASA-N 2 1 374.488 2.697 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC001094582406 1011267132 /nfs/dbraw/zinc/26/71/32/1011267132.db2.gz NPYJMIWBKABSFM-IFMALSPDSA-N 2 1 357.542 2.659 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001274433748 1011441954 /nfs/dbraw/zinc/44/19/54/1011441954.db2.gz XNVIQPBEUYJJRP-IYBDPMFKSA-N 2 1 359.436 2.656 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001172114659 1011644261 /nfs/dbraw/zinc/64/42/61/1011644261.db2.gz OYPPIXPPCLGTSU-WKCHPHFGSA-N 2 1 366.509 2.768 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001172114659 1011644271 /nfs/dbraw/zinc/64/42/71/1011644271.db2.gz OYPPIXPPCLGTSU-WKCHPHFGSA-N 2 1 366.509 2.768 20 30 FFEDMP CC(C)(C)OC(=O)N1CC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[C@H]1C#N ZINC001172988518 1012157047 /nfs/dbraw/zinc/15/70/47/1012157047.db2.gz BUGHVIQFAKUDJI-CVEARBPZSA-N 2 1 359.474 2.814 20 30 FFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2ccncc12 ZINC001275300227 1012241220 /nfs/dbraw/zinc/24/12/20/1012241220.db2.gz QGTNLTUDUYEZOW-FQEVSTJZSA-N 2 1 351.454 2.824 20 30 FFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc2cc[nH]cc1-2 ZINC001275300227 1012241231 /nfs/dbraw/zinc/24/12/31/1012241231.db2.gz QGTNLTUDUYEZOW-FQEVSTJZSA-N 2 1 351.454 2.824 20 30 FFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001275300227 1012241258 /nfs/dbraw/zinc/24/12/58/1012241258.db2.gz QGTNLTUDUYEZOW-FQEVSTJZSA-N 2 1 351.454 2.824 20 30 FFEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001275300227 1012241270 /nfs/dbraw/zinc/24/12/70/1012241270.db2.gz QGTNLTUDUYEZOW-FQEVSTJZSA-N 2 1 351.454 2.824 20 30 FFEDMP C=CCCCCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275337113 1012326906 /nfs/dbraw/zinc/32/69/06/1012326906.db2.gz NQIANBLEFNGOLD-OAQYLSRUSA-N 2 1 365.562 2.626 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCC=C)C[C@H]32)CC1 ZINC001222043761 1032694332 /nfs/dbraw/zinc/69/43/32/1032694332.db2.gz AWSASWPVPIXEIH-NHCUHLMSSA-N 2 1 357.542 2.611 20 30 FFEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704317 1018846964 /nfs/dbraw/zinc/84/69/64/1018846964.db2.gz UTWMPMSAYPHLCE-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704317 1018846982 /nfs/dbraw/zinc/84/69/82/1018846982.db2.gz UTWMPMSAYPHLCE-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704317 1018847001 /nfs/dbraw/zinc/84/70/01/1018847001.db2.gz UTWMPMSAYPHLCE-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCCC3(C#N)CCC3)CC2)CC1 ZINC000929971684 1019784014 /nfs/dbraw/zinc/78/40/14/1019784014.db2.gz LUZFLDWCRWZQMK-UHFFFAOYSA-N 2 1 360.546 2.727 20 30 FFEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@]1(C)CCCCO1 ZINC000902795512 1020481845 /nfs/dbraw/zinc/48/18/45/1020481845.db2.gz DCKPWVBOTPFAJF-FPOVZHCZSA-N 2 1 365.562 2.813 20 30 FFEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2=O)cc1 ZINC000903148145 1020704271 /nfs/dbraw/zinc/70/42/71/1020704271.db2.gz XMZALBQWKAUVIT-QNKZKCNHSA-N 2 1 364.493 2.801 20 30 FFEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2=O)cc1 ZINC000903148145 1020704279 /nfs/dbraw/zinc/70/42/79/1020704279.db2.gz XMZALBQWKAUVIT-QNKZKCNHSA-N 2 1 364.493 2.801 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001098459350 1020926011 /nfs/dbraw/zinc/92/60/11/1020926011.db2.gz JWUSFGBHSMQWAG-NJYVYQBISA-N 2 1 357.542 2.633 20 30 FFEDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(C#N)cc3)cc2F)CC1 ZINC001118565007 1022291454 /nfs/dbraw/zinc/29/14/54/1022291454.db2.gz HVOQJBJYTYNNGD-UHFFFAOYSA-N 2 1 352.457 2.781 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000948385879 1023247058 /nfs/dbraw/zinc/24/70/58/1023247058.db2.gz QIERDOQEVZZKRI-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000948385879 1023247067 /nfs/dbraw/zinc/24/70/67/1023247067.db2.gz QIERDOQEVZZKRI-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000948385879 1023247074 /nfs/dbraw/zinc/24/70/74/1023247074.db2.gz QIERDOQEVZZKRI-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001111298730 1023672944 /nfs/dbraw/zinc/67/29/44/1023672944.db2.gz OCXILMAWRMXKMY-NJYVYQBISA-N 2 1 371.500 2.631 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001111298730 1023672948 /nfs/dbraw/zinc/67/29/48/1023672948.db2.gz OCXILMAWRMXKMY-NJYVYQBISA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101440197 1024747036 /nfs/dbraw/zinc/74/70/36/1024747036.db2.gz KEGZNNPZEYALPZ-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101440197 1024747044 /nfs/dbraw/zinc/74/70/44/1024747044.db2.gz KEGZNNPZEYALPZ-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101542964 1024884568 /nfs/dbraw/zinc/88/45/68/1024884568.db2.gz KSYGCXRZDQREAJ-NVXWUHKLSA-N 2 1 355.954 2.934 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059322 1025376905 /nfs/dbraw/zinc/37/69/05/1025376905.db2.gz KUPVPLSYRBJINN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059322 1025376921 /nfs/dbraw/zinc/37/69/21/1025376921.db2.gz KUPVPLSYRBJINN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059322 1025376937 /nfs/dbraw/zinc/37/69/37/1025376937.db2.gz KUPVPLSYRBJINN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001102388139 1025867690 /nfs/dbraw/zinc/86/76/90/1025867690.db2.gz VAIICZUZIRIARS-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001102388139 1025867696 /nfs/dbraw/zinc/86/76/96/1025867696.db2.gz VAIICZUZIRIARS-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001102388139 1025867708 /nfs/dbraw/zinc/86/77/08/1025867708.db2.gz VAIICZUZIRIARS-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484814 1026091644 /nfs/dbraw/zinc/09/16/44/1026091644.db2.gz YBYKAAQALQJCLF-FGTMMUONSA-N 2 1 367.497 2.920 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484814 1026091663 /nfs/dbraw/zinc/09/16/63/1026091663.db2.gz YBYKAAQALQJCLF-FGTMMUONSA-N 2 1 367.497 2.920 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001102504576 1026153848 /nfs/dbraw/zinc/15/38/48/1026153848.db2.gz URDYJBXKAAQEOD-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504576 1026153858 /nfs/dbraw/zinc/15/38/58/1026153858.db2.gz URDYJBXKAAQEOD-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504576 1026153860 /nfs/dbraw/zinc/15/38/60/1026153860.db2.gz URDYJBXKAAQEOD-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC001141573240 1026595393 /nfs/dbraw/zinc/59/53/93/1026595393.db2.gz RNMDSOARMDMWFC-SFHVURJKSA-N 2 1 373.545 2.829 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC001141573240 1026595402 /nfs/dbraw/zinc/59/54/02/1026595402.db2.gz RNMDSOARMDMWFC-SFHVURJKSA-N 2 1 373.545 2.829 20 30 FFEDMP C=CCN1CCN(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000840035865 1026922850 /nfs/dbraw/zinc/92/28/50/1026922850.db2.gz OOINEADXYKWNNY-UHFFFAOYSA-N 2 1 368.525 2.856 20 30 FFEDMP C=CCN1CCN(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000840035865 1026922856 /nfs/dbraw/zinc/92/28/56/1026922856.db2.gz OOINEADXYKWNNY-UHFFFAOYSA-N 2 1 368.525 2.856 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001103436074 1027481477 /nfs/dbraw/zinc/48/14/77/1027481477.db2.gz JLGGNILAMAFEJA-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001103436074 1027481489 /nfs/dbraw/zinc/48/14/89/1027481489.db2.gz JLGGNILAMAFEJA-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001103436074 1027481495 /nfs/dbraw/zinc/48/14/95/1027481495.db2.gz JLGGNILAMAFEJA-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP N#Cc1ccc(-c2ccc(F)cc2)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160510031 1027730904 /nfs/dbraw/zinc/73/09/04/1027730904.db2.gz DTKVQOCTJCXFTQ-FQEVSTJZSA-N 2 1 351.429 2.594 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757346 1028146814 /nfs/dbraw/zinc/14/68/14/1028146814.db2.gz WXWVRPCEOMIFDL-KBAYOESNSA-N 2 1 355.954 2.934 20 30 FFEDMP N#Cc1cc(-c2ccnc(Cl)n2)c(NCC[NH+]2CCC([NH3+])CC2)cc1F ZINC001161866991 1028339317 /nfs/dbraw/zinc/33/93/17/1028339317.db2.gz ADILAXCUCAEOGB-UHFFFAOYSA-N 2 1 374.851 2.643 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cnc(C[NH3+])c2C(=O)OCC)cc1 ZINC001162541190 1028575436 /nfs/dbraw/zinc/57/54/36/1028575436.db2.gz RASGSJNHAJVURU-SFHVURJKSA-N 2 1 354.454 2.831 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001157978111 1029698699 /nfs/dbraw/zinc/69/86/99/1029698699.db2.gz MNRMDWDMHPMXGC-CEMLEFRQSA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001157978111 1029698703 /nfs/dbraw/zinc/69/87/03/1029698703.db2.gz MNRMDWDMHPMXGC-CEMLEFRQSA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001157978111 1029698708 /nfs/dbraw/zinc/69/87/08/1029698708.db2.gz MNRMDWDMHPMXGC-CEMLEFRQSA-N 2 1 367.537 2.691 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206475 1030240579 /nfs/dbraw/zinc/24/05/79/1030240579.db2.gz QVGRNRDXWCSUQI-BZUAXINKSA-N 2 1 361.452 2.663 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204754876 1031427332 /nfs/dbraw/zinc/42/73/32/1031427332.db2.gz BEBXWLFXMBNVNE-NRFANRHFSA-N 2 1 350.466 2.876 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204754876 1031427341 /nfs/dbraw/zinc/42/73/41/1031427341.db2.gz BEBXWLFXMBNVNE-NRFANRHFSA-N 2 1 350.466 2.876 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205417212 1031728265 /nfs/dbraw/zinc/72/82/65/1031728265.db2.gz USYIOUFIQROIAH-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205678955 1031928740 /nfs/dbraw/zinc/92/87/40/1031928740.db2.gz YGSCHQLLUHKATG-XKGZKEIXSA-N 2 1 359.489 2.628 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000829768273 1033326523 /nfs/dbraw/zinc/32/65/23/1033326523.db2.gz AZXWBIQVYRXDCW-LJQANCHMSA-N 2 1 368.525 2.502 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223962190 1033663476 /nfs/dbraw/zinc/66/34/76/1033663476.db2.gz KRUOACOGVOKGAD-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223962190 1033663486 /nfs/dbraw/zinc/66/34/86/1033663486.db2.gz KRUOACOGVOKGAD-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223962190 1033663493 /nfs/dbraw/zinc/66/34/93/1033663493.db2.gz KRUOACOGVOKGAD-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001227091393 1034932444 /nfs/dbraw/zinc/93/24/44/1034932444.db2.gz LYBPENXKEQCOLQ-NJYVYQBISA-N 2 1 371.500 2.679 20 30 FFEDMP C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)C1CC[NH+](C)CC1 ZINC001227455194 1035561482 /nfs/dbraw/zinc/56/14/82/1035561482.db2.gz AMMCEZZEQQHZGF-GOSISDBHSA-N 2 1 362.562 2.626 20 30 FFEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(C#N)nc3)CC[C@@H]21 ZINC001140543200 1035599801 /nfs/dbraw/zinc/59/98/01/1035599801.db2.gz LZCNFPVOSHMEOK-GIVPXCGWSA-N 2 1 364.497 2.523 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001229615428 1036778306 /nfs/dbraw/zinc/77/83/06/1036778306.db2.gz JYLWJRNZNTVSLE-VAMGGRTRSA-N 2 1 365.562 2.861 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001230280353 1037190944 /nfs/dbraw/zinc/19/09/44/1037190944.db2.gz VBKSRYKKKQQVDI-RTBURBONSA-N 2 1 360.477 2.555 20 30 FFEDMP C=CCOC[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001207483058 1037478785 /nfs/dbraw/zinc/47/87/85/1037478785.db2.gz SLTARQZDCTUMBI-LJQANCHMSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@H]1C[N@H+](CCC2CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001207483058 1037478789 /nfs/dbraw/zinc/47/87/89/1037478789.db2.gz SLTARQZDCTUMBI-LJQANCHMSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235521906 1037605541 /nfs/dbraw/zinc/60/55/41/1037605541.db2.gz KWHLKGVCGOHKJY-FCHUYYIVSA-N 2 1 356.510 2.906 20 30 FFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(C#N)cc1)C2 ZINC001208922947 1038590854 /nfs/dbraw/zinc/59/08/54/1038590854.db2.gz LQNFPFDOMGNVLK-YADHBBJMSA-N 2 1 353.510 2.781 20 30 FFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208922947 1038590857 /nfs/dbraw/zinc/59/08/57/1038590857.db2.gz LQNFPFDOMGNVLK-YADHBBJMSA-N 2 1 353.510 2.781 20 30 FFEDMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)C(C)C ZINC001209585873 1039020797 /nfs/dbraw/zinc/02/07/97/1039020797.db2.gz RODHKSIIBAINTR-FCEUIQTBSA-N 2 1 369.553 2.841 20 30 FFEDMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)C(C)C ZINC001209585873 1039020814 /nfs/dbraw/zinc/02/08/14/1039020814.db2.gz RODHKSIIBAINTR-FCEUIQTBSA-N 2 1 369.553 2.841 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001247000162 1039570128 /nfs/dbraw/zinc/57/01/28/1039570128.db2.gz HFVMRKDLNRCALJ-AABGKKOBSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001247000162 1039570140 /nfs/dbraw/zinc/57/01/40/1039570140.db2.gz HFVMRKDLNRCALJ-AABGKKOBSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001252595868 1039605724 /nfs/dbraw/zinc/60/57/24/1039605724.db2.gz KTEBRWFNUBLXSV-SFTDATJTSA-N 2 1 373.541 2.712 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001252595866 1039606106 /nfs/dbraw/zinc/60/61/06/1039606106.db2.gz KTEBRWFNUBLXSV-NHCUHLMSSA-N 2 1 373.541 2.712 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001278734574 1040294346 /nfs/dbraw/zinc/29/43/46/1040294346.db2.gz BINLFMLJJSLFEJ-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP N#CC1(c2ccc(F)cc2)CCC(N2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001254351771 1040682340 /nfs/dbraw/zinc/68/23/40/1040682340.db2.gz SVWIIZKMHIJNTN-UHFFFAOYSA-N 2 1 358.505 2.886 20 30 FFEDMP CC(=O)N1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254420815 1040710197 /nfs/dbraw/zinc/71/01/97/1040710197.db2.gz BDQFFUANFHWSMY-MXVIHJGJSA-N 2 1 354.498 2.641 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001254665906 1040865969 /nfs/dbraw/zinc/86/59/69/1040865969.db2.gz RJLKMYHGAWJGGC-UYAOXDASSA-N 2 1 354.498 2.688 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921702 1041074757 /nfs/dbraw/zinc/07/47/57/1041074757.db2.gz HXAQEFGCKJEVGA-NSISKUIASA-N 2 1 359.514 2.532 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001263884086 1042506786 /nfs/dbraw/zinc/50/67/86/1042506786.db2.gz APNVAAZZSFTXAH-XUVXKRRUSA-N 2 1 361.505 2.827 20 30 FFEDMP C=CCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001279231365 1042956678 /nfs/dbraw/zinc/95/66/78/1042956678.db2.gz PNJZEHMQIZRYBI-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001279231365 1042956684 /nfs/dbraw/zinc/95/66/84/1042956684.db2.gz PNJZEHMQIZRYBI-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)cc1 ZINC001279231365 1042956690 /nfs/dbraw/zinc/95/66/90/1042956690.db2.gz PNJZEHMQIZRYBI-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cc1 ZINC001279231365 1042956695 /nfs/dbraw/zinc/95/66/95/1042956695.db2.gz PNJZEHMQIZRYBI-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cc1 ZINC001279231365 1042956700 /nfs/dbraw/zinc/95/67/00/1042956700.db2.gz PNJZEHMQIZRYBI-OYRHEFFESA-N 2 1 357.542 2.957 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)cc1C#N ZINC001279475137 1043157641 /nfs/dbraw/zinc/15/76/41/1043157641.db2.gz WRUNWIOCJLZLIO-HXUWFJFHSA-N 2 1 356.514 2.754 20 30 FFEDMP C=CCCCC[N@@H+]1CCc2onc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001279719613 1043523884 /nfs/dbraw/zinc/52/38/84/1043523884.db2.gz CRYWUBSGXGQOKQ-UHFFFAOYSA-N 2 1 360.502 2.555 20 30 FFEDMP C=CCCCC[N@H+]1CCc2onc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001279719613 1043523892 /nfs/dbraw/zinc/52/38/92/1043523892.db2.gz CRYWUBSGXGQOKQ-UHFFFAOYSA-N 2 1 360.502 2.555 20 30 FFEDMP C=CCCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001279832601 1043738530 /nfs/dbraw/zinc/73/85/30/1043738530.db2.gz QVUZAAYTZYDOBV-LJQANCHMSA-N 2 1 363.546 2.567 20 30 FFEDMP CCCCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001279870336 1043806353 /nfs/dbraw/zinc/80/63/53/1043806353.db2.gz CGLXTZOAOCITCU-LJQANCHMSA-N 2 1 365.562 2.791 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc2ccccc2C#N)C2CC2)CC[N@H+]1C ZINC001283503733 1046391909 /nfs/dbraw/zinc/39/19/09/1046391909.db2.gz VVFGEHBTQBBVMP-PWRODBHTSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339719119 1050151278 /nfs/dbraw/zinc/15/12/78/1050151278.db2.gz HKRPSZDUBAKBFX-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001341755789 1050373244 /nfs/dbraw/zinc/37/32/44/1050373244.db2.gz JQRUGYBAHWMZEF-UHFFFAOYSA-N 2 1 374.577 2.974 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001342246931 1050837889 /nfs/dbraw/zinc/83/78/89/1050837889.db2.gz GGXMCYXPJOCGKM-SFHVURJKSA-N 2 1 374.577 2.974 20 30 FFEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001340599345 1050983420 /nfs/dbraw/zinc/98/34/20/1050983420.db2.gz GEOJMNSDNJWOMC-QGZVFWFLSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556062 1058566158 /nfs/dbraw/zinc/56/61/58/1058566158.db2.gz WCUUNKHAGYCUFP-HSALFYBXSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001355888863 1060698055 /nfs/dbraw/zinc/69/80/55/1060698055.db2.gz RLVMHHMEJBCMBB-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001479578685 1062573721 /nfs/dbraw/zinc/57/37/21/1062573721.db2.gz PLROJHPCGHTUOL-XLIONFOSSA-N 2 1 356.514 2.617 20 30 FFEDMP C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966812 1079289922 /nfs/dbraw/zinc/28/99/22/1079289922.db2.gz UOBYQOHLQBQDJB-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001565883364 1076778471 /nfs/dbraw/zinc/77/84/71/1076778471.db2.gz IHXVRZWYXHMHSF-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+](CC)CC ZINC001566103278 1076907480 /nfs/dbraw/zinc/90/74/80/1076907480.db2.gz DIZPYPBRRWEMFL-LSTHTHJFSA-N 2 1 356.514 2.758 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+](CC)CC ZINC001566103278 1076907485 /nfs/dbraw/zinc/90/74/85/1076907485.db2.gz DIZPYPBRRWEMFL-LSTHTHJFSA-N 2 1 356.514 2.758 20 30 FFEDMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001570684373 1077221969 /nfs/dbraw/zinc/22/19/69/1077221969.db2.gz RLJLJPDCZJBTGV-UXHICEINSA-N 2 1 357.542 2.982 20 30 FFEDMP N#CCCN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047971349 507425764 /nfs/dbraw/zinc/42/57/64/507425764.db2.gz JSJDPQNHWDJBRW-UHFFFAOYSA-N 2 1 354.498 2.741 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072965902 507877700 /nfs/dbraw/zinc/87/77/00/507877700.db2.gz CECLYNWSEUVHBD-NRSPTQNISA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072965902 507877703 /nfs/dbraw/zinc/87/77/03/507877703.db2.gz CECLYNWSEUVHBD-NRSPTQNISA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072965902 507877706 /nfs/dbraw/zinc/87/77/06/507877706.db2.gz CECLYNWSEUVHBD-NRSPTQNISA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072965902 507877709 /nfs/dbraw/zinc/87/77/09/507877709.db2.gz CECLYNWSEUVHBD-NRSPTQNISA-N 2 1 371.525 2.884 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092801832 508102169 /nfs/dbraw/zinc/10/21/69/508102169.db2.gz LIMUMZKRFKQEIO-NHCUHLMSSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092801832 508102171 /nfs/dbraw/zinc/10/21/71/508102171.db2.gz LIMUMZKRFKQEIO-NHCUHLMSSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092801832 508102174 /nfs/dbraw/zinc/10/21/74/508102174.db2.gz LIMUMZKRFKQEIO-NHCUHLMSSA-N 2 1 368.525 2.735 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728495 512422443 /nfs/dbraw/zinc/42/24/43/512422443.db2.gz UQDOOALNXMEQOA-AHTKWCMKSA-N 2 1 350.547 2.819 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000126207618 509071608 /nfs/dbraw/zinc/07/16/08/509071608.db2.gz HPIYDAXJPKPLOO-GOSISDBHSA-N 2 1 350.551 2.694 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179274212 509350763 /nfs/dbraw/zinc/35/07/63/509350763.db2.gz XVRLZIADONPDQZ-UHFFFAOYSA-N 2 1 358.530 2.847 20 30 FFEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000267134611 509359904 /nfs/dbraw/zinc/35/99/04/509359904.db2.gz DBRTYIHYRMHDCU-CQSZACIVSA-N 2 1 362.421 2.749 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182917770 509494704 /nfs/dbraw/zinc/49/47/04/509494704.db2.gz LWQWLKMFMQCNIE-LJQANCHMSA-N 2 1 351.454 2.581 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182917770 509494712 /nfs/dbraw/zinc/49/47/12/509494712.db2.gz LWQWLKMFMQCNIE-LJQANCHMSA-N 2 1 351.454 2.581 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000183139651 509621234 /nfs/dbraw/zinc/62/12/34/509621234.db2.gz YCDOZHZCTCVZML-FOIQADDNSA-N 2 1 353.470 2.886 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186769219 509893566 /nfs/dbraw/zinc/89/35/66/509893566.db2.gz WZEILBZDPQMBCR-QFIPXVFZSA-N 2 1 370.541 2.991 20 30 FFEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1ccc2c(c1)CCC2 ZINC000262267756 510226475 /nfs/dbraw/zinc/22/64/75/510226475.db2.gz UDRSSIGFXQEOFV-NRFANRHFSA-N 2 1 364.493 2.669 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171715417 510327800 /nfs/dbraw/zinc/32/78/00/510327800.db2.gz XOJSLGNBEUQJRR-FQEVSTJZSA-N 2 1 356.514 2.601 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000171734083 510337850 /nfs/dbraw/zinc/33/78/50/510337850.db2.gz CJYIBLVSDLZJEG-FQEVSTJZSA-N 2 1 370.541 2.501 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246804356 510685196 /nfs/dbraw/zinc/68/51/96/510685196.db2.gz NAVHPAQSAPKYSF-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246804356 510685203 /nfs/dbraw/zinc/68/52/03/510685203.db2.gz NAVHPAQSAPKYSF-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246804356 510685211 /nfs/dbraw/zinc/68/52/11/510685211.db2.gz NAVHPAQSAPKYSF-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246804356 510685222 /nfs/dbraw/zinc/68/52/22/510685222.db2.gz NAVHPAQSAPKYSF-FXAWDEMLSA-N 2 1 352.482 2.836 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000191495688 510686652 /nfs/dbraw/zinc/68/66/52/510686652.db2.gz DWVBPANPNFTRQS-UHFFFAOYSA-N 2 1 359.518 2.842 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000191495688 510686662 /nfs/dbraw/zinc/68/66/62/510686662.db2.gz DWVBPANPNFTRQS-UHFFFAOYSA-N 2 1 359.518 2.842 20 30 FFEDMP N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015311 510800039 /nfs/dbraw/zinc/80/00/39/510800039.db2.gz XQINITVBQONRJI-WMQCIHAUSA-N 2 1 364.493 2.612 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000299432037 511633500 /nfs/dbraw/zinc/63/35/00/511633500.db2.gz QNGMSSMWBVOVSF-UHFFFAOYSA-N 2 1 356.514 2.618 20 30 FFEDMP C[C@H](NC(=O)NCc1cn2c(n1)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329717663 512089837 /nfs/dbraw/zinc/08/98/37/512089837.db2.gz XVLZZOKMIYOTGP-HOTGVXAUSA-N 2 1 359.518 2.876 20 30 FFEDMP Cc1cc(C#N)cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000367426292 512493414 /nfs/dbraw/zinc/49/34/14/512493414.db2.gz NEXJTMBSUQDOGM-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP N#CCSCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367602582 512579726 /nfs/dbraw/zinc/57/97/26/512579726.db2.gz UUKPVJQVGHVJIC-FQEVSTJZSA-N 2 1 358.555 2.525 20 30 FFEDMP C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050967 512779892 /nfs/dbraw/zinc/77/98/92/512779892.db2.gz IZGDKRVLASAJQV-NRFANRHFSA-N 2 1 370.541 2.969 20 30 FFEDMP C=CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC1CCCCC1 ZINC000484564654 514692561 /nfs/dbraw/zinc/69/25/61/514692561.db2.gz HDQWQDKETUQOSZ-FQEVSTJZSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC1CCCCC1 ZINC000484564654 514692570 /nfs/dbraw/zinc/69/25/70/514692570.db2.gz HDQWQDKETUQOSZ-FQEVSTJZSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC1CCCCC1 ZINC000484564654 514692580 /nfs/dbraw/zinc/69/25/80/514692580.db2.gz HDQWQDKETUQOSZ-FQEVSTJZSA-N 2 1 365.562 2.528 20 30 FFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000503184410 514946963 /nfs/dbraw/zinc/94/69/63/514946963.db2.gz ZWAFSTOLTYSINW-VQTJNVASSA-N 2 1 356.514 2.665 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738365 516110095 /nfs/dbraw/zinc/11/00/95/516110095.db2.gz GBCZRLLNSVXDBD-CTNGQTDRSA-N 2 1 362.562 2.812 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000521862782 517879315 /nfs/dbraw/zinc/87/93/15/517879315.db2.gz JYNBTCLGZDWUAX-MRXNPFEDSA-N 2 1 358.404 2.685 20 30 FFEDMP CN(CCC[N@@H+](C)CCC(=O)Nc1sccc1C#N)Cc1ccco1 ZINC000560539807 517882070 /nfs/dbraw/zinc/88/20/70/517882070.db2.gz IFWNNHFVJJGBJV-UHFFFAOYSA-N 2 1 360.483 2.995 20 30 FFEDMP C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567559 519020871 /nfs/dbraw/zinc/02/08/71/519020871.db2.gz UBJZICGDMLWCLM-DSKINZAPSA-N 2 1 371.525 2.735 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000568975682 519312579 /nfs/dbraw/zinc/31/25/79/519312579.db2.gz IRKMXXJQKRIRNS-OAHLLOKOSA-N 2 1 358.404 2.685 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000602877375 519943684 /nfs/dbraw/zinc/94/36/84/519943684.db2.gz MMOPIDRZRXJJDW-UHFFFAOYSA-N 2 1 368.525 2.968 20 30 FFEDMP C[NH+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000609046509 520182333 /nfs/dbraw/zinc/18/23/33/520182333.db2.gz CGQROBJDBKBTKU-UHFFFAOYSA-N 2 1 362.905 2.860 20 30 FFEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600722523 520423974 /nfs/dbraw/zinc/42/39/74/520423974.db2.gz GULSDRZQABZPLU-GHTZIAJQSA-N 2 1 371.525 2.873 20 30 FFEDMP C[C@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725022 520426504 /nfs/dbraw/zinc/42/65/04/520426504.db2.gz AKEFRTCHARMUPH-QUCCMNQESA-N 2 1 359.514 2.558 20 30 FFEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CC3(C#N)CC3)CC2)cs1 ZINC000600725714 520426789 /nfs/dbraw/zinc/42/67/89/520426789.db2.gz JYOBOQVRYRFGFY-QGZVFWFLSA-N 2 1 362.543 2.562 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000614178411 520837844 /nfs/dbraw/zinc/83/78/44/520837844.db2.gz AOCIEMOXONBSAT-NQIIRXRSSA-N 2 1 354.542 2.946 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(NCc3ccc(C[NH3+])cc3F)CC2)cc1 ZINC000593322526 520910138 /nfs/dbraw/zinc/91/01/38/520910138.db2.gz OGHWQLNRNMANEB-UHFFFAOYSA-N 2 1 352.457 2.910 20 30 FFEDMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593339301 520921859 /nfs/dbraw/zinc/92/18/59/520921859.db2.gz HFRIEBXOUWACRY-KRWDZBQOSA-N 2 1 371.529 2.552 20 30 FFEDMP N#CCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000611587610 521239395 /nfs/dbraw/zinc/23/93/95/521239395.db2.gz FZQIAWYECKXGHU-ILWGZMRPSA-N 2 1 352.526 2.865 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134549569 728730920 /nfs/dbraw/zinc/73/09/20/728730920.db2.gz XWFAAVUWTJAVPG-CJNGLKHVSA-N 2 1 370.925 2.835 20 30 FFEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178676296 729167443 /nfs/dbraw/zinc/16/74/43/729167443.db2.gz POVPWZYAJIZTCW-MRXNPFEDSA-N 2 1 365.905 2.633 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(F)(F)F)cc1 ZINC000303873209 729734997 /nfs/dbraw/zinc/73/49/97/729734997.db2.gz CIFLNWJOWBQXLE-AWEZNQCLSA-N 2 1 358.408 2.516 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974855 732306004 /nfs/dbraw/zinc/30/60/04/732306004.db2.gz VQFAYIVUNWLLGS-ROUUACIJSA-N 2 1 361.917 2.875 20 30 FFEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000887130464 733881651 /nfs/dbraw/zinc/88/16/51/733881651.db2.gz DWAWKSBICSQFOM-CQSZACIVSA-N 2 1 355.467 2.554 20 30 FFEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999441808 742061927 /nfs/dbraw/zinc/06/19/27/742061927.db2.gz FXRUIBZPLUCIIV-GMNCBBECSA-N 2 1 361.917 2.663 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112165290 968154814 /nfs/dbraw/zinc/15/48/14/968154814.db2.gz ZVAMSEJQKITGMV-MCIONIFRSA-N 2 1 369.859 2.838 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001023993962 968404217 /nfs/dbraw/zinc/40/42/17/968404217.db2.gz VFEDBWKZPXQWSW-PCCBWWKXSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104594597 969896884 /nfs/dbraw/zinc/89/68/84/969896884.db2.gz AKJFZZOKOJNHFI-XYPHTWIQSA-N 2 1 364.921 2.581 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087840203 970522733 /nfs/dbraw/zinc/52/27/33/970522733.db2.gz LXLDMHORVWZTMP-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087840203 970522738 /nfs/dbraw/zinc/52/27/38/970522738.db2.gz LXLDMHORVWZTMP-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087840203 970522746 /nfs/dbraw/zinc/52/27/46/970522746.db2.gz LXLDMHORVWZTMP-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000305796872 974253706 /nfs/dbraw/zinc/25/37/06/974253706.db2.gz AXHRJOZYDNFPHG-XLIONFOSSA-N 2 1 360.546 2.872 20 30 FFEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000305796870 1014211196 /nfs/dbraw/zinc/21/11/96/1014211196.db2.gz AXHRJOZYDNFPHG-PXNSSMCTSA-N 2 1 360.546 2.872 20 30 FFEDMP C=CCN(CC=C)CCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167833634 976340256 /nfs/dbraw/zinc/34/02/56/976340256.db2.gz CSGWWTJVXSBXOV-NRFANRHFSA-N 2 1 350.595 2.789 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@H]12 ZINC000990744501 976798661 /nfs/dbraw/zinc/79/86/61/976798661.db2.gz VBHNGDQQJSVYHD-IWQHBPENSA-N 2 1 368.525 2.843 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001087436859 977044914 /nfs/dbraw/zinc/04/49/14/977044914.db2.gz OPZFYQVOLJVBLW-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001087436859 977044927 /nfs/dbraw/zinc/04/49/27/977044927.db2.gz OPZFYQVOLJVBLW-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001087436859 977044937 /nfs/dbraw/zinc/04/49/37/977044937.db2.gz OPZFYQVOLJVBLW-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001087436859 977044950 /nfs/dbraw/zinc/04/49/50/977044950.db2.gz OPZFYQVOLJVBLW-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443445 977588075 /nfs/dbraw/zinc/58/80/75/977588075.db2.gz MUZUDMLGJVFOFQ-NJDAHSKKSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443445 977588081 /nfs/dbraw/zinc/58/80/81/977588081.db2.gz MUZUDMLGJVFOFQ-NJDAHSKKSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443445 977588089 /nfs/dbraw/zinc/58/80/89/977588089.db2.gz MUZUDMLGJVFOFQ-NJDAHSKKSA-N 2 1 355.526 2.879 20 30 FFEDMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500075 /nfs/dbraw/zinc/50/00/75/1014500075.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 2 1 357.498 2.912 20 30 FFEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)c1 ZINC001076046819 979061889 /nfs/dbraw/zinc/06/18/89/979061889.db2.gz NMHYXZMPZYSCRE-GHTZIAJQSA-N 2 1 371.444 2.552 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621674 981965090 /nfs/dbraw/zinc/96/50/90/981965090.db2.gz NZAQNNARADQNNL-FCEUIQTBSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621674 981965098 /nfs/dbraw/zinc/96/50/98/981965098.db2.gz NZAQNNARADQNNL-FCEUIQTBSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621674 981965104 /nfs/dbraw/zinc/96/51/04/981965104.db2.gz NZAQNNARADQNNL-FCEUIQTBSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088621674 981965110 /nfs/dbraw/zinc/96/51/10/981965110.db2.gz NZAQNNARADQNNL-FCEUIQTBSA-N 2 1 367.537 2.880 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H]1C ZINC001088692909 982794328 /nfs/dbraw/zinc/79/43/28/982794328.db2.gz CUZPEPPSAZFYGF-QMMLZNLJSA-N 2 1 368.525 2.758 20 30 FFEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544087 984660827 /nfs/dbraw/zinc/66/08/27/984660827.db2.gz LJOWIUVVYOYZAB-SFHLNBCPSA-N 2 1 365.562 2.670 20 30 FFEDMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897552 985365205 /nfs/dbraw/zinc/36/52/05/985365205.db2.gz NJSKQUMBKMSYRK-LQWHRVPQSA-N 2 1 368.525 2.902 20 30 FFEDMP C#CCN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000922328289 988422593 /nfs/dbraw/zinc/42/25/93/988422593.db2.gz AUXOIBWPFWFJJV-HXUWFJFHSA-N 2 1 360.546 2.523 20 30 FFEDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)[C@H]1C(C)C ZINC000922392593 988552660 /nfs/dbraw/zinc/55/26/60/988552660.db2.gz DYJCLKSSUIFDMU-VURPSTOHSA-N 2 1 357.498 2.526 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000923327644 991063252 /nfs/dbraw/zinc/06/32/52/991063252.db2.gz FLNOKDWGSIWPBX-ZCNNSNEGSA-N 2 1 374.525 2.627 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050523 992274889 /nfs/dbraw/zinc/27/48/89/992274889.db2.gz WTJYIOYZMBKPJG-HKBOAZHASA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050523 992274894 /nfs/dbraw/zinc/27/48/94/992274894.db2.gz WTJYIOYZMBKPJG-HKBOAZHASA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050523 992274903 /nfs/dbraw/zinc/27/49/03/992274903.db2.gz WTJYIOYZMBKPJG-HKBOAZHASA-N 2 1 367.537 2.572 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080310683 992943149 /nfs/dbraw/zinc/94/31/49/992943149.db2.gz ANYSEFCPRSVCTM-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080310683 992943158 /nfs/dbraw/zinc/94/31/58/992943158.db2.gz ANYSEFCPRSVCTM-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080310683 992943167 /nfs/dbraw/zinc/94/31/67/992943167.db2.gz ANYSEFCPRSVCTM-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080310991 992945991 /nfs/dbraw/zinc/94/59/91/992945991.db2.gz MNOKLXOKXPMHJR-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080310991 992945997 /nfs/dbraw/zinc/94/59/97/992945997.db2.gz MNOKLXOKXPMHJR-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080310991 992946005 /nfs/dbraw/zinc/94/60/05/992946005.db2.gz MNOKLXOKXPMHJR-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081125952 993722286 /nfs/dbraw/zinc/72/22/86/993722286.db2.gz YLMQEBOQZIKAPX-ZCNNSNEGSA-N 2 1 364.493 2.921 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081213912 993727599 /nfs/dbraw/zinc/72/75/99/993727599.db2.gz VMHYZECMBITDHE-NZSAHSFTSA-N 2 1 361.917 2.665 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133255 /nfs/dbraw/zinc/13/32/55/994133255.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133261 /nfs/dbraw/zinc/13/32/61/994133261.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133264 /nfs/dbraw/zinc/13/32/64/994133264.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](OC)C1 ZINC001082392564 994522240 /nfs/dbraw/zinc/52/22/40/994522240.db2.gz OROQOGVYWVRTBW-IEBWSBKVSA-N 2 1 363.502 2.517 20 30 FFEDMP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001133398491 995490881 /nfs/dbraw/zinc/49/08/81/995490881.db2.gz ZCTYKFTXOBVJJG-VQIMIIECSA-N 2 1 361.917 2.622 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000730098590 996847597 /nfs/dbraw/zinc/84/75/97/996847597.db2.gz KJQOSVDTKQIMQZ-NRFANRHFSA-N 2 1 353.510 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000730098590 996847606 /nfs/dbraw/zinc/84/76/06/996847606.db2.gz KJQOSVDTKQIMQZ-NRFANRHFSA-N 2 1 353.510 2.776 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000730106006 996853602 /nfs/dbraw/zinc/85/36/02/996853602.db2.gz VEMXFEARDZTVNI-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000730106006 996853619 /nfs/dbraw/zinc/85/36/19/996853619.db2.gz VEMXFEARDZTVNI-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000730106006 996853637 /nfs/dbraw/zinc/85/36/37/996853637.db2.gz VEMXFEARDZTVNI-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000730106006 996853654 /nfs/dbraw/zinc/85/36/54/996853654.db2.gz VEMXFEARDZTVNI-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000733321480 998962300 /nfs/dbraw/zinc/96/23/00/998962300.db2.gz DJGNSKDSICTTJJ-HXUWFJFHSA-N 2 1 369.534 2.838 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733329329 998964124 /nfs/dbraw/zinc/96/41/24/998964124.db2.gz QINYNEYZSKEDLB-NRFANRHFSA-N 2 1 356.514 2.769 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085217802 999185394 /nfs/dbraw/zinc/18/53/94/999185394.db2.gz RLFVDCJNLQXTQE-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ccccc2)CC1 ZINC001096605438 1016343513 /nfs/dbraw/zinc/34/35/13/1016343513.db2.gz PCBJSZRFPYXYKB-GFRNBQLOSA-N 2 1 365.521 2.814 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C)cc2)CC1 ZINC001096608558 1016345770 /nfs/dbraw/zinc/34/57/70/1016345770.db2.gz YNMARIAHHXMGFR-FSSWDIPSSA-N 2 1 365.521 2.562 20 30 FFEDMP C=CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000745827838 999934264 /nfs/dbraw/zinc/93/42/64/999934264.db2.gz OCTMJDVGXGACDF-VQTJNVASSA-N 2 1 373.545 2.756 20 30 FFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)Nc3ccc(C#N)cc3)CC1)C2 ZINC001169152662 1000027799 /nfs/dbraw/zinc/02/77/99/1000027799.db2.gz CHELFPOLNYEERU-PMOLBWCYSA-N 2 1 367.497 2.769 20 30 FFEDMP CCCC[C@@H](ON=C(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000767865885 1000153413 /nfs/dbraw/zinc/15/34/13/1000153413.db2.gz JOJHQXAGEMCGGU-GOSISDBHSA-N 2 1 361.490 2.743 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109729187 1000916932 /nfs/dbraw/zinc/91/69/32/1000916932.db2.gz YCPMQUBPIOKXEK-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109729187 1000916939 /nfs/dbraw/zinc/91/69/39/1000916939.db2.gz YCPMQUBPIOKXEK-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729187 1000916943 /nfs/dbraw/zinc/91/69/43/1000916943.db2.gz YCPMQUBPIOKXEK-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729187 1000916953 /nfs/dbraw/zinc/91/69/53/1000916953.db2.gz YCPMQUBPIOKXEK-HKBOAZHASA-N 2 1 355.526 2.849 20 30 FFEDMP C[NH+](C)Cc1ccc(C(N)=NOCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000786747286 1001620915 /nfs/dbraw/zinc/62/09/15/1001620915.db2.gz SVRLZRQEEKEDLD-UHFFFAOYSA-N 2 1 358.461 2.656 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)s1 ZINC001095498949 1016511862 /nfs/dbraw/zinc/51/18/62/1016511862.db2.gz KLYMJICLEUGDIY-GRGSLBFTSA-N 2 1 372.538 2.716 20 30 FFEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001197700908 1004328378 /nfs/dbraw/zinc/32/83/78/1004328378.db2.gz AUTCPTRYTBOSCC-FXAWDEMLSA-N 2 1 373.928 2.938 20 30 FFEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001197700908 1004328389 /nfs/dbraw/zinc/32/83/89/1004328389.db2.gz AUTCPTRYTBOSCC-FXAWDEMLSA-N 2 1 373.928 2.938 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102447 1004374807 /nfs/dbraw/zinc/37/48/07/1004374807.db2.gz JOHDWQCKGLBCST-RCCFBDPRSA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102447 1004374816 /nfs/dbraw/zinc/37/48/16/1004374816.db2.gz JOHDWQCKGLBCST-RCCFBDPRSA-N 2 1 364.534 2.528 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000852887495 1006221170 /nfs/dbraw/zinc/22/11/70/1006221170.db2.gz BBXJBUOVYPGHBS-FCHUYYIVSA-N 2 1 365.521 2.503 20 30 FFEDMP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000883189776 1006693150 /nfs/dbraw/zinc/69/31/50/1006693150.db2.gz OFLSPLJDCOXWPE-FGZHOGPDSA-N 2 1 357.542 2.560 20 30 FFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001190229858 1007514941 /nfs/dbraw/zinc/51/49/41/1007514941.db2.gz PDLPRWZFYVOZHJ-GUDVDZBRSA-N 2 1 356.514 2.653 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134911867 1009500496 /nfs/dbraw/zinc/50/04/96/1009500496.db2.gz WVNVVMOKYPJTLV-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134911867 1009500513 /nfs/dbraw/zinc/50/05/13/1009500513.db2.gz WVNVVMOKYPJTLV-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134911867 1009500526 /nfs/dbraw/zinc/50/05/26/1009500526.db2.gz WVNVVMOKYPJTLV-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134911867 1009500536 /nfs/dbraw/zinc/50/05/36/1009500536.db2.gz WVNVVMOKYPJTLV-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001093223858 1010168506 /nfs/dbraw/zinc/16/85/06/1010168506.db2.gz IHXAILIPISGRET-WIYYLYMNSA-N 2 1 359.558 2.596 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225926 1010171261 /nfs/dbraw/zinc/17/12/61/1010171261.db2.gz UUPLWRPGLXLZRT-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225926 1010171269 /nfs/dbraw/zinc/17/12/69/1010171269.db2.gz UUPLWRPGLXLZRT-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225926 1010171280 /nfs/dbraw/zinc/17/12/80/1010171280.db2.gz UUPLWRPGLXLZRT-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001094436381 1011126986 /nfs/dbraw/zinc/12/69/86/1011126986.db2.gz OWODRUNZEDHMHT-TUNNFDKTSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001094436381 1011126990 /nfs/dbraw/zinc/12/69/90/1011126990.db2.gz OWODRUNZEDHMHT-TUNNFDKTSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001094436381 1011126995 /nfs/dbraw/zinc/12/69/95/1011126995.db2.gz OWODRUNZEDHMHT-TUNNFDKTSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001094436381 1011126999 /nfs/dbraw/zinc/12/69/99/1011126999.db2.gz OWODRUNZEDHMHT-TUNNFDKTSA-N 2 1 357.542 2.635 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094512354 1011180287 /nfs/dbraw/zinc/18/02/87/1011180287.db2.gz ODJBDMOMQYHUTE-FYYLOGMGSA-N 2 1 367.537 2.788 20 30 FFEDMP C#CCOCCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077410 1011614937 /nfs/dbraw/zinc/61/49/37/1011614937.db2.gz RIJFMIYKQHKVHY-DKUWSORSSA-N 2 1 356.510 2.828 20 30 FFEDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980272 1012149012 /nfs/dbraw/zinc/14/90/12/1012149012.db2.gz VTNMRPFIIPUEEQ-VSZNYVQBSA-N 2 1 364.534 2.986 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303780416 1012427500 /nfs/dbraw/zinc/42/75/00/1012427500.db2.gz LIMFDIDXADSJRM-KRWDZBQOSA-N 2 1 361.509 2.527 20 30 FFEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NCCc3cccs3)c2)CCO1 ZINC000303897367 1012507478 /nfs/dbraw/zinc/50/74/78/1012507478.db2.gz UZFGGFGWSLCQSN-INIZCTEOSA-N 2 1 372.538 2.616 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NCCc3cccs3)c2)CCO1 ZINC000303897367 1012507491 /nfs/dbraw/zinc/50/74/91/1012507491.db2.gz UZFGGFGWSLCQSN-INIZCTEOSA-N 2 1 372.538 2.616 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(OC2CCCCC2)cc1 ZINC000303977521 1012552409 /nfs/dbraw/zinc/55/24/09/1012552409.db2.gz LGQHETRYJBCYIP-UHFFFAOYSA-N 2 1 374.529 2.525 20 30 FFEDMP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c1 ZINC001097549751 1017595258 /nfs/dbraw/zinc/59/52/58/1017595258.db2.gz ANNSPVRMVSLKGZ-NRSPTQNISA-N 2 1 371.444 2.741 20 30 FFEDMP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c1 ZINC001097549751 1017595263 /nfs/dbraw/zinc/59/52/63/1017595263.db2.gz ANNSPVRMVSLKGZ-NRSPTQNISA-N 2 1 371.444 2.741 20 30 FFEDMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001111028055 1020743776 /nfs/dbraw/zinc/74/37/76/1020743776.db2.gz GJJDFFOCGCWREK-NJYVYQBISA-N 2 1 367.537 2.738 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001111028055 1020743782 /nfs/dbraw/zinc/74/37/82/1020743782.db2.gz GJJDFFOCGCWREK-NJYVYQBISA-N 2 1 367.537 2.738 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001111028055 1020743788 /nfs/dbraw/zinc/74/37/88/1020743788.db2.gz GJJDFFOCGCWREK-NJYVYQBISA-N 2 1 367.537 2.738 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001111028055 1020743798 /nfs/dbraw/zinc/74/37/98/1020743798.db2.gz GJJDFFOCGCWREK-NJYVYQBISA-N 2 1 367.537 2.738 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ccccc2)CC1 ZINC001098461059 1020927444 /nfs/dbraw/zinc/92/74/44/1020927444.db2.gz PCBJSZRFPYXYKB-CIQXWFTPSA-N 2 1 365.521 2.814 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029727 1021631176 /nfs/dbraw/zinc/63/11/76/1021631176.db2.gz KLQMSFANHUVSDQ-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029727 1021631187 /nfs/dbraw/zinc/63/11/87/1021631187.db2.gz KLQMSFANHUVSDQ-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298058 1023302944 /nfs/dbraw/zinc/30/29/44/1023302944.db2.gz FGTOGXHLQHFFBN-CTNGQTDRSA-N 2 1 367.537 2.749 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@@H]21 ZINC001222715286 1033127340 /nfs/dbraw/zinc/12/73/40/1033127340.db2.gz IJZXTAHTTUIZNE-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCCN4C)n[nH]3)C[C@@H]21 ZINC001222715286 1033127346 /nfs/dbraw/zinc/12/73/46/1033127346.db2.gz IJZXTAHTTUIZNE-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001222715286 1033127356 /nfs/dbraw/zinc/12/73/56/1033127356.db2.gz IJZXTAHTTUIZNE-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001222715286 1033127359 /nfs/dbraw/zinc/12/73/59/1033127359.db2.gz IJZXTAHTTUIZNE-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001222715286 1033127363 /nfs/dbraw/zinc/12/73/63/1033127363.db2.gz IJZXTAHTTUIZNE-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001222715286 1033127369 /nfs/dbraw/zinc/12/73/69/1033127369.db2.gz IJZXTAHTTUIZNE-UXPWSPDFSA-N 2 1 371.529 2.679 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121582941 1023863176 /nfs/dbraw/zinc/86/31/76/1023863176.db2.gz YVMHCLWXCHUUIX-MSOLQXFVSA-N 2 1 358.534 2.543 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121582941 1023863177 /nfs/dbraw/zinc/86/31/77/1023863177.db2.gz YVMHCLWXCHUUIX-MSOLQXFVSA-N 2 1 358.534 2.543 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240752 1024161776 /nfs/dbraw/zinc/16/17/76/1024161776.db2.gz GQFKUIXAOGYDKH-SJBKTWHCSA-N 2 1 359.558 2.855 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527839 1033203150 /nfs/dbraw/zinc/20/31/50/1033203150.db2.gz OWYGTKNMNOHMKC-LWYYNNOASA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527839 1033203159 /nfs/dbraw/zinc/20/31/59/1033203159.db2.gz OWYGTKNMNOHMKC-LWYYNNOASA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527839 1033203173 /nfs/dbraw/zinc/20/31/73/1033203173.db2.gz OWYGTKNMNOHMKC-LWYYNNOASA-N 2 1 365.562 2.599 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001101364088 1024550979 /nfs/dbraw/zinc/55/09/79/1024550979.db2.gz MZUCRRJUWZYYAY-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001101364088 1024550982 /nfs/dbraw/zinc/55/09/82/1024550982.db2.gz MZUCRRJUWZYYAY-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484759 1026092058 /nfs/dbraw/zinc/09/20/58/1026092058.db2.gz WJWGPCNXYREDQJ-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001102484759 1026092073 /nfs/dbraw/zinc/09/20/73/1026092073.db2.gz WJWGPCNXYREDQJ-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740306 1028109812 /nfs/dbraw/zinc/10/98/12/1028109812.db2.gz COLPBHPVCVBXGU-AQNXPRMDSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740306 1028109818 /nfs/dbraw/zinc/10/98/18/1028109818.db2.gz COLPBHPVCVBXGU-AQNXPRMDSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740306 1028109825 /nfs/dbraw/zinc/10/98/25/1028109825.db2.gz COLPBHPVCVBXGU-AQNXPRMDSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740306 1028109835 /nfs/dbraw/zinc/10/98/35/1028109835.db2.gz COLPBHPVCVBXGU-AQNXPRMDSA-N 2 1 367.578 2.752 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740742 1028110253 /nfs/dbraw/zinc/11/02/53/1028110253.db2.gz SWQROXWWFKXNDX-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740742 1028110261 /nfs/dbraw/zinc/11/02/61/1028110261.db2.gz SWQROXWWFKXNDX-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740742 1028110271 /nfs/dbraw/zinc/11/02/71/1028110271.db2.gz SWQROXWWFKXNDX-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740742 1028110275 /nfs/dbraw/zinc/11/02/75/1028110275.db2.gz SWQROXWWFKXNDX-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP N#Cc1ccc(-c2cccs2)nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155381323 1028708470 /nfs/dbraw/zinc/70/84/70/1028708470.db2.gz FIENNWNHGPPCKA-MRXNPFEDSA-N 2 1 353.495 2.541 20 30 FFEDMP N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155382926 1028710785 /nfs/dbraw/zinc/71/07/85/1028710785.db2.gz QHRDDVZKBWCOJQ-AWEZNQCLSA-N 2 1 373.863 2.758 20 30 FFEDMP C[Si](C)(C)C#C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934081 1028715881 /nfs/dbraw/zinc/71/58/81/1028715881.db2.gz KKLDJXONXLDENA-HXUWFJFHSA-N 3 1 355.602 2.916 20 30 FFEDMP C[Si](C)(C)C#CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934081 1028715894 /nfs/dbraw/zinc/71/58/94/1028715894.db2.gz KKLDJXONXLDENA-HXUWFJFHSA-N 2 1 355.602 2.916 20 30 FFEDMP C[Si](C)(C)C#CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934081 1028715908 /nfs/dbraw/zinc/71/59/08/1028715908.db2.gz KKLDJXONXLDENA-HXUWFJFHSA-N 2 1 355.602 2.916 20 30 FFEDMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C1CCCCC1 ZINC000841011276 1029973435 /nfs/dbraw/zinc/97/34/35/1029973435.db2.gz GUNZBQDWJYMMMG-APWZRJJASA-N 2 1 355.486 2.684 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100867 1030005682 /nfs/dbraw/zinc/00/56/82/1030005682.db2.gz NXSUHMFYMZCUBL-BZUAXINKSA-N 2 1 361.452 2.804 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001112113099 1030035403 /nfs/dbraw/zinc/03/54/03/1030035403.db2.gz CZKZUYUOQRGQGB-ARFHVFGLSA-N 2 1 361.452 2.519 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205417213 1031728930 /nfs/dbraw/zinc/72/89/30/1031728930.db2.gz USYIOUFIQROIAH-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000829768272 1033326150 /nfs/dbraw/zinc/32/61/50/1033326150.db2.gz AZXWBIQVYRXDCW-IBGZPJMESA-N 2 1 368.525 2.502 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796661 1033825054 /nfs/dbraw/zinc/82/50/54/1033825054.db2.gz LJIDXKUGNXHRPA-AQNXPRMDSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796661 1033825064 /nfs/dbraw/zinc/82/50/64/1033825064.db2.gz LJIDXKUGNXHRPA-AQNXPRMDSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796661 1033825088 /nfs/dbraw/zinc/82/50/88/1033825088.db2.gz LJIDXKUGNXHRPA-AQNXPRMDSA-N 2 1 365.562 2.525 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(CCC[NH+](CC)CC)CC2)cc1OC ZINC001138349119 1034183936 /nfs/dbraw/zinc/18/39/36/1034183936.db2.gz SAKWENBBZOQNNP-UHFFFAOYSA-N 2 1 373.541 2.557 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccc2ccccc2c1 ZINC001220868912 1034438960 /nfs/dbraw/zinc/43/89/60/1034438960.db2.gz ZDWTYTLRWIAUOT-SFTDATJTSA-N 2 1 351.494 2.866 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1O ZINC001138629515 1034480207 /nfs/dbraw/zinc/48/02/07/1034480207.db2.gz BNXBNZZRYVJBKK-IBGZPJMESA-N 2 1 372.509 2.970 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1O ZINC001138629515 1034480214 /nfs/dbraw/zinc/48/02/14/1034480214.db2.gz BNXBNZZRYVJBKK-IBGZPJMESA-N 2 1 372.509 2.970 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001226843967 1034859528 /nfs/dbraw/zinc/85/95/28/1034859528.db2.gz XLLATNVYFMABMY-QUCCMNQESA-N 2 1 370.541 2.704 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001221823183 1035094642 /nfs/dbraw/zinc/09/46/42/1035094642.db2.gz JWKHDZINDYQODO-YUMYIRISSA-N 2 1 367.537 2.831 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001221823183 1035094645 /nfs/dbraw/zinc/09/46/45/1035094645.db2.gz JWKHDZINDYQODO-YUMYIRISSA-N 2 1 367.537 2.831 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001221823183 1035094648 /nfs/dbraw/zinc/09/46/48/1035094648.db2.gz JWKHDZINDYQODO-YUMYIRISSA-N 2 1 367.537 2.831 20 30 FFEDMP C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)C1CC[NH+](C)CC1 ZINC001227455195 1035561898 /nfs/dbraw/zinc/56/18/98/1035561898.db2.gz AMMCEZZEQQHZGF-SFHVURJKSA-N 2 1 362.562 2.626 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141970 1036519705 /nfs/dbraw/zinc/51/97/05/1036519705.db2.gz NXQLXKKWYHJRJY-RTBURBONSA-N 2 1 353.551 2.696 20 30 FFEDMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233388448 1036590012 /nfs/dbraw/zinc/59/00/12/1036590012.db2.gz ZJGADFDKMMLVCI-UHFFFAOYSA-N 2 1 358.530 2.894 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001230279476 1037191089 /nfs/dbraw/zinc/19/10/89/1037191089.db2.gz BRPJOVSMIVEITP-WOJBJXKFSA-N 2 1 359.489 2.534 20 30 FFEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766589 1037350363 /nfs/dbraw/zinc/35/03/63/1037350363.db2.gz FFRWYTOYQPDSRX-UYAOXDASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766589 1037350383 /nfs/dbraw/zinc/35/03/83/1037350383.db2.gz FFRWYTOYQPDSRX-UYAOXDASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766589 1037350400 /nfs/dbraw/zinc/35/04/00/1037350400.db2.gz FFRWYTOYQPDSRX-UYAOXDASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)CCO2 ZINC001235632214 1037654815 /nfs/dbraw/zinc/65/48/15/1037654815.db2.gz PQXKFNQVJOCCSI-FGZHOGPDSA-N 2 1 356.510 2.906 20 30 FFEDMP C=CCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231623260 1037747586 /nfs/dbraw/zinc/74/75/86/1037747586.db2.gz ZIHMZLNZFNOLMY-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231623260 1037747600 /nfs/dbraw/zinc/74/76/00/1037747600.db2.gz ZIHMZLNZFNOLMY-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231623260 1037747618 /nfs/dbraw/zinc/74/76/18/1037747618.db2.gz ZIHMZLNZFNOLMY-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001231623260 1037747632 /nfs/dbraw/zinc/74/76/32/1037747632.db2.gz ZIHMZLNZFNOLMY-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001236067283 1037912370 /nfs/dbraw/zinc/91/23/70/1037912370.db2.gz RZNRQEIJMUXKFI-JOCHJYFZSA-N 2 1 362.473 2.799 20 30 FFEDMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236081164 1037924657 /nfs/dbraw/zinc/92/46/57/1037924657.db2.gz ZCTLNYJBMCCOOH-XMMPIXPASA-N 2 1 359.517 2.941 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001232147410 1038197540 /nfs/dbraw/zinc/19/75/40/1038197540.db2.gz IEDONITWEOOEGH-OAQYLSRUSA-N 2 1 359.489 2.888 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001208570929 1038418728 /nfs/dbraw/zinc/41/87/28/1038418728.db2.gz CTPGGEUUBMNGDY-NRSPTQNISA-N 2 1 355.526 2.595 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001208570929 1038418730 /nfs/dbraw/zinc/41/87/30/1038418730.db2.gz CTPGGEUUBMNGDY-NRSPTQNISA-N 2 1 355.526 2.595 20 30 FFEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC001246302805 1039305012 /nfs/dbraw/zinc/30/50/12/1039305012.db2.gz CQGFBSTUSCYZTJ-HNAYVOBHSA-N 2 1 351.450 2.842 20 30 FFEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246302805 1039305030 /nfs/dbraw/zinc/30/50/30/1039305030.db2.gz CQGFBSTUSCYZTJ-HNAYVOBHSA-N 2 1 351.450 2.842 20 30 FFEDMP NC(=O)c1ccc(C(=[NH2+])N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255131296 1041165772 /nfs/dbraw/zinc/16/57/72/1041165772.db2.gz ZPUYRCCJOPYTAG-ACDBMABISA-N 2 1 362.477 2.686 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544271 1041821742 /nfs/dbraw/zinc/82/17/42/1041821742.db2.gz MXXQOUIVDJBFPL-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001215563627 1041829583 /nfs/dbraw/zinc/82/95/83/1041829583.db2.gz KAOHCRVABQZIMB-RHSMWYFYSA-N 2 1 362.543 2.534 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCC1 ZINC001264175715 1042654478 /nfs/dbraw/zinc/65/44/78/1042654478.db2.gz VMANXIILKOAJSZ-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCC1 ZINC001264175715 1042654480 /nfs/dbraw/zinc/65/44/80/1042654480.db2.gz VMANXIILKOAJSZ-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278211472 1043634066 /nfs/dbraw/zinc/63/40/66/1043634066.db2.gz NUWWAIYEQHYWPE-KDURUIRLSA-N 2 1 358.530 2.856 20 30 FFEDMP CCOC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278211472 1043634068 /nfs/dbraw/zinc/63/40/68/1043634068.db2.gz NUWWAIYEQHYWPE-KDURUIRLSA-N 2 1 358.530 2.856 20 30 FFEDMP CCOC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278211472 1043634072 /nfs/dbraw/zinc/63/40/72/1043634072.db2.gz NUWWAIYEQHYWPE-KDURUIRLSA-N 2 1 358.530 2.856 20 30 FFEDMP CCc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1C#N ZINC001238761386 1043872520 /nfs/dbraw/zinc/87/25/20/1043872520.db2.gz BQDZMFHREGJSBU-UHFFFAOYSA-N 2 1 363.509 2.971 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001316726902 1044663514 /nfs/dbraw/zinc/66/35/14/1044663514.db2.gz IOJZLPMKKCJWKR-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001316726902 1044663516 /nfs/dbraw/zinc/66/35/16/1044663516.db2.gz IOJZLPMKKCJWKR-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001316726902 1044663521 /nfs/dbraw/zinc/66/35/21/1044663521.db2.gz IOJZLPMKKCJWKR-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001316726902 1044663524 /nfs/dbraw/zinc/66/35/24/1044663524.db2.gz IOJZLPMKKCJWKR-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316644740 1047399141 /nfs/dbraw/zinc/39/91/41/1047399141.db2.gz VQYSKNGRLCRRDR-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316644740 1047399150 /nfs/dbraw/zinc/39/91/50/1047399150.db2.gz VQYSKNGRLCRRDR-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338749311 1055781343 /nfs/dbraw/zinc/78/13/43/1055781343.db2.gz MFCXXMCURLLUEX-MJGOQNOKSA-N 2 1 372.561 2.932 20 30 FFEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338994554 1055997626 /nfs/dbraw/zinc/99/76/26/1055997626.db2.gz FUIIFPIQELOZLG-AEFFLSMTSA-N 2 1 358.534 2.541 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC001359264302 1056959273 /nfs/dbraw/zinc/95/92/73/1056959273.db2.gz AUGMVQOCDIIVCV-QUCCMNQESA-N 2 1 374.577 2.816 20 30 FFEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001500037763 1058430452 /nfs/dbraw/zinc/43/04/52/1058430452.db2.gz LWTOKQHYULVSLS-RRIIRSAJSA-N 2 1 359.558 2.689 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC001476983111 1061533817 /nfs/dbraw/zinc/53/38/17/1061533817.db2.gz ZRCMISISHQGTKV-GOSISDBHSA-N 2 1 361.465 2.577 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001479729988 1062971821 /nfs/dbraw/zinc/97/18/21/1062971821.db2.gz QCQQOHXRFZANKZ-HJNYFJLDSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001479729988 1062971837 /nfs/dbraw/zinc/97/18/37/1062971837.db2.gz QCQQOHXRFZANKZ-HJNYFJLDSA-N 2 1 367.537 2.738 20 30 FFEDMP C=C(C)CN(CC)c1nnc(C2CC[NH2+]CC2)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001574835014 1078086693 /nfs/dbraw/zinc/08/66/93/1078086693.db2.gz JSDUTEAVUIOVHG-SFHVURJKSA-N 2 1 374.577 2.879 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)C(C)C ZINC001563454052 1076555458 /nfs/dbraw/zinc/55/54/58/1076555458.db2.gz XRCWRCBYRJXWBR-RBUKOAKNSA-N 2 1 350.551 2.667 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001566026558 1076862699 /nfs/dbraw/zinc/86/26/99/1076862699.db2.gz CPJGGUTUWZOZKT-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001566026558 1076862701 /nfs/dbraw/zinc/86/27/01/1076862701.db2.gz CPJGGUTUWZOZKT-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CC ZINC001566026558 1076862705 /nfs/dbraw/zinc/86/27/05/1076862705.db2.gz CPJGGUTUWZOZKT-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](CC)CC ZINC001566103703 1076907597 /nfs/dbraw/zinc/90/75/97/1076907597.db2.gz VTDXYLSCQUKHKE-GIVPXCGWSA-N 2 1 355.526 2.738 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](CC)CC ZINC001566103703 1076907599 /nfs/dbraw/zinc/90/75/99/1076907599.db2.gz VTDXYLSCQUKHKE-GIVPXCGWSA-N 2 1 355.526 2.738 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001567922672 1077060735 /nfs/dbraw/zinc/06/07/35/1077060735.db2.gz XJPPZYJSEDHVHX-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567922672 1077060740 /nfs/dbraw/zinc/06/07/40/1077060740.db2.gz XJPPZYJSEDHVHX-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567922672 1077060746 /nfs/dbraw/zinc/06/07/46/1077060746.db2.gz XJPPZYJSEDHVHX-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCO1 ZINC000287719860 257105447 /nfs/dbraw/zinc/10/54/47/257105447.db2.gz XYOTXACYTHJSAE-GOSISDBHSA-N 2 1 356.514 2.618 20 30 FFEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCO1 ZINC000287719860 257105449 /nfs/dbraw/zinc/10/54/49/257105449.db2.gz XYOTXACYTHJSAE-GOSISDBHSA-N 2 1 356.514 2.618 20 30 FFEDMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122038053 508471571 /nfs/dbraw/zinc/47/15/71/508471571.db2.gz UFLYEGRECIWDJY-QRVBRYPASA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122038053 508471575 /nfs/dbraw/zinc/47/15/75/508471575.db2.gz UFLYEGRECIWDJY-QRVBRYPASA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377721731 512418221 /nfs/dbraw/zinc/41/82/21/512418221.db2.gz UJWQCRDSIHFVGE-YBVXAUJNSA-N 2 1 368.525 2.720 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377721731 512418225 /nfs/dbraw/zinc/41/82/25/512418225.db2.gz UJWQCRDSIHFVGE-YBVXAUJNSA-N 2 1 368.525 2.720 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(OC)c1O ZINC000371468226 512420298 /nfs/dbraw/zinc/42/02/98/512420298.db2.gz AERSCHPIWHMQIS-CEXWTWQISA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(OC)c1O ZINC000371468226 512420303 /nfs/dbraw/zinc/42/03/03/512420303.db2.gz AERSCHPIWHMQIS-CEXWTWQISA-N 2 1 360.498 2.813 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000130853560 508856593 /nfs/dbraw/zinc/85/65/93/508856593.db2.gz SJPDWIKTCLVPRY-QGZVFWFLSA-N 2 1 353.470 2.849 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000130853560 508856598 /nfs/dbraw/zinc/85/65/98/508856598.db2.gz SJPDWIKTCLVPRY-QGZVFWFLSA-N 2 1 353.470 2.849 20 30 FFEDMP COc1cc(C#N)ccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000120800833 509067701 /nfs/dbraw/zinc/06/77/01/509067701.db2.gz ZBIPNWUNBHVGSD-CALCHBBNSA-N 2 1 357.498 2.888 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179153258 509290788 /nfs/dbraw/zinc/29/07/88/509290788.db2.gz LAMFPMRMVMUBDM-WOJBJXKFSA-N 2 1 356.514 2.772 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248396161 509291795 /nfs/dbraw/zinc/29/17/95/509291795.db2.gz JYWDNKGKURQAMI-DRSNIGMVSA-N 2 1 368.525 2.541 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000264114799 509336195 /nfs/dbraw/zinc/33/61/95/509336195.db2.gz SBMHRDXCAQZBBA-INIZCTEOSA-N 2 1 362.518 2.620 20 30 FFEDMP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000185824890 509373948 /nfs/dbraw/zinc/37/39/48/509373948.db2.gz QDHPXDNABPLHJX-PWIZWCRZSA-N 2 1 354.498 2.556 20 30 FFEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C#N ZINC000180988142 510225166 /nfs/dbraw/zinc/22/51/66/510225166.db2.gz QTICLXNOTCUMNB-NRFANRHFSA-N 2 1 365.477 2.813 20 30 FFEDMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310142 510420662 /nfs/dbraw/zinc/42/06/62/510420662.db2.gz ZFQIYDRYBBKIME-XTBIFASLSA-N 2 1 362.562 2.969 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000330008249 510900494 /nfs/dbraw/zinc/90/04/94/510900494.db2.gz FGBVBYKBDKFDQH-UONOGXRCSA-N 2 1 358.490 2.648 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000330008249 510900498 /nfs/dbraw/zinc/90/04/98/510900498.db2.gz FGBVBYKBDKFDQH-UONOGXRCSA-N 2 1 358.490 2.648 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277124590 510954868 /nfs/dbraw/zinc/95/48/68/510954868.db2.gz IACCLWWJSXWMIC-RTBURBONSA-N 2 1 362.514 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277124590 510954873 /nfs/dbraw/zinc/95/48/73/510954873.db2.gz IACCLWWJSXWMIC-RTBURBONSA-N 2 1 362.514 2.580 20 30 FFEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292879501 511756299 /nfs/dbraw/zinc/75/62/99/511756299.db2.gz DWKYJUMBIVYGCB-GHTZIAJQSA-N 2 1 354.498 2.739 20 30 FFEDMP C#CC[C@@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824507 511789945 /nfs/dbraw/zinc/78/99/45/511789945.db2.gz QQEGOJXZNGACGH-LEWJYISDSA-N 2 1 368.525 2.561 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000274537266 511866701 /nfs/dbraw/zinc/86/67/01/511866701.db2.gz BGMVKASLJUAUES-INIZCTEOSA-N 2 1 355.482 2.691 20 30 FFEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000329140479 511990923 /nfs/dbraw/zinc/99/09/23/511990923.db2.gz FVUFSIJNFPVSHI-KRWDZBQOSA-N 2 1 359.518 2.606 20 30 FFEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000329140479 511990928 /nfs/dbraw/zinc/99/09/28/511990928.db2.gz FVUFSIJNFPVSHI-KRWDZBQOSA-N 2 1 359.518 2.606 20 30 FFEDMP CCOC1CC2(C1)CC[NH+](CC#CC[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000367589488 512572812 /nfs/dbraw/zinc/57/28/12/512572812.db2.gz ZYBVLNLALWXIRA-UHFFFAOYSA-N 2 1 360.542 2.772 20 30 FFEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370653549 513035295 /nfs/dbraw/zinc/03/52/95/513035295.db2.gz YYTXDQCNUBJQFT-LJQANCHMSA-N 2 1 368.525 2.735 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705502 513062020 /nfs/dbraw/zinc/06/20/20/513062020.db2.gz HEYHHYMFCZZPOK-KNQAVFIVSA-N 2 1 370.541 2.827 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705502 513062021 /nfs/dbraw/zinc/06/20/21/513062021.db2.gz HEYHHYMFCZZPOK-KNQAVFIVSA-N 2 1 370.541 2.827 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000370708014 513064500 /nfs/dbraw/zinc/06/45/00/513064500.db2.gz GJNDRBLVMWTJLX-UYAOXDASSA-N 2 1 373.541 2.718 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000370708014 513064504 /nfs/dbraw/zinc/06/45/04/513064504.db2.gz GJNDRBLVMWTJLX-UYAOXDASSA-N 2 1 373.541 2.718 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540452 513818951 /nfs/dbraw/zinc/81/89/51/513818951.db2.gz WWEACOMQLHZQEJ-NQIIRXRSSA-N 2 1 368.525 2.885 20 30 FFEDMP CC1(C#N)CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000449143609 514090612 /nfs/dbraw/zinc/09/06/12/514090612.db2.gz IGBHYDPTPYDFDN-YMISUZCDSA-N 2 1 368.525 2.946 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139818 514397107 /nfs/dbraw/zinc/39/71/07/514397107.db2.gz FMWPTAGPYWFCKQ-PZJWPPBQSA-N 2 1 354.498 2.522 20 30 FFEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000424166012 514405034 /nfs/dbraw/zinc/40/50/34/514405034.db2.gz FTVFSZAMRLYCKV-FGTMMUONSA-N 2 1 364.440 2.626 20 30 FFEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000424166012 514405038 /nfs/dbraw/zinc/40/50/38/514405038.db2.gz FTVFSZAMRLYCKV-FGTMMUONSA-N 2 1 364.440 2.626 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000462032724 514841846 /nfs/dbraw/zinc/84/18/46/514841846.db2.gz PWDSADXXFMFEKA-UHFFFAOYSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000462032724 514841860 /nfs/dbraw/zinc/84/18/60/514841860.db2.gz PWDSADXXFMFEKA-UHFFFAOYSA-N 2 1 368.525 2.713 20 30 FFEDMP C=CCC[N@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000467292178 514967370 /nfs/dbraw/zinc/96/73/70/514967370.db2.gz ZWLPJUMFXPNVAC-HXUWFJFHSA-N 2 1 359.514 2.846 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454529459 515555352 /nfs/dbraw/zinc/55/53/52/515555352.db2.gz AESYXFKEBDSHAC-LJQANCHMSA-N 2 1 370.541 2.800 20 30 FFEDMP CC[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700101 516826311 /nfs/dbraw/zinc/82/63/11/516826311.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000551700101 516826325 /nfs/dbraw/zinc/82/63/25/516826325.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 2 1 362.606 2.599 20 30 FFEDMP CC[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000551700101 516826337 /nfs/dbraw/zinc/82/63/37/516826337.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 2 1 362.606 2.599 20 30 FFEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515060542 517195422 /nfs/dbraw/zinc/19/54/22/517195422.db2.gz QKXPPKNLGFHKTQ-HXUWFJFHSA-N 2 1 374.492 2.991 20 30 FFEDMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515060542 517195428 /nfs/dbraw/zinc/19/54/28/517195428.db2.gz QKXPPKNLGFHKTQ-HXUWFJFHSA-N 2 1 374.492 2.991 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCC(C#N)CC3)CC2)CC1 ZINC000563400021 517881468 /nfs/dbraw/zinc/88/14/68/517881468.db2.gz FNEYZBVCZNSHFV-UHFFFAOYSA-N 2 1 360.546 2.629 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000564987090 518730325 /nfs/dbraw/zinc/73/03/25/518730325.db2.gz YOMZLJSEKJQLTH-LJQANCHMSA-N 2 1 374.492 2.993 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000564987090 518730334 /nfs/dbraw/zinc/73/03/34/518730334.db2.gz YOMZLJSEKJQLTH-LJQANCHMSA-N 2 1 374.492 2.993 20 30 FFEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878856 519944761 /nfs/dbraw/zinc/94/47/61/519944761.db2.gz ZLXYNGVFIHCCFP-SFHVURJKSA-N 2 1 354.498 2.739 20 30 FFEDMP C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725005 520426699 /nfs/dbraw/zinc/42/66/99/520426699.db2.gz AKEFRTCHARMUPH-AZUAARDMSA-N 2 1 359.514 2.558 20 30 FFEDMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593341162 520922643 /nfs/dbraw/zinc/92/26/43/520922643.db2.gz PJSMTWYQCDIFGP-UHFFFAOYSA-N 2 1 371.529 2.554 20 30 FFEDMP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602536001 521401058 /nfs/dbraw/zinc/40/10/58/521401058.db2.gz VDNBFYRFEKMGEN-WOJBJXKFSA-N 2 1 356.514 2.767 20 30 FFEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccc(Cl)s1 ZINC000262772209 729670630 /nfs/dbraw/zinc/67/06/30/729670630.db2.gz JCWWGDNNJFGLJQ-OAHLLOKOSA-N 2 1 360.980 2.846 20 30 FFEDMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262806473 729671306 /nfs/dbraw/zinc/67/13/06/729671306.db2.gz SVDVEHUGNOIPJQ-INIZCTEOSA-N 2 1 354.420 2.997 20 30 FFEDMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262806473 729671307 /nfs/dbraw/zinc/67/13/07/729671307.db2.gz SVDVEHUGNOIPJQ-INIZCTEOSA-N 2 1 354.420 2.997 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304759765 729737080 /nfs/dbraw/zinc/73/70/80/729737080.db2.gz RNQGSFXNXUPXSF-CQSZACIVSA-N 2 1 358.408 2.864 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974856 732305833 /nfs/dbraw/zinc/30/58/33/732305833.db2.gz VQFAYIVUNWLLGS-ZWKOTPCHSA-N 2 1 361.917 2.875 20 30 FFEDMP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000731930891 734706464 /nfs/dbraw/zinc/70/64/64/734706464.db2.gz RANPJQILYDXMHM-UHFFFAOYSA-N 2 1 361.559 2.817 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000815652660 741950306 /nfs/dbraw/zinc/95/03/06/741950306.db2.gz MAAIFBHLDCXKFX-CQSZACIVSA-N 2 1 366.303 2.711 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000815652660 741950311 /nfs/dbraw/zinc/95/03/11/741950311.db2.gz MAAIFBHLDCXKFX-CQSZACIVSA-N 2 1 366.303 2.711 20 30 FFEDMP C[NH+](C)CC1(C[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)CCCC1 ZINC001275862061 1013108287 /nfs/dbraw/zinc/10/82/87/1013108287.db2.gz AOZKDMCVGRDEIJ-OAQYLSRUSA-N 2 1 360.546 2.869 20 30 FFEDMP C[NH+](C)CC1(C[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)CCCC1 ZINC001275862058 1013108371 /nfs/dbraw/zinc/10/83/71/1013108371.db2.gz AOZKDMCVGRDEIJ-NRFANRHFSA-N 2 1 360.546 2.869 20 30 FFEDMP C[NH+]1CCC(CNC(=[NH2+])Nc2cc(F)ccc2F)(N2CCCCC2)CC1 ZINC000262311599 971787677 /nfs/dbraw/zinc/78/76/77/971787677.db2.gz STIAFWFKQVWYDH-UHFFFAOYSA-N 2 1 365.472 2.642 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653005 972443045 /nfs/dbraw/zinc/44/30/45/972443045.db2.gz NWKSCRZVZKYRCG-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653005 972443047 /nfs/dbraw/zinc/44/30/47/972443047.db2.gz NWKSCRZVZKYRCG-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC000660653005 972443048 /nfs/dbraw/zinc/44/30/48/972443048.db2.gz NWKSCRZVZKYRCG-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000660653005 972443051 /nfs/dbraw/zinc/44/30/51/972443051.db2.gz NWKSCRZVZKYRCG-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290981 962332000 /nfs/dbraw/zinc/33/20/00/962332000.db2.gz HIBHABMAEVKXSG-BMFZPTHFSA-N 2 1 350.894 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001104306229 962893957 /nfs/dbraw/zinc/89/39/57/962893957.db2.gz RZMJEDWINCNHNQ-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001104306229 962893964 /nfs/dbraw/zinc/89/39/64/962893964.db2.gz RZMJEDWINCNHNQ-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC000960643713 1013436360 /nfs/dbraw/zinc/43/63/60/1013436360.db2.gz MAASQGDGVJJYIK-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC000960643713 1013436369 /nfs/dbraw/zinc/43/63/69/1013436369.db2.gz MAASQGDGVJJYIK-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000960643713 1013436378 /nfs/dbraw/zinc/43/63/78/1013436378.db2.gz MAASQGDGVJJYIK-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000960643713 1013436384 /nfs/dbraw/zinc/43/63/84/1013436384.db2.gz MAASQGDGVJJYIK-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371827 964450367 /nfs/dbraw/zinc/45/03/67/964450367.db2.gz ILDFSJIUBVIMEN-IXDOHACOSA-N 2 1 362.518 2.779 20 30 FFEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181709 965988199 /nfs/dbraw/zinc/98/81/99/965988199.db2.gz VJDHZKFITLCGPM-NRFANRHFSA-N 2 1 350.510 2.698 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087212927 966582970 /nfs/dbraw/zinc/58/29/70/966582970.db2.gz WXQSYIDABCONER-OPYAIIAOSA-N 2 1 368.525 2.759 20 30 FFEDMP C[NH+]=C(NCC1CCCCC1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262336871 967558434 /nfs/dbraw/zinc/55/84/34/967558434.db2.gz BYQQTEUCNUGKLC-UHFFFAOYSA-N 2 1 363.594 2.682 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001023372549 967748687 /nfs/dbraw/zinc/74/86/87/967748687.db2.gz UXXDLKOJRPWAGN-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001023372549 967748700 /nfs/dbraw/zinc/74/87/00/967748700.db2.gz UXXDLKOJRPWAGN-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(=C)C)C1 ZINC001211618285 968062132 /nfs/dbraw/zinc/06/21/32/968062132.db2.gz NBCIIKBWEZKIAJ-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(=C)C)C1 ZINC001211618285 968062137 /nfs/dbraw/zinc/06/21/37/968062137.db2.gz NBCIIKBWEZKIAJ-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP c1coc(CCNC(=[NH+]C2CC2)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000262608735 968184288 /nfs/dbraw/zinc/18/42/88/968184288.db2.gz ALCVCDGLRMRJDI-OXJNMPFZSA-N 2 1 356.514 2.879 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518297 968510514 /nfs/dbraw/zinc/51/05/14/968510514.db2.gz BOFDJSAHOHMQNJ-LQWHRVPQSA-N 2 1 356.514 2.548 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653434 968517974 /nfs/dbraw/zinc/51/79/74/968517974.db2.gz XEVLPUPUBPEVIR-PKOBYXMFSA-N 2 1 353.470 2.816 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777384 969006049 /nfs/dbraw/zinc/00/60/49/969006049.db2.gz YKLCHWHERAUDDI-RBUKOAKNSA-N 2 1 353.470 2.816 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777384 969006057 /nfs/dbraw/zinc/00/60/57/969006057.db2.gz YKLCHWHERAUDDI-RBUKOAKNSA-N 2 1 353.470 2.816 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680434 970083082 /nfs/dbraw/zinc/08/30/82/970083082.db2.gz QFZRFMPHDTWXHL-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087840202 970522864 /nfs/dbraw/zinc/52/28/64/970522864.db2.gz LXLDMHORVWZTMP-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087840202 970522870 /nfs/dbraw/zinc/52/28/70/970522870.db2.gz LXLDMHORVWZTMP-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087840202 970522877 /nfs/dbraw/zinc/52/28/77/970522877.db2.gz LXLDMHORVWZTMP-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CCC[NH2+]1 ZINC000662739484 973869997 /nfs/dbraw/zinc/86/99/97/973869997.db2.gz PAMPSJGDDBLZDE-CBGDNZLLSA-N 2 1 357.498 2.933 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CCC[NH2+]1 ZINC000662739490 973870627 /nfs/dbraw/zinc/87/06/27/973870627.db2.gz PAMPSJGDDBLZDE-XGHQBKJUSA-N 2 1 357.498 2.933 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675518 974964883 /nfs/dbraw/zinc/96/48/83/974964883.db2.gz SNSQUWNMEWJISU-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001087438735 977375983 /nfs/dbraw/zinc/37/59/83/977375983.db2.gz NBISIEZAWHZXKL-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443229 977576743 /nfs/dbraw/zinc/57/67/43/977576743.db2.gz BAWIYNWENFHMFZ-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443229 977576749 /nfs/dbraw/zinc/57/67/49/977576749.db2.gz BAWIYNWENFHMFZ-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000968867366 1014603492 /nfs/dbraw/zinc/60/34/92/1014603492.db2.gz VPSLAVHTMBQUPO-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000968867366 1014603498 /nfs/dbraw/zinc/60/34/98/1014603498.db2.gz VPSLAVHTMBQUPO-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000968867366 1014603499 /nfs/dbraw/zinc/60/34/99/1014603499.db2.gz VPSLAVHTMBQUPO-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620502 981867545 /nfs/dbraw/zinc/86/75/45/981867545.db2.gz NSRMZTHMDRAVSY-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620502 981867552 /nfs/dbraw/zinc/86/75/52/981867552.db2.gz NSRMZTHMDRAVSY-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620502 981867561 /nfs/dbraw/zinc/86/75/61/981867561.db2.gz NSRMZTHMDRAVSY-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088620502 981867566 /nfs/dbraw/zinc/86/75/66/981867566.db2.gz NSRMZTHMDRAVSY-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)CC[N@H+]1C ZINC000995841077 984145903 /nfs/dbraw/zinc/14/59/03/984145903.db2.gz PCGAAAYBNDCZLV-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567663 984713746 /nfs/dbraw/zinc/71/37/46/984713746.db2.gz DQSIKDZJPDUOTN-IEBWSBKVSA-N 2 1 353.938 2.832 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000170910335 985172372 /nfs/dbraw/zinc/17/23/72/985172372.db2.gz FSCVYEJTRGPSKJ-UHFFFAOYSA-N 2 1 367.428 2.933 20 30 FFEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C2 ZINC000922389273 988538240 /nfs/dbraw/zinc/53/82/40/988538240.db2.gz SMIQZSBMABRPMY-GXRSIYKFSA-N 2 1 371.525 2.938 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672419 988620959 /nfs/dbraw/zinc/62/09/59/988620959.db2.gz UVBNMPZZIWVDEH-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804493 989175166 /nfs/dbraw/zinc/17/51/66/989175166.db2.gz WQUKBSUKDJSILP-FGTMMUONSA-N 2 1 367.497 2.920 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001081125951 993721877 /nfs/dbraw/zinc/72/18/77/993721877.db2.gz YLMQEBOQZIKAPX-XUVXKRRUSA-N 2 1 364.493 2.921 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081231760 993771065 /nfs/dbraw/zinc/77/10/65/993771065.db2.gz OLCJMIHPELBEPY-BDTNDASRSA-N 2 1 361.489 2.507 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090885399 997625407 /nfs/dbraw/zinc/62/54/07/997625407.db2.gz NCPNSARYSKROQP-PWRODBHTSA-N 2 1 371.525 2.640 20 30 FFEDMP N#Cc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001144075310 997990542 /nfs/dbraw/zinc/99/05/42/997990542.db2.gz MYJHTVKTJLQQLZ-UHFFFAOYSA-N 2 1 368.506 2.882 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001144074724 997991293 /nfs/dbraw/zinc/99/12/93/997991293.db2.gz BMXUPUMCTLFVKB-IBGZPJMESA-N 2 1 366.465 2.802 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085217821 999185371 /nfs/dbraw/zinc/18/53/71/999185371.db2.gz SEQPECYYQIRKIG-NJYVYQBISA-N 2 1 368.525 2.950 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832557 999645895 /nfs/dbraw/zinc/64/58/95/999645895.db2.gz JZLOKULHRTUURN-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832557 999645896 /nfs/dbraw/zinc/64/58/96/999645896.db2.gz JZLOKULHRTUURN-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832557 999645898 /nfs/dbraw/zinc/64/58/98/999645898.db2.gz JZLOKULHRTUURN-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C#CCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000743147672 1000206382 /nfs/dbraw/zinc/20/63/82/1000206382.db2.gz REMQALZGQINVEP-LJQANCHMSA-N 2 1 372.513 2.578 20 30 FFEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109417758 1000407624 /nfs/dbraw/zinc/40/76/24/1000407624.db2.gz MEWQSUPRMAAXLG-LTDCPUDJSA-N 2 1 372.538 2.716 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109417758 1000407629 /nfs/dbraw/zinc/40/76/29/1000407629.db2.gz MEWQSUPRMAAXLG-LTDCPUDJSA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109417758 1000407631 /nfs/dbraw/zinc/40/76/31/1000407631.db2.gz MEWQSUPRMAAXLG-LTDCPUDJSA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109417758 1000407636 /nfs/dbraw/zinc/40/76/36/1000407636.db2.gz MEWQSUPRMAAXLG-LTDCPUDJSA-N 2 1 372.538 2.716 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001109714687 1000882385 /nfs/dbraw/zinc/88/23/85/1000882385.db2.gz SLNKLOFUPYBCLA-FCLVOEFKSA-N 2 1 374.554 2.962 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001109714687 1000882396 /nfs/dbraw/zinc/88/23/96/1000882396.db2.gz SLNKLOFUPYBCLA-FCLVOEFKSA-N 2 1 374.554 2.962 20 30 FFEDMP CC(C)[N@H+]1CC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001182871245 1002081444 /nfs/dbraw/zinc/08/14/44/1002081444.db2.gz NFEQRWVTFPCULL-UFYCRDLUSA-N 2 1 354.498 2.639 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1c1ccccc1 ZINC001086593153 1002548979 /nfs/dbraw/zinc/54/89/79/1002548979.db2.gz FIBRQHYJNQBKEZ-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001092658364 1003362513 /nfs/dbraw/zinc/36/25/13/1003362513.db2.gz RFOMQCDPARGTGL-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092658364 1003362520 /nfs/dbraw/zinc/36/25/20/1003362520.db2.gz RFOMQCDPARGTGL-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092658364 1003362529 /nfs/dbraw/zinc/36/25/29/1003362529.db2.gz RFOMQCDPARGTGL-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197659203 1004304745 /nfs/dbraw/zinc/30/47/45/1004304745.db2.gz SYWAICSBNHHASH-HSALFYBXSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001197659203 1004304754 /nfs/dbraw/zinc/30/47/54/1004304754.db2.gz SYWAICSBNHHASH-HSALFYBXSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001197659203 1004304761 /nfs/dbraw/zinc/30/47/61/1004304761.db2.gz SYWAICSBNHHASH-HSALFYBXSA-N 2 1 365.562 2.549 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097065817 1016968001 /nfs/dbraw/zinc/96/80/01/1016968001.db2.gz FXOMUOSRDILKTC-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097065817 1016968011 /nfs/dbraw/zinc/96/80/11/1016968011.db2.gz FXOMUOSRDILKTC-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001097065817 1016968020 /nfs/dbraw/zinc/96/80/20/1016968020.db2.gz FXOMUOSRDILKTC-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001097065817 1016968036 /nfs/dbraw/zinc/96/80/36/1016968036.db2.gz FXOMUOSRDILKTC-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP C#CCCCOc1cccnc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000853456708 1006396179 /nfs/dbraw/zinc/39/61/79/1006396179.db2.gz BFMOHZZFIWIRCI-YOFSQIOKSA-N 2 1 368.525 2.621 20 30 FFEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000883189775 1006693388 /nfs/dbraw/zinc/69/33/88/1006693388.db2.gz OFLSPLJDCOXWPE-FCHUYYIVSA-N 2 1 357.542 2.560 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131312576 1006718222 /nfs/dbraw/zinc/71/82/22/1006718222.db2.gz ALANMFUEOSTGAU-SFHVURJKSA-N 2 1 350.470 2.500 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131312576 1006718234 /nfs/dbraw/zinc/71/82/34/1006718234.db2.gz ALANMFUEOSTGAU-SFHVURJKSA-N 2 1 350.470 2.500 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000113314948 1007319212 /nfs/dbraw/zinc/31/92/12/1007319212.db2.gz RGMRWHQINFYNRF-UHFFFAOYSA-N 2 1 350.462 2.821 20 30 FFEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862499 1007549712 /nfs/dbraw/zinc/54/97/12/1007549712.db2.gz NDIAACYYRWZVHJ-IIDMSEBBSA-N 2 1 362.543 2.725 20 30 FFEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215021 1008488665 /nfs/dbraw/zinc/48/86/65/1008488665.db2.gz XEZHDISEIDJZAQ-KRWDZBQOSA-N 2 1 356.514 2.911 20 30 FFEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215021 1008488666 /nfs/dbraw/zinc/48/86/66/1008488666.db2.gz XEZHDISEIDJZAQ-KRWDZBQOSA-N 2 1 356.514 2.911 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134911895 1009500238 /nfs/dbraw/zinc/50/02/38/1009500238.db2.gz WVNVVMOKYPJTLV-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134911895 1009500246 /nfs/dbraw/zinc/50/02/46/1009500246.db2.gz WVNVVMOKYPJTLV-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134911895 1009500252 /nfs/dbraw/zinc/50/02/52/1009500252.db2.gz WVNVVMOKYPJTLV-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134911895 1009500263 /nfs/dbraw/zinc/50/02/63/1009500263.db2.gz WVNVVMOKYPJTLV-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)CC1 ZINC000862689966 1009933787 /nfs/dbraw/zinc/93/37/87/1009933787.db2.gz GVRLXHJKDWREIC-QFIPXVFZSA-N 2 1 367.537 2.701 20 30 FFEDMP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369573 1010233561 /nfs/dbraw/zinc/23/35/61/1010233561.db2.gz DGFZMAKWTAYBJS-RLLQIKCJSA-N 2 1 359.558 2.996 20 30 FFEDMP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369573 1010233571 /nfs/dbraw/zinc/23/35/71/1010233571.db2.gz DGFZMAKWTAYBJS-RLLQIKCJSA-N 2 1 359.558 2.996 20 30 FFEDMP C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369573 1010233580 /nfs/dbraw/zinc/23/35/80/1010233580.db2.gz DGFZMAKWTAYBJS-RLLQIKCJSA-N 2 1 359.558 2.996 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC=C)CC1 ZINC001110147310 1010347986 /nfs/dbraw/zinc/34/79/86/1010347986.db2.gz WBGCLCJWIWOTCH-HKBOAZHASA-N 2 1 357.542 2.800 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001093767894 1010540300 /nfs/dbraw/zinc/54/03/00/1010540300.db2.gz HHBMRAHABMKXSC-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001274433724 1011441846 /nfs/dbraw/zinc/44/18/46/1011441846.db2.gz XDLCYIQHSNRBNQ-UHFFFAOYSA-N 2 1 359.436 2.515 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001275281956 1012203913 /nfs/dbraw/zinc/20/39/13/1012203913.db2.gz KICICQDQFCVSSY-MMKMLUHNSA-N 2 1 365.562 2.573 20 30 FFEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303771172 1012425783 /nfs/dbraw/zinc/42/57/83/1012425783.db2.gz CLVOHMCBRYGRBV-OAHLLOKOSA-N 2 1 374.407 2.669 20 30 FFEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303876878 1012478095 /nfs/dbraw/zinc/47/80/95/1012478095.db2.gz FCCNLOKRTVLMPO-HDICACEKSA-N 2 1 360.546 2.995 20 30 FFEDMP CC[N@H+](C)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173435581 1012551345 /nfs/dbraw/zinc/55/13/45/1012551345.db2.gz NHVNPMDZGQPECT-UHFFFAOYSA-N 2 1 354.498 2.579 20 30 FFEDMP CC[N@@H+](C)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173435581 1012551356 /nfs/dbraw/zinc/55/13/56/1012551356.db2.gz NHVNPMDZGQPECT-UHFFFAOYSA-N 2 1 354.498 2.579 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)c1OC1CCCC1 ZINC000304756073 1012864420 /nfs/dbraw/zinc/86/44/20/1012864420.db2.gz NJNWDLQWZNLXJF-KRWDZBQOSA-N 2 1 374.529 2.905 20 30 FFEDMP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453273 1017728850 /nfs/dbraw/zinc/72/88/50/1017728850.db2.gz WFJGZONKIXNZPZ-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453273 1017728858 /nfs/dbraw/zinc/72/88/58/1017728858.db2.gz WFJGZONKIXNZPZ-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C\CCC)CC1 ZINC001111455035 1017940856 /nfs/dbraw/zinc/94/08/56/1017940856.db2.gz JIOFNUONSZZHEW-XUVQKCHBSA-N 2 1 357.542 2.800 20 30 FFEDMP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047243183 1019053549 /nfs/dbraw/zinc/05/35/49/1019053549.db2.gz XINHDQVVDVODCI-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941459 1032909784 /nfs/dbraw/zinc/90/97/84/1032909784.db2.gz RWPMLYUQCJIUAC-ZGXWSNOMSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941459 1032909802 /nfs/dbraw/zinc/90/98/02/1032909802.db2.gz RWPMLYUQCJIUAC-ZGXWSNOMSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941459 1032909822 /nfs/dbraw/zinc/90/98/22/1032909822.db2.gz RWPMLYUQCJIUAC-ZGXWSNOMSA-N 2 1 365.562 2.599 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099030009 1021631638 /nfs/dbraw/zinc/63/16/38/1021631638.db2.gz SRSVDWBKVRWCFY-DBVUQKKJSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001099030009 1021631641 /nfs/dbraw/zinc/63/16/41/1021631641.db2.gz SRSVDWBKVRWCFY-DBVUQKKJSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099030009 1021631646 /nfs/dbraw/zinc/63/16/46/1021631646.db2.gz SRSVDWBKVRWCFY-DBVUQKKJSA-N 2 1 351.510 2.746 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001099178780 1022009117 /nfs/dbraw/zinc/00/91/17/1022009117.db2.gz NEEBHJFWFFDPCP-UWJYYQICSA-N 2 1 357.498 2.729 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099263416 1022185809 /nfs/dbraw/zinc/18/58/09/1022185809.db2.gz RVASTYWLLKQYNV-ARFHVFGLSA-N 2 1 361.452 2.804 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198079 1022374329 /nfs/dbraw/zinc/37/43/29/1022374329.db2.gz HGBUKBCUSBTHHO-RLLQIKCJSA-N 2 1 363.546 2.565 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959125 1033221046 /nfs/dbraw/zinc/22/10/46/1033221046.db2.gz MPKQZZRJPSWWKN-YSTOQKLRSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959125 1033221060 /nfs/dbraw/zinc/22/10/60/1033221060.db2.gz MPKQZZRJPSWWKN-YSTOQKLRSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959125 1033221069 /nfs/dbraw/zinc/22/10/69/1033221069.db2.gz MPKQZZRJPSWWKN-YSTOQKLRSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959125 1033221082 /nfs/dbraw/zinc/22/10/82/1033221082.db2.gz MPKQZZRJPSWWKN-YSTOQKLRSA-N 2 1 365.562 2.599 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101437681 1024741416 /nfs/dbraw/zinc/74/14/16/1024741416.db2.gz JGXRHUQPURRNDY-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487163 1024872803 /nfs/dbraw/zinc/87/28/03/1024872803.db2.gz QQWVHXSTSCRDEJ-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487163 1024872817 /nfs/dbraw/zinc/87/28/17/1024872817.db2.gz QQWVHXSTSCRDEJ-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487163 1024872836 /nfs/dbraw/zinc/87/28/36/1024872836.db2.gz QQWVHXSTSCRDEJ-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487163 1024872846 /nfs/dbraw/zinc/87/28/46/1024872846.db2.gz QQWVHXSTSCRDEJ-IRLDBZIGSA-N 2 1 355.526 2.865 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466749 1026015287 /nfs/dbraw/zinc/01/52/87/1026015287.db2.gz VVUOVKVGVWKVGN-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466749 1026015296 /nfs/dbraw/zinc/01/52/96/1026015296.db2.gz VVUOVKVGVWKVGN-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596084 1026389840 /nfs/dbraw/zinc/38/98/40/1026389840.db2.gz MWUJCPKVLQLLCA-WIYYLYMNSA-N 2 1 368.525 2.618 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141580661 1026612842 /nfs/dbraw/zinc/61/28/42/1026612842.db2.gz GYYKJSIPJPXZLQ-FGZHOGPDSA-N 2 1 369.553 2.852 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141580661 1026612844 /nfs/dbraw/zinc/61/28/44/1026612844.db2.gz GYYKJSIPJPXZLQ-FGZHOGPDSA-N 2 1 369.553 2.852 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141580661 1026612848 /nfs/dbraw/zinc/61/28/48/1026612848.db2.gz GYYKJSIPJPXZLQ-FGZHOGPDSA-N 2 1 369.553 2.852 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148087 1027004228 /nfs/dbraw/zinc/00/42/28/1027004228.db2.gz NKMKASYEKHWCNJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148087 1027004236 /nfs/dbraw/zinc/00/42/36/1027004236.db2.gz NKMKASYEKHWCNJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148087 1027004246 /nfs/dbraw/zinc/00/42/46/1027004246.db2.gz NKMKASYEKHWCNJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268467 1027131197 /nfs/dbraw/zinc/13/11/97/1027131197.db2.gz ZBMMPQGYDIQPPX-OLMNPRSZSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436078 1027482987 /nfs/dbraw/zinc/48/29/87/1027482987.db2.gz JPWWHJNDNWPOFI-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436078 1027482997 /nfs/dbraw/zinc/48/29/97/1027482997.db2.gz JPWWHJNDNWPOFI-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773698 1028182092 /nfs/dbraw/zinc/18/20/92/1028182092.db2.gz MHWPGMKYSUKJLG-VQIMIIECSA-N 2 1 363.933 2.945 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001103773698 1028182099 /nfs/dbraw/zinc/18/20/99/1028182099.db2.gz MHWPGMKYSUKJLG-VQIMIIECSA-N 2 1 363.933 2.945 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001103773698 1028182115 /nfs/dbraw/zinc/18/21/15/1028182115.db2.gz MHWPGMKYSUKJLG-VQIMIIECSA-N 2 1 363.933 2.945 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001103773698 1028182118 /nfs/dbraw/zinc/18/21/18/1028182118.db2.gz MHWPGMKYSUKJLG-VQIMIIECSA-N 2 1 363.933 2.945 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111796003 1029472235 /nfs/dbraw/zinc/47/22/35/1029472235.db2.gz PGSASVDHRWOVTP-RXVVDRJESA-N 2 1 356.514 2.845 20 30 FFEDMP [NH3+]C1CCN(c2cc[nH+]c(N3CCC(C#Cc4ccccc4)CC3)n2)CC1 ZINC001157527985 1029608738 /nfs/dbraw/zinc/60/87/38/1029608738.db2.gz BWVIDDPSQRLNKZ-UHFFFAOYSA-N 2 1 361.493 2.672 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153491 1030110661 /nfs/dbraw/zinc/11/06/61/1030110661.db2.gz HXRFCZAPHNDTGD-CAOSSQGBSA-N 2 1 361.452 2.662 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)C1 ZINC001205001205 1031483883 /nfs/dbraw/zinc/48/38/83/1031483883.db2.gz PJLIVBTVWRDUQB-QFIPXVFZSA-N 2 1 369.509 2.943 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001347 1031484671 /nfs/dbraw/zinc/48/46/71/1031484671.db2.gz QHVJJUGYXKRBJY-SOLBZPMBSA-N 2 1 371.472 2.588 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001347 1031484677 /nfs/dbraw/zinc/48/46/77/1031484677.db2.gz QHVJJUGYXKRBJY-SOLBZPMBSA-N 2 1 371.472 2.588 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001346 1031485086 /nfs/dbraw/zinc/48/50/86/1031485086.db2.gz QHVJJUGYXKRBJY-LZLYRXPVSA-N 2 1 371.472 2.588 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001346 1031485095 /nfs/dbraw/zinc/48/50/95/1031485095.db2.gz QHVJJUGYXKRBJY-LZLYRXPVSA-N 2 1 371.472 2.588 20 30 FFEDMP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149733536 1031581517 /nfs/dbraw/zinc/58/15/17/1031581517.db2.gz HZQRSJQFGQDBEL-HSALFYBXSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001149733536 1031581526 /nfs/dbraw/zinc/58/15/26/1031581526.db2.gz HZQRSJQFGQDBEL-HSALFYBXSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001149733536 1031581533 /nfs/dbraw/zinc/58/15/33/1031581533.db2.gz HZQRSJQFGQDBEL-HSALFYBXSA-N 2 1 367.578 2.894 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001223887831 1033628281 /nfs/dbraw/zinc/62/82/81/1033628281.db2.gz USPPJNSMFBLACG-CTNGQTDRSA-N 2 1 359.558 2.997 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001223955193 1033657775 /nfs/dbraw/zinc/65/77/75/1033657775.db2.gz JRENGLGYDFNCDD-YADHBBJMSA-N 2 1 367.537 2.693 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072288 1033972165 /nfs/dbraw/zinc/97/21/65/1033972165.db2.gz OTLHFZLUMKTORA-MOPGFXCFSA-N 2 1 367.578 2.630 20 30 FFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588056 1034901294 /nfs/dbraw/zinc/90/12/94/1034901294.db2.gz RHRJUBQYIKYPPH-CEXWTWQISA-N 2 1 353.526 2.945 20 30 FFEDMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001228602083 1036198781 /nfs/dbraw/zinc/19/87/81/1036198781.db2.gz CFWRGRHAJLWURW-DUXKGJEZSA-N 2 1 371.500 2.536 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001228604019 1036200726 /nfs/dbraw/zinc/20/07/26/1036200726.db2.gz VUGIPWZAWVKJQT-QZTJIDSGSA-N 2 1 360.502 2.867 20 30 FFEDMP C=CCOc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231623261 1037746035 /nfs/dbraw/zinc/74/60/35/1037746035.db2.gz ZIHMZLNZFNOLMY-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231623261 1037746055 /nfs/dbraw/zinc/74/60/55/1037746055.db2.gz ZIHMZLNZFNOLMY-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231623261 1037746070 /nfs/dbraw/zinc/74/60/70/1037746070.db2.gz ZIHMZLNZFNOLMY-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001231623261 1037746076 /nfs/dbraw/zinc/74/60/76/1037746076.db2.gz ZIHMZLNZFNOLMY-RTWAWAEBSA-N 2 1 366.509 2.939 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](CC)CC ZINC001208571269 1038418717 /nfs/dbraw/zinc/41/87/17/1038418717.db2.gz KIOARCCZOBSUCU-NSISKUIASA-N 2 1 356.514 2.615 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001246033694 1039205932 /nfs/dbraw/zinc/20/59/32/1039205932.db2.gz ONFFWIBJABOQOT-TZIWHRDSSA-N 2 1 367.578 2.822 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001246033694 1039205946 /nfs/dbraw/zinc/20/59/46/1039205946.db2.gz ONFFWIBJABOQOT-TZIWHRDSSA-N 2 1 367.578 2.822 20 30 FFEDMP Cc1ccc(-n2ncc(C#N)c2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210262215 1039453516 /nfs/dbraw/zinc/45/35/16/1039453516.db2.gz UXFQBUMFPMELJM-UHFFFAOYSA-N 2 1 359.437 2.601 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001252462178 1039544480 /nfs/dbraw/zinc/54/44/80/1039544480.db2.gz FDDWWJQVBRSQFI-QGZVFWFLSA-N 2 1 350.528 2.600 20 30 FFEDMP N#Cc1cccc(OCCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252949890 1039857137 /nfs/dbraw/zinc/85/71/37/1039857137.db2.gz XGWXKBIGQGPKSB-QFIPXVFZSA-N 2 1 365.477 2.554 20 30 FFEDMP N#Cc1cccc(OCCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252949890 1039857150 /nfs/dbraw/zinc/85/71/50/1039857150.db2.gz XGWXKBIGQGPKSB-QFIPXVFZSA-N 2 1 365.477 2.554 20 30 FFEDMP N#Cc1cc(F)cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909830 1040040748 /nfs/dbraw/zinc/04/07/48/1040040748.db2.gz UFFXHSKWCRDZNF-UHFFFAOYSA-N 2 1 355.417 2.679 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374553 1040119064 /nfs/dbraw/zinc/11/90/64/1040119064.db2.gz HZQGBMKNMVJGHM-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001278734573 1040294475 /nfs/dbraw/zinc/29/44/75/1040294475.db2.gz BINLFMLJJSLFEJ-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)C1 ZINC001278734956 1040299194 /nfs/dbraw/zinc/29/91/94/1040299194.db2.gz NBFPTKFMIZLJND-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccc1C#N ZINC001261205668 1041067085 /nfs/dbraw/zinc/06/70/85/1041067085.db2.gz KONPWHZABNEHBW-UHFFFAOYSA-N 2 1 368.456 2.748 20 30 FFEDMP NC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255131297 1041165378 /nfs/dbraw/zinc/16/53/78/1041165378.db2.gz ZPUYRCCJOPYTAG-OWZKRDHZSA-N 2 1 362.477 2.686 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001262568533 1041726806 /nfs/dbraw/zinc/72/68/06/1041726806.db2.gz YUJRYEAMHXKJGP-OXJNMPFZSA-N 2 1 364.917 2.856 20 30 FFEDMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262990246 1042013611 /nfs/dbraw/zinc/01/36/11/1042013611.db2.gz ULGHFZUMJNHICB-UHFFFAOYSA-N 2 1 358.534 2.515 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001264592889 1042731521 /nfs/dbraw/zinc/73/15/21/1042731521.db2.gz WHVIJRTUFNYTBV-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001264592889 1042731524 /nfs/dbraw/zinc/73/15/24/1042731524.db2.gz WHVIJRTUFNYTBV-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001264592889 1042731526 /nfs/dbraw/zinc/73/15/26/1042731526.db2.gz WHVIJRTUFNYTBV-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001264592889 1042731531 /nfs/dbraw/zinc/73/15/31/1042731531.db2.gz WHVIJRTUFNYTBV-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001265670906 1042871629 /nfs/dbraw/zinc/87/16/29/1042871629.db2.gz XIAZOKAIQWZFKQ-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)cc3F)(C1)CCC2 ZINC001279226003 1042952584 /nfs/dbraw/zinc/95/25/84/1042952584.db2.gz IJOXHMIMQHKYPP-UXHICEINSA-N 2 1 361.461 2.842 20 30 FFEDMP C#CCCC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001279238533 1042961234 /nfs/dbraw/zinc/96/12/34/1042961234.db2.gz DAHBHMBHLBARCD-RBBKRZOGSA-N 2 1 357.542 2.589 20 30 FFEDMP Cc1ncoc1C[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279358503 1043024871 /nfs/dbraw/zinc/02/48/71/1043024871.db2.gz LTBMFDDDMRVQTM-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001279375982 1043036306 /nfs/dbraw/zinc/03/63/06/1043036306.db2.gz MDYXQUJLLRNMIV-OYRHEFFESA-N 2 1 357.498 2.517 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001279375982 1043036309 /nfs/dbraw/zinc/03/63/09/1043036309.db2.gz MDYXQUJLLRNMIV-OYRHEFFESA-N 2 1 357.498 2.517 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3CC#N)C[C@H]2CC1 ZINC001279375982 1043036314 /nfs/dbraw/zinc/03/63/14/1043036314.db2.gz MDYXQUJLLRNMIV-OYRHEFFESA-N 2 1 357.498 2.517 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140458 1043335897 /nfs/dbraw/zinc/33/58/97/1043335897.db2.gz LSBQOIKYCQIBTE-SVFBPWRDSA-N 2 1 354.498 2.733 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140458 1043335904 /nfs/dbraw/zinc/33/59/04/1043335904.db2.gz LSBQOIKYCQIBTE-SVFBPWRDSA-N 2 1 354.498 2.733 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140458 1043335915 /nfs/dbraw/zinc/33/59/15/1043335915.db2.gz LSBQOIKYCQIBTE-SVFBPWRDSA-N 2 1 354.498 2.733 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CCCn2cccc2)CC3)cc1C#N ZINC001280270915 1044508699 /nfs/dbraw/zinc/50/86/99/1044508699.db2.gz LZKJNVRNFMSRGQ-UHFFFAOYSA-N 2 1 351.498 2.686 20 30 FFEDMP COc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccc1C#N ZINC001280315786 1044594727 /nfs/dbraw/zinc/59/47/27/1044594727.db2.gz MPMPJDKAPNCZEC-RTWAWAEBSA-N 2 1 356.514 2.653 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001317870694 1045156943 /nfs/dbraw/zinc/15/69/43/1045156943.db2.gz WGMHSSDLESCWQW-DENIHFKCSA-N 2 1 367.537 2.549 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001317870694 1045156965 /nfs/dbraw/zinc/15/69/65/1045156965.db2.gz WGMHSSDLESCWQW-DENIHFKCSA-N 2 1 367.537 2.549 20 30 FFEDMP CCCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001282771802 1046181346 /nfs/dbraw/zinc/18/13/46/1046181346.db2.gz BSVRDCNQZOXQMA-SFHLNBCPSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001282771802 1046181358 /nfs/dbraw/zinc/18/13/58/1046181358.db2.gz BSVRDCNQZOXQMA-SFHLNBCPSA-N 2 1 365.562 2.600 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001346526989 1053074040 /nfs/dbraw/zinc/07/40/40/1053074040.db2.gz PIPHWPSIUXEMQW-RBUKOAKNSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001346526989 1053074054 /nfs/dbraw/zinc/07/40/54/1053074054.db2.gz PIPHWPSIUXEMQW-RBUKOAKNSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001346526989 1053074065 /nfs/dbraw/zinc/07/40/65/1053074065.db2.gz PIPHWPSIUXEMQW-RBUKOAKNSA-N 2 1 374.577 2.832 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001356609860 1055612499 /nfs/dbraw/zinc/61/24/99/1055612499.db2.gz FPRDJTCHCGUZDY-KRWDZBQOSA-N 2 1 354.416 2.686 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2C#N)C2CCCC2)CC[N@H+]1C ZINC001500087669 1058436334 /nfs/dbraw/zinc/43/63/34/1058436334.db2.gz CNERSNLZVXVAGZ-MAODMQOUSA-N 2 1 368.525 2.663 20 30 FFEDMP CN(CCC[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)CC[NH+](C)C ZINC001460193587 1060919033 /nfs/dbraw/zinc/91/90/33/1060919033.db2.gz JGBQSGCAPPUSRE-UHFFFAOYSA-N 2 1 371.447 2.752 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001479424547 1062372145 /nfs/dbraw/zinc/37/21/45/1062372145.db2.gz IGCSZXRWKKHGGZ-LEWJYISDSA-N 2 1 364.493 2.579 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001479424547 1062372167 /nfs/dbraw/zinc/37/21/67/1062372167.db2.gz IGCSZXRWKKHGGZ-LEWJYISDSA-N 2 1 364.493 2.579 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001479489882 1062474335 /nfs/dbraw/zinc/47/43/35/1062474335.db2.gz VNOSSECARVYKOK-LEWJYISDSA-N 2 1 355.526 2.645 20 30 FFEDMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001565985153 1076829318 /nfs/dbraw/zinc/82/93/18/1076829318.db2.gz WZTPMNUJMGROPB-VQIMIIECSA-N 2 1 362.518 2.923 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001566101799 1076905862 /nfs/dbraw/zinc/90/58/62/1076905862.db2.gz UUGBNDQESHJXGE-APWZRJJASA-N 2 1 361.917 2.612 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001566101799 1076905865 /nfs/dbraw/zinc/90/58/65/1076905865.db2.gz UUGBNDQESHJXGE-APWZRJJASA-N 2 1 361.917 2.612 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001566803655 1076983741 /nfs/dbraw/zinc/98/37/41/1076983741.db2.gz IPXPQNSHRPHJNR-MLZLACJZSA-N 2 1 355.526 2.923 20 30 FFEDMP C=C(C)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(C)cc32)CC1 ZINC001588431032 1080025283 /nfs/dbraw/zinc/02/52/83/1080025283.db2.gz VUCOOEKVQYOBKM-UHFFFAOYSA-N 2 1 363.469 2.598 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420884 250312785 /nfs/dbraw/zinc/31/27/85/250312785.db2.gz KEPRQJAMWUUHDO-NRFANRHFSA-N 2 1 362.477 2.545 20 30 FFEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103229835 508302839 /nfs/dbraw/zinc/30/28/39/508302839.db2.gz SUSPYXLXHXCDJM-NHCUHLMSSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103229835 508302840 /nfs/dbraw/zinc/30/28/40/508302840.db2.gz SUSPYXLXHXCDJM-NHCUHLMSSA-N 2 1 371.525 2.886 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(OC)c1 ZINC000123190304 508649580 /nfs/dbraw/zinc/64/95/80/508649580.db2.gz QGLRTPNVLFGKRN-NEWSRXKRSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123190304 508649583 /nfs/dbraw/zinc/64/95/83/508649583.db2.gz QGLRTPNVLFGKRN-NEWSRXKRSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123190304 508649585 /nfs/dbraw/zinc/64/95/85/508649585.db2.gz QGLRTPNVLFGKRN-NEWSRXKRSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000123190304 508649587 /nfs/dbraw/zinc/64/95/87/508649587.db2.gz QGLRTPNVLFGKRN-NEWSRXKRSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc(OC)c1O ZINC000371468229 512420739 /nfs/dbraw/zinc/42/07/39/512420739.db2.gz AERSCHPIWHMQIS-IPMKNSEASA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc(OC)c1O ZINC000371468229 512420744 /nfs/dbraw/zinc/42/07/44/512420744.db2.gz AERSCHPIWHMQIS-IPMKNSEASA-N 2 1 360.498 2.813 20 30 FFEDMP C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677046 509300007 /nfs/dbraw/zinc/30/00/07/509300007.db2.gz WISYSNJIVOWVCQ-ZWKOTPCHSA-N 2 1 360.546 2.914 20 30 FFEDMP C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677046 509300011 /nfs/dbraw/zinc/30/00/11/509300011.db2.gz WISYSNJIVOWVCQ-ZWKOTPCHSA-N 2 1 360.546 2.914 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000264123040 509341615 /nfs/dbraw/zinc/34/16/15/509341615.db2.gz RNUXAVSZZQTNIU-INIZCTEOSA-N 2 1 372.469 2.538 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000264125152 509341668 /nfs/dbraw/zinc/34/16/68/509341668.db2.gz WDMUGZYIQXJHDX-MRXNPFEDSA-N 2 1 362.518 2.763 20 30 FFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000248866326 509518504 /nfs/dbraw/zinc/51/85/04/509518504.db2.gz QDHPXDNABPLHJX-UXPWSPDFSA-N 2 1 354.498 2.556 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000171727376 510333473 /nfs/dbraw/zinc/33/34/73/510333473.db2.gz VLIBKSQHRANESN-OAQYLSRUSA-N 2 1 370.541 2.991 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000171734087 510337795 /nfs/dbraw/zinc/33/77/95/510337795.db2.gz CJYIBLVSDLZJEG-HXUWFJFHSA-N 2 1 370.541 2.501 20 30 FFEDMP COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150704 510434378 /nfs/dbraw/zinc/43/43/78/510434378.db2.gz KGUYIFBUMPYUOD-SFTDATJTSA-N 2 1 365.477 2.539 20 30 FFEDMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150704 510434384 /nfs/dbraw/zinc/43/43/84/510434384.db2.gz KGUYIFBUMPYUOD-SFTDATJTSA-N 2 1 365.477 2.539 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000270963482 511039372 /nfs/dbraw/zinc/03/93/72/511039372.db2.gz ANGLZLDJYQELRB-IBGZPJMESA-N 2 1 373.497 2.690 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000270963482 511039379 /nfs/dbraw/zinc/03/93/79/511039379.db2.gz ANGLZLDJYQELRB-IBGZPJMESA-N 2 1 373.497 2.690 20 30 FFEDMP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233838 511515388 /nfs/dbraw/zinc/51/53/88/511515388.db2.gz WAENFDBCRVRCEW-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233838 511515390 /nfs/dbraw/zinc/51/53/90/511515390.db2.gz WAENFDBCRVRCEW-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233838 511515392 /nfs/dbraw/zinc/51/53/92/511515392.db2.gz WAENFDBCRVRCEW-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233838 511515394 /nfs/dbraw/zinc/51/53/94/511515394.db2.gz WAENFDBCRVRCEW-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1C#N ZINC000378021344 512552552 /nfs/dbraw/zinc/55/25/52/512552552.db2.gz ZZMXRZKKLHXAEG-UHFFFAOYSA-N 2 1 374.554 2.888 20 30 FFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1c[nH+]cn1C ZINC000412986537 513381466 /nfs/dbraw/zinc/38/14/66/513381466.db2.gz HZKPESKABWIFIV-UHFFFAOYSA-N 2 1 360.531 2.561 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837375 515081125 /nfs/dbraw/zinc/08/11/25/515081125.db2.gz KYCRMABHMBKFHP-NHCUHLMSSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837375 515081133 /nfs/dbraw/zinc/08/11/33/515081133.db2.gz KYCRMABHMBKFHP-NHCUHLMSSA-N 2 1 371.525 2.742 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196847 515241618 /nfs/dbraw/zinc/24/16/18/515241618.db2.gz XZORPVVPTITEGZ-TYCQWZJGSA-N 2 1 362.477 2.585 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000540665352 516657743 /nfs/dbraw/zinc/65/77/43/516657743.db2.gz ZLIDQXZFPRPBEB-UHFFFAOYSA-N 2 1 370.541 2.886 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000519222232 516928277 /nfs/dbraw/zinc/92/82/77/516928277.db2.gz WLSFEAONSKQKCG-PXNSSMCTSA-N 2 1 350.551 2.873 20 30 FFEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CCCC#N)c3ccccc3)cn2)CC1 ZINC000556907245 517739410 /nfs/dbraw/zinc/73/94/10/517739410.db2.gz OSSANEQXOKADKO-HXUWFJFHSA-N 2 1 364.497 2.753 20 30 FFEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000534221731 517794824 /nfs/dbraw/zinc/79/48/24/517794824.db2.gz UWOYSNMGQXTSKZ-MRXNPFEDSA-N 2 1 351.458 2.807 20 30 FFEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000534221731 517794832 /nfs/dbraw/zinc/79/48/32/517794832.db2.gz UWOYSNMGQXTSKZ-MRXNPFEDSA-N 2 1 351.458 2.807 20 30 FFEDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C#N)n1 ZINC000557604491 518101464 /nfs/dbraw/zinc/10/14/64/518101464.db2.gz HMDBAYCYKMKDCP-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC3(C#N)CCCCC3)CC2)CC1 ZINC000576207017 518479844 /nfs/dbraw/zinc/47/98/44/518479844.db2.gz JAENRFHAFIRMFC-UHFFFAOYSA-N 2 1 360.546 2.727 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000576491339 518619119 /nfs/dbraw/zinc/61/91/19/518619119.db2.gz YDESUVLNQSCWNU-SJLPKXTDSA-N 2 1 367.497 2.817 20 30 FFEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000583018821 519036666 /nfs/dbraw/zinc/03/66/66/519036666.db2.gz XUEDYWBXGMUCAJ-AHRSYUTCSA-N 2 1 354.498 2.560 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC000571551630 519153691 /nfs/dbraw/zinc/15/36/91/519153691.db2.gz QLXNMGLTTZYVOV-OQBYNLHGSA-N 2 1 360.498 2.708 20 30 FFEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878534 519943422 /nfs/dbraw/zinc/94/34/22/519943422.db2.gz YFWUPXMSVNFWSQ-AWEZNQCLSA-N 2 1 372.538 2.853 20 30 FFEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878534 519943433 /nfs/dbraw/zinc/94/34/33/519943433.db2.gz YFWUPXMSVNFWSQ-AWEZNQCLSA-N 2 1 372.538 2.853 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443100 519968890 /nfs/dbraw/zinc/96/88/90/519968890.db2.gz LIJVJNYEIRRZCS-HKBOAZHASA-N 2 1 368.525 2.911 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000592352051 520345560 /nfs/dbraw/zinc/34/55/60/520345560.db2.gz UNXWERMYCGCTKZ-UHFFFAOYSA-N 2 1 350.551 2.789 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000592526821 520441520 /nfs/dbraw/zinc/44/15/20/520441520.db2.gz JGOJXSLRLDNSEF-UHFFFAOYSA-N 2 1 350.551 2.790 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4nccn4c3)CC2)cc1 ZINC000610025161 520510987 /nfs/dbraw/zinc/51/09/87/520510987.db2.gz ANSVCAZLNREOPJ-UHFFFAOYSA-N 2 1 374.448 2.946 20 30 FFEDMP N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4nccn4c3)CC2)cc1 ZINC000610025161 520510993 /nfs/dbraw/zinc/51/09/93/520510993.db2.gz ANSVCAZLNREOPJ-UHFFFAOYSA-N 2 1 374.448 2.946 20 30 FFEDMP N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000602048319 521101858 /nfs/dbraw/zinc/10/18/58/521101858.db2.gz WQCNSMDPWZCKLF-NRFANRHFSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000602048319 521101862 /nfs/dbraw/zinc/10/18/62/521101862.db2.gz WQCNSMDPWZCKLF-NRFANRHFSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000602048319 521101867 /nfs/dbraw/zinc/10/18/67/521101867.db2.gz WQCNSMDPWZCKLF-NRFANRHFSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+]3C3CCCC3)CC2)cc1 ZINC000602048319 521101879 /nfs/dbraw/zinc/10/18/79/521101879.db2.gz WQCNSMDPWZCKLF-NRFANRHFSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1cccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000602523016 521395260 /nfs/dbraw/zinc/39/52/60/521395260.db2.gz YICZEHGINNLZHO-UHFFFAOYSA-N 2 1 363.509 2.641 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000619877152 521915023 /nfs/dbraw/zinc/91/50/23/521915023.db2.gz FNFUBJZVAASALO-GOSISDBHSA-N 2 1 356.514 2.713 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)NC[C@@H]1CCCS1 ZINC000157425666 728871926 /nfs/dbraw/zinc/87/19/26/728871926.db2.gz NYBPHJAWEKZRBR-HNNXBMFYSA-N 2 1 361.490 2.880 20 30 FFEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)c2cccs2)CC1 ZINC000262505414 729667503 /nfs/dbraw/zinc/66/75/03/729667503.db2.gz ZSTLTZQGFJKQKN-CVEARBPZSA-N 2 1 350.532 2.557 20 30 FFEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000304795790 729737500 /nfs/dbraw/zinc/73/75/00/729737500.db2.gz MMBBFRFDDRAWEY-UHFFFAOYSA-N 2 1 358.511 2.775 20 30 FFEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000304795790 729737503 /nfs/dbraw/zinc/73/75/03/729737503.db2.gz MMBBFRFDDRAWEY-UHFFFAOYSA-N 2 1 358.511 2.775 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758741 732277879 /nfs/dbraw/zinc/27/78/79/732277879.db2.gz MEKDIBCBLKTZMT-UYAOXDASSA-N 2 1 361.917 2.971 20 30 FFEDMP Cc1sc(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(C#N)c1C ZINC000879250605 732672523 /nfs/dbraw/zinc/67/25/23/732672523.db2.gz WVFZGLLSRYEILP-UHFFFAOYSA-N 2 1 360.527 2.983 20 30 FFEDMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000931307687 739242268 /nfs/dbraw/zinc/24/22/68/739242268.db2.gz NZTVVCBKSKICBK-OALUTQOASA-N 2 1 360.889 2.814 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819334655 742376564 /nfs/dbraw/zinc/37/65/64/742376564.db2.gz IWDLZAABSBFJGK-INIZCTEOSA-N 2 1 373.722 2.855 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819334655 742376567 /nfs/dbraw/zinc/37/65/67/742376567.db2.gz IWDLZAABSBFJGK-INIZCTEOSA-N 2 1 373.722 2.855 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973300 971415612 /nfs/dbraw/zinc/41/56/12/971415612.db2.gz SHZOTBQBCXZJBI-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973300 971415616 /nfs/dbraw/zinc/41/56/16/971415616.db2.gz SHZOTBQBCXZJBI-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973300 971415619 /nfs/dbraw/zinc/41/56/19/971415619.db2.gz SHZOTBQBCXZJBI-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973300 971415608 /nfs/dbraw/zinc/41/56/08/971415608.db2.gz SHZOTBQBCXZJBI-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001104362674 964082334 /nfs/dbraw/zinc/08/23/34/964082334.db2.gz CVIWEWIPJJRPCR-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+]=C(NCc1cccc2cccnc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261995957 965553036 /nfs/dbraw/zinc/55/30/36/965553036.db2.gz SJACVXVKRWDDSG-DNVCBOLYSA-N 2 1 351.498 2.773 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705429 967541463 /nfs/dbraw/zinc/54/14/63/967541463.db2.gz GNURSFAEDQSPIS-NSHGMRRFSA-N 2 1 360.498 2.978 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627967 968445956 /nfs/dbraw/zinc/44/59/56/968445956.db2.gz WEWSLLOTHCGCJP-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674494 974905626 /nfs/dbraw/zinc/90/56/26/974905626.db2.gz FGIZMKHGAPOIMV-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529824 975365288 /nfs/dbraw/zinc/36/52/88/975365288.db2.gz QVLFHEQKNDEUEC-YYWHXJBOSA-N 2 1 365.537 2.993 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087427941 975559449 /nfs/dbraw/zinc/55/94/49/975559449.db2.gz DQMQKWSHZIDMBA-CWJKEVGVSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087427941 975559454 /nfs/dbraw/zinc/55/94/54/975559454.db2.gz DQMQKWSHZIDMBA-CWJKEVGVSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087427941 975559463 /nfs/dbraw/zinc/55/94/63/975559463.db2.gz DQMQKWSHZIDMBA-CWJKEVGVSA-N 2 1 355.526 2.877 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088748658 975751426 /nfs/dbraw/zinc/75/14/26/975751426.db2.gz PPPZAKXMTPUZJZ-ACJLOTCBSA-N 2 1 365.462 2.660 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088748658 975751429 /nfs/dbraw/zinc/75/14/29/975751429.db2.gz PPPZAKXMTPUZJZ-ACJLOTCBSA-N 2 1 365.462 2.660 20 30 FFEDMP C=CCCn1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000653596432 1014388227 /nfs/dbraw/zinc/38/82/27/1014388227.db2.gz VNXPPXWCIPHLGS-UHFFFAOYSA-N 2 1 354.502 2.988 20 30 FFEDMP C=CCCn1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000653596432 1014388237 /nfs/dbraw/zinc/38/82/37/1014388237.db2.gz VNXPPXWCIPHLGS-UHFFFAOYSA-N 2 1 354.502 2.988 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000668368980 980199483 /nfs/dbraw/zinc/19/94/83/980199483.db2.gz LMEWSUJKHYNBIZ-FQEVSTJZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549546 984667411 /nfs/dbraw/zinc/66/74/11/984667411.db2.gz AUXCXESQVDTTCM-NSISKUIASA-N 2 1 351.510 2.746 20 30 FFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549546 984667413 /nfs/dbraw/zinc/66/74/13/984667413.db2.gz AUXCXESQVDTTCM-NSISKUIASA-N 2 1 351.510 2.746 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549546 984667414 /nfs/dbraw/zinc/66/74/14/984667414.db2.gz AUXCXESQVDTTCM-NSISKUIASA-N 2 1 351.510 2.746 20 30 FFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954341 985413784 /nfs/dbraw/zinc/41/37/84/985413784.db2.gz OKQVEGAMLOKZIT-QWFCFKBJSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954341 985413793 /nfs/dbraw/zinc/41/37/93/985413793.db2.gz OKQVEGAMLOKZIT-QWFCFKBJSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954341 985413802 /nfs/dbraw/zinc/41/38/02/985413802.db2.gz OKQVEGAMLOKZIT-QWFCFKBJSA-N 2 1 353.551 2.504 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106266483 987791539 /nfs/dbraw/zinc/79/15/39/987791539.db2.gz MLHQFQIGNNQTJZ-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106266483 987791544 /nfs/dbraw/zinc/79/15/44/987791544.db2.gz MLHQFQIGNNQTJZ-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)[C@@H]1C(C)C ZINC000922392745 988552891 /nfs/dbraw/zinc/55/28/91/988552891.db2.gz GZOCAPDOKZFDII-XCTOGPPJSA-N 2 1 371.525 2.937 20 30 FFEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860256 989698288 /nfs/dbraw/zinc/69/82/88/989698288.db2.gz PZJMNPQPLIYVHN-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652363475 1015542612 /nfs/dbraw/zinc/54/26/12/1015542612.db2.gz FNTMRJPWQDDVNX-YFVAEKQCSA-N 2 1 359.514 2.834 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652363475 1015542623 /nfs/dbraw/zinc/54/26/23/1015542623.db2.gz FNTMRJPWQDDVNX-YFVAEKQCSA-N 2 1 359.514 2.834 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079298875 991986491 /nfs/dbraw/zinc/98/64/91/991986491.db2.gz LBIYVUBMYNMWPZ-IMFGXOCKSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001079318526 991992244 /nfs/dbraw/zinc/99/22/44/991992244.db2.gz JAPLUYLMEVBILG-XKGZKEIXSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050067 992274062 /nfs/dbraw/zinc/27/40/62/992274062.db2.gz NEDYGXXGWWDJCR-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050067 992274069 /nfs/dbraw/zinc/27/40/69/992274069.db2.gz NEDYGXXGWWDJCR-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050067 992274078 /nfs/dbraw/zinc/27/40/78/992274078.db2.gz NEDYGXXGWWDJCR-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001131522346 994363287 /nfs/dbraw/zinc/36/32/87/994363287.db2.gz CVQBMJGWSWYCAW-MOPGFXCFSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001131597019 994445434 /nfs/dbraw/zinc/44/54/34/994445434.db2.gz GWSQYWZEZFJXMZ-DSKINZAPSA-N 2 1 365.562 2.669 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001082568718 994964336 /nfs/dbraw/zinc/96/43/36/994964336.db2.gz NJHDDYPAKLDFCL-YHYVQYDKSA-N 2 1 365.521 2.598 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001082568718 994964344 /nfs/dbraw/zinc/96/43/44/994964344.db2.gz NJHDDYPAKLDFCL-YHYVQYDKSA-N 2 1 365.521 2.598 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)CC1 ZINC000844715967 998088953 /nfs/dbraw/zinc/08/89/53/998088953.db2.gz OTHVGPQZBLKQLL-UFYCRDLUSA-N 2 1 367.537 2.842 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001084990862 998584238 /nfs/dbraw/zinc/58/42/38/998584238.db2.gz JMALAYXZFLGPLV-XLIONFOSSA-N 2 1 356.514 2.651 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001084990862 998584251 /nfs/dbraw/zinc/58/42/51/998584251.db2.gz JMALAYXZFLGPLV-XLIONFOSSA-N 2 1 356.514 2.651 20 30 FFEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747190 1016241082 /nfs/dbraw/zinc/24/10/82/1016241082.db2.gz NGUCWTQNZCBEFI-MLNNCEHLSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747190 1016241084 /nfs/dbraw/zinc/24/10/84/1016241084.db2.gz NGUCWTQNZCBEFI-MLNNCEHLSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747190 1016241091 /nfs/dbraw/zinc/24/10/91/1016241091.db2.gz NGUCWTQNZCBEFI-MLNNCEHLSA-N 2 1 367.537 2.973 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC001085229597 999213433 /nfs/dbraw/zinc/21/34/33/999213433.db2.gz AJOUEVGTSZMHOK-QRVBRYPASA-N 2 1 359.539 2.671 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC001085229597 999213453 /nfs/dbraw/zinc/21/34/53/999213453.db2.gz AJOUEVGTSZMHOK-QRVBRYPASA-N 2 1 359.539 2.671 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1C ZINC001085230067 999215792 /nfs/dbraw/zinc/21/57/92/999215792.db2.gz ZZQZRZPQJCXSLV-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1C ZINC001085230067 999215805 /nfs/dbraw/zinc/21/58/05/999215805.db2.gz ZZQZRZPQJCXSLV-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205194 999806680 /nfs/dbraw/zinc/80/66/80/999806680.db2.gz FHTQEIPRDZENNS-LULLPPNCSA-N 2 1 361.917 2.569 20 30 FFEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001171213294 1000207611 /nfs/dbraw/zinc/20/76/11/1000207611.db2.gz YFGUZYXGYYCKBP-GOSISDBHSA-N 2 1 363.509 2.840 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512328 1000583507 /nfs/dbraw/zinc/58/35/07/1000583507.db2.gz CAWZZHBCGFJXSC-NEWSRXKRSA-N 2 1 351.454 2.569 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001110014902 1001306492 /nfs/dbraw/zinc/30/64/92/1001306492.db2.gz NWUMDJKSMFNKGC-HKBOAZHASA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001110014902 1001306496 /nfs/dbraw/zinc/30/64/96/1001306496.db2.gz NWUMDJKSMFNKGC-HKBOAZHASA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110014902 1001306502 /nfs/dbraw/zinc/30/65/02/1001306502.db2.gz NWUMDJKSMFNKGC-HKBOAZHASA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110014902 1001306506 /nfs/dbraw/zinc/30/65/06/1001306506.db2.gz NWUMDJKSMFNKGC-HKBOAZHASA-N 2 1 371.500 2.631 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3ccc(C#N)cc3)CCCCC2)CC[N@H+]1C ZINC001276200196 1016525436 /nfs/dbraw/zinc/52/54/36/1016525436.db2.gz LSDMVLLDHGPLAZ-YLJYHZDGSA-N 2 1 368.525 2.807 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365438 1002422885 /nfs/dbraw/zinc/42/28/85/1002422885.db2.gz KDWBJLVYGOLTFO-NRSPTQNISA-N 2 1 355.526 2.831 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@]2(C)C1 ZINC001092312932 1002658844 /nfs/dbraw/zinc/65/88/44/1002658844.db2.gz MLBYWIBKGWRTMY-UTKZUKDTSA-N 2 1 357.498 2.539 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001086600836 1002755143 /nfs/dbraw/zinc/75/51/43/1002755143.db2.gz QNZUQGQHPOMLDE-HBMCJLEFSA-N 2 1 353.510 2.631 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OC ZINC001201417376 1005212016 /nfs/dbraw/zinc/21/20/16/1005212016.db2.gz WTSQQXIGZUZYSC-OALUTQOASA-N 2 1 360.498 2.727 20 30 FFEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000883173962 1006684578 /nfs/dbraw/zinc/68/45/78/1006684578.db2.gz XRMKBZJTDLGUEZ-RTWAWAEBSA-N 2 1 371.525 2.678 20 30 FFEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110684746 1006811829 /nfs/dbraw/zinc/81/18/29/1006811829.db2.gz WUQCUSGWXKQUMK-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110684746 1006811843 /nfs/dbraw/zinc/81/18/43/1006811843.db2.gz WUQCUSGWXKQUMK-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110684746 1006811856 /nfs/dbraw/zinc/81/18/56/1006811856.db2.gz WUQCUSGWXKQUMK-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110684746 1006811873 /nfs/dbraw/zinc/81/18/73/1006811873.db2.gz WUQCUSGWXKQUMK-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)C1 ZINC000884186289 1007298156 /nfs/dbraw/zinc/29/81/56/1007298156.db2.gz WNGXBYSORCFTIB-PWZSCBMMSA-N 2 1 366.509 2.996 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)C1 ZINC000884186287 1007299001 /nfs/dbraw/zinc/29/90/01/1007299001.db2.gz WNGXBYSORCFTIB-LQTJSLJRSA-N 2 1 366.509 2.996 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094496577 1011157416 /nfs/dbraw/zinc/15/74/16/1011157416.db2.gz BNEXUIUXWGUOBG-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094496577 1011157420 /nfs/dbraw/zinc/15/74/20/1011157420.db2.gz BNEXUIUXWGUOBG-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094496577 1011157422 /nfs/dbraw/zinc/15/74/22/1011157422.db2.gz BNEXUIUXWGUOBG-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094496579 1011158000 /nfs/dbraw/zinc/15/80/00/1011158000.db2.gz BNEXUIUXWGUOBG-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094496579 1011158004 /nfs/dbraw/zinc/15/80/04/1011158004.db2.gz BNEXUIUXWGUOBG-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094496579 1011158007 /nfs/dbraw/zinc/15/80/07/1011158007.db2.gz BNEXUIUXWGUOBG-TUNNFDKTSA-N 2 1 357.542 2.778 20 30 FFEDMP CC[NH+](CC)CCn1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cn1 ZINC001203252548 1012191919 /nfs/dbraw/zinc/19/19/19/1012191919.db2.gz AENGMAMECDDEBM-UHFFFAOYSA-N 2 1 358.515 2.890 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000303788139 1012430543 /nfs/dbraw/zinc/43/05/43/1012430543.db2.gz TYGJTTPGVHRQBP-WIYYLYMNSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303788139 1012430553 /nfs/dbraw/zinc/43/05/53/1012430553.db2.gz TYGJTTPGVHRQBP-WIYYLYMNSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000303788139 1012430567 /nfs/dbraw/zinc/43/05/67/1012430567.db2.gz TYGJTTPGVHRQBP-WIYYLYMNSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H]1CCCc2ccccc21 ZINC000304761329 1012871260 /nfs/dbraw/zinc/87/12/60/1012871260.db2.gz UHGJBSKKMPRMLX-AZUAARDMSA-N 2 1 358.530 2.859 20 30 FFEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000304764954 1012872725 /nfs/dbraw/zinc/87/27/25/1012872725.db2.gz YRCHAMDZCZLKLL-UHFFFAOYSA-N 2 1 374.920 2.762 20 30 FFEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000924575712 1017359654 /nfs/dbraw/zinc/35/96/54/1017359654.db2.gz MNTZDUVRNFVLGV-INIZCTEOSA-N 2 1 364.534 2.990 20 30 FFEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222095555 1032757168 /nfs/dbraw/zinc/75/71/68/1032757168.db2.gz VMDVGNCTPJMEJZ-UHFFFAOYSA-N 2 1 362.477 2.878 20 30 FFEDMP CN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000827685476 1018611523 /nfs/dbraw/zinc/61/15/23/1018611523.db2.gz NKISKQCRPXKYPK-WOJBJXKFSA-N 2 1 373.566 2.895 20 30 FFEDMP C=CC[NH+]1CCC[C@H](N(Cc2ccccn2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001072133171 1020278491 /nfs/dbraw/zinc/27/84/91/1020278491.db2.gz ZFORNSZRFUGTBI-HLAWJBBLSA-N 2 1 370.541 2.791 20 30 FFEDMP C=CC[N@H+]1CCC[C@H](N(Cc2ccccn2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001072133171 1020278492 /nfs/dbraw/zinc/27/84/92/1020278492.db2.gz ZFORNSZRFUGTBI-HLAWJBBLSA-N 2 1 370.541 2.791 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H](N(Cc2ccccn2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001072133171 1020278493 /nfs/dbraw/zinc/27/84/93/1020278493.db2.gz ZFORNSZRFUGTBI-HLAWJBBLSA-N 2 1 370.541 2.791 20 30 FFEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005958 1020344587 /nfs/dbraw/zinc/34/45/87/1020344587.db2.gz MOHTZQUUEUCZNR-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005958 1020344600 /nfs/dbraw/zinc/34/46/00/1020344600.db2.gz MOHTZQUUEUCZNR-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001073005958 1020344607 /nfs/dbraw/zinc/34/46/07/1020344607.db2.gz MOHTZQUUEUCZNR-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101203 1021793797 /nfs/dbraw/zinc/79/37/97/1021793797.db2.gz NGFKCWTWQVJJSX-HKUYNNGSSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101203 1021793810 /nfs/dbraw/zinc/79/38/10/1021793810.db2.gz NGFKCWTWQVJJSX-HKUYNNGSSA-N 2 1 353.938 2.830 20 30 FFEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001016841384 1022114337 /nfs/dbraw/zinc/11/43/37/1022114337.db2.gz XZCSPVKQIJYNKQ-HKBOAZHASA-N 2 1 367.537 2.879 20 30 FFEDMP C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000188107665 1023015014 /nfs/dbraw/zinc/01/50/14/1023015014.db2.gz ADYAUEUQWQXLPS-SFHVURJKSA-N 2 1 372.513 2.578 20 30 FFEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218362796 1033123670 /nfs/dbraw/zinc/12/36/70/1033123670.db2.gz DKOWTCQMBJCLFO-VQTJNVASSA-N 2 1 363.546 2.519 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218362796 1033123688 /nfs/dbraw/zinc/12/36/88/1033123688.db2.gz DKOWTCQMBJCLFO-VQTJNVASSA-N 2 1 363.546 2.519 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC001218362796 1033123694 /nfs/dbraw/zinc/12/36/94/1033123694.db2.gz DKOWTCQMBJCLFO-VQTJNVASSA-N 2 1 363.546 2.519 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001122631285 1023379732 /nfs/dbraw/zinc/37/97/32/1023379732.db2.gz PMDMYVNKHLBLOY-OALUTQOASA-N 2 1 374.577 2.832 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121495121 1023810071 /nfs/dbraw/zinc/81/00/71/1023810071.db2.gz CELGLPPTEQQBMJ-OALUTQOASA-N 2 1 372.561 2.586 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001101278762 1024303683 /nfs/dbraw/zinc/30/36/83/1024303683.db2.gz ZMOXJWPZQZOAML-ZVDOUQERSA-N 2 1 359.558 2.997 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059321 1025379144 /nfs/dbraw/zinc/37/91/44/1025379144.db2.gz KUPVPLSYRBJINN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059321 1025379154 /nfs/dbraw/zinc/37/91/54/1025379154.db2.gz KUPVPLSYRBJINN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059321 1025379162 /nfs/dbraw/zinc/37/91/62/1025379162.db2.gz KUPVPLSYRBJINN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987374 1026859295 /nfs/dbraw/zinc/85/92/95/1026859295.db2.gz AGFDOHIATTVEPL-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987374 1026859304 /nfs/dbraw/zinc/85/93/04/1026859304.db2.gz AGFDOHIATTVEPL-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987374 1026859312 /nfs/dbraw/zinc/85/93/12/1026859312.db2.gz AGFDOHIATTVEPL-AQNXPRMDSA-N 2 1 359.558 2.739 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987439 1026859673 /nfs/dbraw/zinc/85/96/73/1026859673.db2.gz CEKHLXXJHPFOML-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237160 1027089947 /nfs/dbraw/zinc/08/99/47/1027089947.db2.gz JBPCRLRFORFURT-QZTJIDSGSA-N 2 1 358.530 2.802 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237160 1027089956 /nfs/dbraw/zinc/08/99/56/1027089956.db2.gz JBPCRLRFORFURT-QZTJIDSGSA-N 2 1 358.530 2.802 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001103438468 1027484916 /nfs/dbraw/zinc/48/49/16/1027484916.db2.gz KSJAXPFAHDRJBC-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001103438468 1027484923 /nfs/dbraw/zinc/48/49/23/1027484923.db2.gz KSJAXPFAHDRJBC-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001103438468 1027484928 /nfs/dbraw/zinc/48/49/28/1027484928.db2.gz KSJAXPFAHDRJBC-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534211 1027647544 /nfs/dbraw/zinc/64/75/44/1027647544.db2.gz YESRVKMMTMUREE-RHSMWYFYSA-N 2 1 352.910 2.798 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534211 1027647548 /nfs/dbraw/zinc/64/75/48/1027647548.db2.gz YESRVKMMTMUREE-RHSMWYFYSA-N 2 1 352.910 2.798 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544002 1027658311 /nfs/dbraw/zinc/65/83/11/1027658311.db2.gz BPXCVXYXJVXXFT-VAMGGRTRSA-N 2 1 367.578 2.630 20 30 FFEDMP C[N@H+]1CCc2c(C#N)c(Nc3cc[nH+]c(N4CCOCC4)c3)sc2C1 ZINC001212990391 1027971459 /nfs/dbraw/zinc/97/14/59/1027971459.db2.gz PHNXWIXUGVWQOE-UHFFFAOYSA-N 2 1 355.467 2.583 20 30 FFEDMP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000796763936 1030912084 /nfs/dbraw/zinc/91/20/84/1030912084.db2.gz RYYPTXYPRQUVLR-JOCHJYFZSA-N 2 1 368.525 2.760 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415336 1031727537 /nfs/dbraw/zinc/72/75/37/1031727537.db2.gz OXZCWSCCIXKDEH-QHAWAJNXSA-N 2 1 371.500 2.607 20 30 FFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518594 1031803600 /nfs/dbraw/zinc/80/36/00/1031803600.db2.gz DJCAWSWIWOFCEY-IEBWSBKVSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518594 1031803616 /nfs/dbraw/zinc/80/36/16/1031803616.db2.gz DJCAWSWIWOFCEY-IEBWSBKVSA-N 2 1 353.551 2.504 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000829779425 1033332928 /nfs/dbraw/zinc/33/29/28/1033332928.db2.gz UNCNGKHZPPYKQI-HXUWFJFHSA-N 2 1 367.537 2.811 20 30 FFEDMP C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799125 1033344327 /nfs/dbraw/zinc/34/43/27/1033344327.db2.gz KLXYHNFFLCQCLH-UXHICEINSA-N 2 1 367.537 2.891 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001219052058 1033490695 /nfs/dbraw/zinc/49/06/95/1033490695.db2.gz CLPQHEWEIUSMFN-DZFGPLHGSA-N 2 1 371.525 2.628 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224197980 1033765666 /nfs/dbraw/zinc/76/56/66/1033765666.db2.gz IADJAPAEJKKCGB-AABGKKOBSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224197980 1033765683 /nfs/dbraw/zinc/76/56/83/1033765683.db2.gz IADJAPAEJKKCGB-AABGKKOBSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001224197980 1033765702 /nfs/dbraw/zinc/76/57/02/1033765702.db2.gz IADJAPAEJKKCGB-AABGKKOBSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001224197980 1033765716 /nfs/dbraw/zinc/76/57/16/1033765716.db2.gz IADJAPAEJKKCGB-AABGKKOBSA-N 2 1 365.562 2.600 20 30 FFEDMP C=CCc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001138627503 1034479929 /nfs/dbraw/zinc/47/99/29/1034479929.db2.gz KHEVVSLIAJZCCF-TZIWHRDSSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001138627503 1034479936 /nfs/dbraw/zinc/47/99/36/1034479936.db2.gz KHEVVSLIAJZCCF-TZIWHRDSSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001138627503 1034479948 /nfs/dbraw/zinc/47/99/48/1034479948.db2.gz KHEVVSLIAJZCCF-TZIWHRDSSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001138627503 1034479951 /nfs/dbraw/zinc/47/99/51/1034479951.db2.gz KHEVVSLIAJZCCF-TZIWHRDSSA-N 2 1 366.509 2.808 20 30 FFEDMP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2cnc[nH]2)cc1F ZINC001226680264 1034786282 /nfs/dbraw/zinc/78/62/82/1034786282.db2.gz ULPZXZKDLPEFFI-RTBURBONSA-N 2 1 369.444 2.570 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001227091391 1034932655 /nfs/dbraw/zinc/93/26/55/1034932655.db2.gz LYBPENXKEQCOLQ-NJDAHSKKSA-N 2 1 371.500 2.679 20 30 FFEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21)[NH+](CC)CC ZINC001221810454 1035086519 /nfs/dbraw/zinc/08/65/19/1035086519.db2.gz SEOCGYZTKIDEJI-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)[NH+](CC)CC ZINC001221810454 1035086526 /nfs/dbraw/zinc/08/65/26/1035086526.db2.gz SEOCGYZTKIDEJI-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001221936497 1035166567 /nfs/dbraw/zinc/16/65/67/1035166567.db2.gz KBYKQEBYIDRBAG-UZKOGDIHSA-N 2 1 355.526 2.962 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001221936497 1035166569 /nfs/dbraw/zinc/16/65/69/1035166569.db2.gz KBYKQEBYIDRBAG-UZKOGDIHSA-N 2 1 355.526 2.962 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cccc(C#N)c4Cl)C[C@@H]3C2)cn1 ZINC001140812125 1036210182 /nfs/dbraw/zinc/21/01/82/1036210182.db2.gz MTPUEWRGHUBCHM-MJGOQNOKSA-N 2 1 369.900 2.899 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229852056 1036934644 /nfs/dbraw/zinc/93/46/44/1036934644.db2.gz DCZVHKJINGMXRR-WOJBJXKFSA-N 2 1 356.514 2.807 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001230279451 1037188754 /nfs/dbraw/zinc/18/87/54/1037188754.db2.gz BNOXTZAXGQHYNS-RTBURBONSA-N 2 1 360.477 2.555 20 30 FFEDMP C=C(C)CN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610313 1038643239 /nfs/dbraw/zinc/64/32/39/1038643239.db2.gz PARZXCRXUCYCNL-IFMALSPDSA-N 2 1 355.526 2.832 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246035671 1039209458 /nfs/dbraw/zinc/20/94/58/1039209458.db2.gz OBHABGOHQCKKJN-ZJOUEHCJSA-N 2 1 366.546 2.739 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC001278638317 1039357819 /nfs/dbraw/zinc/35/78/19/1039357819.db2.gz SCJZVQZLQKERGG-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC001278638317 1039357854 /nfs/dbraw/zinc/35/78/54/1039357854.db2.gz SCJZVQZLQKERGG-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246593738 1039408370 /nfs/dbraw/zinc/40/83/70/1039408370.db2.gz NMSZPTKGMGYQKO-OAQYLSRUSA-N 2 1 354.498 2.614 20 30 FFEDMP C=CCOC[C@@H](O)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001252474157 1039547909 /nfs/dbraw/zinc/54/79/09/1039547909.db2.gz VLKCCTLUGPRKFO-NRFANRHFSA-N 2 1 358.526 2.928 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211429416 1040188509 /nfs/dbraw/zinc/18/85/09/1040188509.db2.gz HURHLHMMZSNHDS-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP N#Cc1ccn2ncc(CN3C[C@@H]4C[N@@H+](Cc5ccncc5)CC[C@@H]4C3)c2c1 ZINC001249092424 1040578123 /nfs/dbraw/zinc/57/81/23/1040578123.db2.gz AZNXTOOIQFDAQT-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP N#Cc1ccn2ncc(CN3C[C@@H]4C[N@H+](Cc5ccncc5)CC[C@@H]4C3)c2c1 ZINC001249092424 1040578130 /nfs/dbraw/zinc/57/81/30/1040578130.db2.gz AZNXTOOIQFDAQT-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP N#Cc1ccn2ncc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001249092424 1040578143 /nfs/dbraw/zinc/57/81/43/1040578143.db2.gz AZNXTOOIQFDAQT-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP N#Cc1ccn2ncc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001249092424 1040578150 /nfs/dbraw/zinc/57/81/50/1040578150.db2.gz AZNXTOOIQFDAQT-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP N#Cc1ccn2ncc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001249092424 1040578154 /nfs/dbraw/zinc/57/81/54/1040578154.db2.gz AZNXTOOIQFDAQT-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP N#Cc1ccn2ncc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001249092424 1040578159 /nfs/dbraw/zinc/57/81/59/1040578159.db2.gz AZNXTOOIQFDAQT-CTNGQTDRSA-N 2 1 372.476 2.555 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024875 1041649184 /nfs/dbraw/zinc/64/91/84/1041649184.db2.gz RKPSKZLFXKROAH-CRAIPNDOSA-N 2 1 350.507 2.757 20 30 FFEDMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215973037 1041920386 /nfs/dbraw/zinc/92/03/86/1041920386.db2.gz MXGRERUXRIIJIL-IFMALSPDSA-N 2 1 369.553 2.987 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001264001771 1042575629 /nfs/dbraw/zinc/57/56/29/1042575629.db2.gz HMOGMIPYAHJTSH-XYPHTWIQSA-N 2 1 364.921 2.723 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264593024 1042731086 /nfs/dbraw/zinc/73/10/86/1042731086.db2.gz ZXPAOPNSGUWTOM-WOJBJXKFSA-N 2 1 355.526 2.879 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475505 1043157919 /nfs/dbraw/zinc/15/79/19/1043157919.db2.gz ZHWQHOULSQHQHB-SVFBPWRDSA-N 2 1 356.514 2.610 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475505 1043157925 /nfs/dbraw/zinc/15/79/25/1043157925.db2.gz ZHWQHOULSQHQHB-SVFBPWRDSA-N 2 1 356.514 2.610 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475505 1043157929 /nfs/dbraw/zinc/15/79/29/1043157929.db2.gz ZHWQHOULSQHQHB-SVFBPWRDSA-N 2 1 356.514 2.610 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001279498231 1043189811 /nfs/dbraw/zinc/18/98/11/1043189811.db2.gz YTQNXAVZVYYSAD-OAQYLSRUSA-N 2 1 356.514 2.503 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001279498231 1043189816 /nfs/dbraw/zinc/18/98/16/1043189816.db2.gz YTQNXAVZVYYSAD-OAQYLSRUSA-N 2 1 356.514 2.503 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CC2OC=CC2=S)CC3)cc1C#N ZINC001279692929 1043479331 /nfs/dbraw/zinc/47/93/31/1043479331.db2.gz QRICBVAYHNOFIH-UHFFFAOYSA-N 2 1 356.495 2.876 20 30 FFEDMP C=CCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001279828866 1043731594 /nfs/dbraw/zinc/73/15/94/1043731594.db2.gz SXMUMTXONNYVBH-IBGZPJMESA-N 2 1 363.546 2.519 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001280038069 1044118617 /nfs/dbraw/zinc/11/86/17/1044118617.db2.gz ISAAKRGYDJCMPY-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP CC(C)OCC[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280083815 1044185170 /nfs/dbraw/zinc/18/51/70/1044185170.db2.gz WIWYSENRCIULNX-UHFFFAOYSA-N 2 1 358.530 3.000 20 30 FFEDMP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582530 1070938929 /nfs/dbraw/zinc/93/89/29/1070938929.db2.gz PMMWRFGTJZKUNH-NRFANRHFSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582530 1070938945 /nfs/dbraw/zinc/93/89/45/1070938945.db2.gz PMMWRFGTJZKUNH-NRFANRHFSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582530 1070938955 /nfs/dbraw/zinc/93/89/55/1070938955.db2.gz PMMWRFGTJZKUNH-NRFANRHFSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582530 1070938965 /nfs/dbraw/zinc/93/89/65/1070938965.db2.gz PMMWRFGTJZKUNH-NRFANRHFSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC#C[C@@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307508333 1052315088 /nfs/dbraw/zinc/31/50/88/1052315088.db2.gz TZCIUPCZXSYAAQ-LJQANCHMSA-N 2 1 355.526 2.749 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001520505589 1059743394 /nfs/dbraw/zinc/74/33/94/1059743394.db2.gz WXAZPTQGSBCPRO-QGZVFWFLSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001520505589 1059743402 /nfs/dbraw/zinc/74/34/02/1059743402.db2.gz WXAZPTQGSBCPRO-QGZVFWFLSA-N 2 1 358.534 2.686 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001479641405 1062693726 /nfs/dbraw/zinc/69/37/26/1062693726.db2.gz YUXHWEUJBOXVEY-RBUKOAKNSA-N 2 1 361.917 2.612 20 30 FFEDMP C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001574921856 1078093204 /nfs/dbraw/zinc/09/32/04/1078093204.db2.gz LONDINNBKYGJFN-KURKYZTESA-N 2 1 360.550 2.978 20 30 FFEDMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575443594 1078141312 /nfs/dbraw/zinc/14/13/12/1078141312.db2.gz CYNUJKRJFTVNOS-IBGZPJMESA-N 2 1 356.514 2.602 20 30 FFEDMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575443594 1078141314 /nfs/dbraw/zinc/14/13/14/1078141314.db2.gz CYNUJKRJFTVNOS-IBGZPJMESA-N 2 1 356.514 2.602 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001558054517 1075935145 /nfs/dbraw/zinc/93/51/45/1075935145.db2.gz RUFOJQOBRKNPPK-RTWAWAEBSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001558054517 1075935146 /nfs/dbraw/zinc/93/51/46/1075935146.db2.gz RUFOJQOBRKNPPK-RTWAWAEBSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001558054517 1075935147 /nfs/dbraw/zinc/93/51/47/1075935147.db2.gz RUFOJQOBRKNPPK-RTWAWAEBSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001558054517 1075935149 /nfs/dbraw/zinc/93/51/49/1075935149.db2.gz RUFOJQOBRKNPPK-RTWAWAEBSA-N 2 1 353.510 2.597 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001564848009 1076664085 /nfs/dbraw/zinc/66/40/85/1076664085.db2.gz YCADWIOBJKUQTL-UHFFFAOYSA-N 2 1 370.541 2.592 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001564848009 1076664088 /nfs/dbraw/zinc/66/40/88/1076664088.db2.gz YCADWIOBJKUQTL-UHFFFAOYSA-N 2 1 370.541 2.592 20 30 FFEDMP C#CC[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574517817 1078007304 /nfs/dbraw/zinc/00/73/04/1078007304.db2.gz QOPYIWAKZHFZRM-IRLDBZIGSA-N 2 1 353.510 2.550 20 30 FFEDMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000058396937 507412740 /nfs/dbraw/zinc/41/27/40/507412740.db2.gz JLBIAHHWLZPUDZ-UHFFFAOYSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377624383 512359813 /nfs/dbraw/zinc/35/98/13/512359813.db2.gz JBDAVWNYPRAAKO-YLJYHZDGSA-N 2 1 356.514 2.578 20 30 FFEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)C[C@H](C)O1 ZINC000092587201 508084665 /nfs/dbraw/zinc/08/46/65/508084665.db2.gz BMQAJGQZFAZTTL-CALCHBBNSA-N 2 1 367.497 2.527 20 30 FFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)C[C@H](C)O1 ZINC000092587201 508084668 /nfs/dbraw/zinc/08/46/68/508084668.db2.gz BMQAJGQZFAZTTL-CALCHBBNSA-N 2 1 367.497 2.527 20 30 FFEDMP C=CCOc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000093142161 508124565 /nfs/dbraw/zinc/12/45/65/508124565.db2.gz KTZRTEPBCQDSFT-UHFFFAOYSA-N 2 1 371.525 2.628 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000111883638 508134189 /nfs/dbraw/zinc/13/41/89/508134189.db2.gz PSDAKNWXHWOERU-FQEVSTJZSA-N 2 1 371.529 2.506 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158775113 508751106 /nfs/dbraw/zinc/75/11/06/508751106.db2.gz YBRNIJYILWHHLF-TZIWHRDSSA-N 2 1 368.525 2.966 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000130853342 508856201 /nfs/dbraw/zinc/85/62/01/508856201.db2.gz SJPDWIKTCLVPRY-KRWDZBQOSA-N 2 1 353.470 2.849 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000130853342 508856203 /nfs/dbraw/zinc/85/62/03/508856203.db2.gz SJPDWIKTCLVPRY-KRWDZBQOSA-N 2 1 353.470 2.849 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000162816644 509307816 /nfs/dbraw/zinc/30/78/16/509307816.db2.gz FHDMTSGSCDZDMY-UFYCRDLUSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000162816644 509307818 /nfs/dbraw/zinc/30/78/18/509307818.db2.gz FHDMTSGSCDZDMY-UFYCRDLUSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000162816644 509307822 /nfs/dbraw/zinc/30/78/22/509307822.db2.gz FHDMTSGSCDZDMY-UFYCRDLUSA-N 2 1 374.525 2.580 20 30 FFEDMP C[C@@H](NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000264074492 509317226 /nfs/dbraw/zinc/31/72/26/509317226.db2.gz FERYLIQUFQYPAV-CYBMUJFWSA-N 2 1 372.344 2.596 20 30 FFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000264538300 509587167 /nfs/dbraw/zinc/58/71/67/509587167.db2.gz GUFIWPPGLYYOJE-HDICACEKSA-N 2 1 357.498 2.910 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3C)CC2)CC1 ZINC000186226302 509587369 /nfs/dbraw/zinc/58/73/69/509587369.db2.gz NEFRJTNWOWYLHD-UHFFFAOYSA-N 2 1 368.525 2.633 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000183139596 509621109 /nfs/dbraw/zinc/62/11/09/509621109.db2.gz YCDOZHZCTCVZML-QRWLVFNGSA-N 2 1 353.470 2.886 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000183139633 509621435 /nfs/dbraw/zinc/62/14/35/509621435.db2.gz YCDOZHZCTCVZML-YWZLYKJASA-N 2 1 353.470 2.886 20 30 FFEDMP COCC[N@@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264976027 509805555 /nfs/dbraw/zinc/80/55/55/509805555.db2.gz SIAOFSUWWWMMRD-UHFFFAOYSA-N 2 1 355.486 2.522 20 30 FFEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000265010421 509820876 /nfs/dbraw/zinc/82/08/76/509820876.db2.gz QHWNFJSZVLYPLH-OALUTQOASA-N 2 1 356.514 2.579 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183500104 509828774 /nfs/dbraw/zinc/82/87/74/509828774.db2.gz WJWADJSBCOTQDG-MRXNPFEDSA-N 2 1 373.497 2.820 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000171714420 510326255 /nfs/dbraw/zinc/32/62/55/510326255.db2.gz DWZXVNRJSFJUNJ-GOSISDBHSA-N 2 1 359.489 2.804 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000246926114 510751059 /nfs/dbraw/zinc/75/10/59/510751059.db2.gz QGLRTPNVLFGKRN-NZSAHSFTSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000246926114 510751061 /nfs/dbraw/zinc/75/10/61/510751061.db2.gz QGLRTPNVLFGKRN-NZSAHSFTSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000246926114 510751065 /nfs/dbraw/zinc/75/10/65/510751065.db2.gz QGLRTPNVLFGKRN-NZSAHSFTSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000246926114 510751067 /nfs/dbraw/zinc/75/10/67/510751067.db2.gz QGLRTPNVLFGKRN-NZSAHSFTSA-N 2 1 362.514 2.578 20 30 FFEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccncc2)n1 ZINC000278708782 511004659 /nfs/dbraw/zinc/00/46/59/511004659.db2.gz RPEGDKANLUREDK-UHFFFAOYSA-N 2 1 350.470 2.575 20 30 FFEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459590 511089588 /nfs/dbraw/zinc/08/95/88/511089588.db2.gz UGOYFQACIJUDME-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459590 511089591 /nfs/dbraw/zinc/08/95/91/511089591.db2.gz UGOYFQACIJUDME-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459590 511089597 /nfs/dbraw/zinc/08/95/97/511089597.db2.gz UGOYFQACIJUDME-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459590 511089602 /nfs/dbraw/zinc/08/96/02/511089602.db2.gz UGOYFQACIJUDME-KRWDZBQOSA-N 2 1 352.486 2.632 20 30 FFEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000290565029 511146176 /nfs/dbraw/zinc/14/61/76/511146176.db2.gz ZXJCDMUQXOAWII-QFIPXVFZSA-N 2 1 361.489 2.655 20 30 FFEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000303863639 511754137 /nfs/dbraw/zinc/75/41/37/511754137.db2.gz AKIHUOZGEREFAM-GOSISDBHSA-N 2 1 352.482 2.986 20 30 FFEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000312094986 511783092 /nfs/dbraw/zinc/78/30/92/511783092.db2.gz HTMIAVUOXSKWIE-NRFANRHFSA-N 2 1 365.477 2.552 20 30 FFEDMP C[C@@H]1[NH+](CC#CC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000367461506 512510884 /nfs/dbraw/zinc/51/08/84/512510884.db2.gz AGWZLQJFBPMNII-PMACEKPBSA-N 2 1 360.542 2.772 20 30 FFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000378371386 512725102 /nfs/dbraw/zinc/72/51/02/512725102.db2.gz OXBQTZZCHNOWKI-QHAWAJNXSA-N 2 1 356.514 2.720 20 30 FFEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)c(OC)c3)CC2)CC1 ZINC000421376469 513242149 /nfs/dbraw/zinc/24/21/49/513242149.db2.gz QKVGVZVCAOZYMQ-UHFFFAOYSA-N 2 1 356.514 2.559 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531023 513814302 /nfs/dbraw/zinc/81/43/02/513814302.db2.gz RCBFHKMESOHWEL-QFIPXVFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531023 513814308 /nfs/dbraw/zinc/81/43/08/513814308.db2.gz RCBFHKMESOHWEL-QFIPXVFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531023 513814314 /nfs/dbraw/zinc/81/43/14/513814314.db2.gz RCBFHKMESOHWEL-QFIPXVFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531023 513814319 /nfs/dbraw/zinc/81/43/19/513814319.db2.gz RCBFHKMESOHWEL-QFIPXVFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531023 513814322 /nfs/dbraw/zinc/81/43/22/513814322.db2.gz RCBFHKMESOHWEL-QFIPXVFZSA-N 2 1 368.525 2.519 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000451531023 513814329 /nfs/dbraw/zinc/81/43/29/513814329.db2.gz RCBFHKMESOHWEL-QFIPXVFZSA-N 2 1 368.525 2.519 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000424136381 514395084 /nfs/dbraw/zinc/39/50/84/514395084.db2.gz AMRDZYGCHSITRG-MSOLQXFVSA-N 2 1 362.905 2.832 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000424136381 514395092 /nfs/dbraw/zinc/39/50/92/514395092.db2.gz AMRDZYGCHSITRG-MSOLQXFVSA-N 2 1 362.905 2.832 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462036907 514844228 /nfs/dbraw/zinc/84/42/28/514844228.db2.gz HUVUYDHMNZZKFY-FXAWDEMLSA-N 2 1 356.514 2.536 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196843 515241436 /nfs/dbraw/zinc/24/14/36/515241436.db2.gz XZORPVVPTITEGZ-HBGVWJBISA-N 2 1 362.477 2.585 20 30 FFEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000459734404 515778027 /nfs/dbraw/zinc/77/80/27/515778027.db2.gz HBZCDXIKAWRFTC-QGZVFWFLSA-N 2 1 352.486 2.680 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362434 516379502 /nfs/dbraw/zinc/37/95/02/516379502.db2.gz APHPFZVEKVCWJP-CTNGQTDRSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362434 516379507 /nfs/dbraw/zinc/37/95/07/516379507.db2.gz APHPFZVEKVCWJP-CTNGQTDRSA-N 2 1 371.525 2.742 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517998044 516516116 /nfs/dbraw/zinc/51/61/16/516516116.db2.gz VTGBBDVKBIWLHK-FQEVSTJZSA-N 2 1 356.514 2.601 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000519222233 516928126 /nfs/dbraw/zinc/92/81/26/516928126.db2.gz WLSFEAONSKQKCG-XLIONFOSSA-N 2 1 350.551 2.873 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000542267276 517474756 /nfs/dbraw/zinc/47/47/56/517474756.db2.gz URSXXUYGJHJPKC-OALUTQOASA-N 2 1 371.525 2.843 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@@H](C)O1 ZINC000516348459 517668980 /nfs/dbraw/zinc/66/89/80/517668980.db2.gz YOWDWJBPAWVHDL-HZPDHXFCSA-N 2 1 363.527 2.710 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000564987086 518730648 /nfs/dbraw/zinc/73/06/48/518730648.db2.gz YOMZLJSEKJQLTH-IBGZPJMESA-N 2 1 374.492 2.993 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000564987086 518730654 /nfs/dbraw/zinc/73/06/54/518730654.db2.gz YOMZLJSEKJQLTH-IBGZPJMESA-N 2 1 374.492 2.993 20 30 FFEDMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000589621731 519046182 /nfs/dbraw/zinc/04/61/82/519046182.db2.gz XUZGWPLZZBGCMO-SFHVURJKSA-N 2 1 371.529 2.504 20 30 FFEDMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000589621731 519046191 /nfs/dbraw/zinc/04/61/91/519046191.db2.gz XUZGWPLZZBGCMO-SFHVURJKSA-N 2 1 371.529 2.504 20 30 FFEDMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000589621731 519046201 /nfs/dbraw/zinc/04/62/01/519046201.db2.gz XUZGWPLZZBGCMO-SFHVURJKSA-N 2 1 371.529 2.504 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000577485049 519104777 /nfs/dbraw/zinc/10/47/77/519104777.db2.gz OXTAJFQRSKTOHL-FQEVSTJZSA-N 2 1 353.466 2.539 20 30 FFEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566241581 519387535 /nfs/dbraw/zinc/38/75/35/519387535.db2.gz FPGXPODCHXAYNL-VQIMIIECSA-N 2 1 360.465 2.601 20 30 FFEDMP C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566241581 519387541 /nfs/dbraw/zinc/38/75/41/519387541.db2.gz FPGXPODCHXAYNL-VQIMIIECSA-N 2 1 360.465 2.601 20 30 FFEDMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594439736 519967032 /nfs/dbraw/zinc/96/70/32/519967032.db2.gz UYOJOPFPLFKDMJ-APWZRJJASA-N 2 1 358.486 2.757 20 30 FFEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)cs1 ZINC000600725707 520427030 /nfs/dbraw/zinc/42/70/30/520427030.db2.gz JYOBOQVRYRFGFY-KRWDZBQOSA-N 2 1 362.543 2.562 20 30 FFEDMP N#Cc1cccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)c1 ZINC000610367642 520651714 /nfs/dbraw/zinc/65/17/14/520651714.db2.gz LZKPGIIKEAIKSE-UHFFFAOYSA-N 2 1 351.454 2.916 20 30 FFEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602014875 521078667 /nfs/dbraw/zinc/07/86/67/521078667.db2.gz ILOHLZWXONLGDK-LJQANCHMSA-N 2 1 353.441 2.944 20 30 FFEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000602014875 521078674 /nfs/dbraw/zinc/07/86/74/521078674.db2.gz ILOHLZWXONLGDK-LJQANCHMSA-N 2 1 353.441 2.944 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372140 521179842 /nfs/dbraw/zinc/17/98/42/521179842.db2.gz IOBVTTFWHYLGSX-HLAWJBBLSA-N 2 1 371.525 2.558 20 30 FFEDMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(C)(C)C ZINC000602176854 521190493 /nfs/dbraw/zinc/19/04/93/521190493.db2.gz NGBSWFCNBYQBHY-UHFFFAOYSA-N 2 1 356.514 2.617 20 30 FFEDMP CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262437134 729666057 /nfs/dbraw/zinc/66/60/57/729666057.db2.gz UBKZFQVWTYOIIY-IJGVPAHLSA-N 2 1 350.551 2.760 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303900243 729735914 /nfs/dbraw/zinc/73/59/14/729735914.db2.gz SDQGBJNDRHPSDZ-KRWDZBQOSA-N 2 1 352.910 2.808 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CSc1ccccc1OC ZINC000303975272 729736111 /nfs/dbraw/zinc/73/61/11/729736111.db2.gz IZZKZAWKOVNLOQ-HZPDHXFCSA-N 2 1 364.559 2.812 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000876758113 732277524 /nfs/dbraw/zinc/27/75/24/732277524.db2.gz IOCBQPLEAWMDIH-OAHLLOKOSA-N 2 1 370.950 2.504 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000876890491 732292393 /nfs/dbraw/zinc/29/23/93/732292393.db2.gz AJKOIYSZUHVYFJ-RCCFBDPRSA-N 2 1 363.889 2.559 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=NNCCC[NH+]2CCOCC2)C1 ZINC000799488470 740422484 /nfs/dbraw/zinc/42/24/84/740422484.db2.gz SCTQSSUUFAARFV-NSHGMRRFSA-N 2 1 350.551 2.575 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNCCC[NH+]2CCOCC2)C1 ZINC000799488470 740422487 /nfs/dbraw/zinc/42/24/87/740422487.db2.gz SCTQSSUUFAARFV-NSHGMRRFSA-N 2 1 350.551 2.575 20 30 FFEDMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000809731795 741337934 /nfs/dbraw/zinc/33/79/34/741337934.db2.gz REZLXFMPXZYQMP-UHFFFAOYSA-N 2 1 357.527 2.640 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657356 971800718 /nfs/dbraw/zinc/80/07/18/971800718.db2.gz BYNDBMARFUBFRT-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001112493230 962299438 /nfs/dbraw/zinc/29/94/38/962299438.db2.gz QDEXWXVNXBYRQE-UGKGYDQZSA-N 2 1 359.558 2.883 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001087168077 964806079 /nfs/dbraw/zinc/80/60/79/964806079.db2.gz RDEGOTOSVFXIAA-OAFZBRQQSA-N 2 1 374.554 2.677 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087469004 965285482 /nfs/dbraw/zinc/28/54/82/965285482.db2.gz CWAYLCXGKRDYDI-WOJBJXKFSA-N 2 1 371.500 2.772 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087469697 965303726 /nfs/dbraw/zinc/30/37/26/965303726.db2.gz RSGFZHXCPMPEAR-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087469697 965303734 /nfs/dbraw/zinc/30/37/34/965303734.db2.gz RSGFZHXCPMPEAR-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CCCC2)cc1 ZINC001270757961 965875980 /nfs/dbraw/zinc/87/59/80/965875980.db2.gz XHLJCSHGRDGHLW-QZTJIDSGSA-N 2 1 363.465 2.604 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723020 967602629 /nfs/dbraw/zinc/60/26/29/967602629.db2.gz GIJJOYKSOGFGHA-IPMKNSEASA-N 2 1 360.498 2.990 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518415 968518735 /nfs/dbraw/zinc/51/87/35/968518735.db2.gz HZPYEIONQUNRDW-IPJJNNNSSA-N 2 1 370.541 2.938 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001024448339 968919052 /nfs/dbraw/zinc/91/90/52/968919052.db2.gz JVPAYHYRXLIDNG-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001024448339 968919059 /nfs/dbraw/zinc/91/90/59/968919059.db2.gz JVPAYHYRXLIDNG-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001024448339 968919069 /nfs/dbraw/zinc/91/90/69/968919069.db2.gz JVPAYHYRXLIDNG-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579198 969819968 /nfs/dbraw/zinc/81/99/68/969819968.db2.gz KDICKHOQLMKOFQ-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104679556 970088284 /nfs/dbraw/zinc/08/82/84/970088284.db2.gz KLGXCWAPMPGACH-XOKHGSTOSA-N 2 1 364.921 2.581 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680749 970090703 /nfs/dbraw/zinc/09/07/03/970090703.db2.gz XCVLHBLTCROZEO-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104680750 970090845 /nfs/dbraw/zinc/09/08/45/970090845.db2.gz XCVLHBLTCROZEO-NZSAHSFTSA-N 2 1 358.530 2.794 20 30 FFEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262453370 973309714 /nfs/dbraw/zinc/30/97/14/973309714.db2.gz KHPWOVGGAKCISW-UYAOXDASSA-N 2 1 364.493 2.937 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684385 975181723 /nfs/dbraw/zinc/18/17/23/975181723.db2.gz VHAHZAXWOLHQEO-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001112531678 975957462 /nfs/dbraw/zinc/95/74/62/975957462.db2.gz KYOYSAKCNNTMEV-UNMCSNQZSA-N 2 1 355.526 2.565 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723460 977444427 /nfs/dbraw/zinc/44/44/27/977444427.db2.gz WENJOKDATGHPCK-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000876834779 1014403503 /nfs/dbraw/zinc/40/35/03/1014403503.db2.gz UABSBLLWIYDESL-QGZVFWFLSA-N 2 1 374.366 2.861 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001087456157 977795423 /nfs/dbraw/zinc/79/54/23/977795423.db2.gz HAXPHPUHAAXNSB-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087456157 977795429 /nfs/dbraw/zinc/79/54/29/977795429.db2.gz HAXPHPUHAAXNSB-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087456157 977795445 /nfs/dbraw/zinc/79/54/45/977795445.db2.gz HAXPHPUHAAXNSB-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087456157 977795457 /nfs/dbraw/zinc/79/54/57/977795457.db2.gz HAXPHPUHAAXNSB-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261778247 978111528 /nfs/dbraw/zinc/11/15/28/978111528.db2.gz PWWDFSXFOADSJX-MQQUQTBTSA-N 2 1 374.573 2.905 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244381 979278350 /nfs/dbraw/zinc/27/83/50/979278350.db2.gz PZUZDUQMPWZKAM-SQGPQFPESA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244381 979278356 /nfs/dbraw/zinc/27/83/56/979278356.db2.gz PZUZDUQMPWZKAM-SQGPQFPESA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244381 979278362 /nfs/dbraw/zinc/27/83/62/979278362.db2.gz PZUZDUQMPWZKAM-SQGPQFPESA-N 2 1 351.510 2.698 20 30 FFEDMP Cc1cc(C#N)cc(C)c1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000906385845 980648321 /nfs/dbraw/zinc/64/83/21/980648321.db2.gz NPMORIVKTVTWPU-UHFFFAOYSA-N 2 1 363.465 2.503 20 30 FFEDMP COCC[N@H+]1CCC[C@H]1CNC(NCCc1ccccc1)=[NH+]C(C)(C)C ZINC000912506604 984051148 /nfs/dbraw/zinc/05/11/48/984051148.db2.gz RGBGTTGDFFFQBI-IBGZPJMESA-N 2 1 360.546 2.674 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)[C@@H]2C)CC1 ZINC001089059229 986140311 /nfs/dbraw/zinc/14/03/11/986140311.db2.gz FIYCTNSXZLHUTF-NQIIRXRSSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106354342 988000468 /nfs/dbraw/zinc/00/04/68/988000468.db2.gz VMSWGYPRDDHMSI-IAGOWNOFSA-N 2 1 362.518 2.780 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001033837999 989751208 /nfs/dbraw/zinc/75/12/08/989751208.db2.gz LUDGTCBMMXVHQP-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001033837999 989751213 /nfs/dbraw/zinc/75/12/13/989751213.db2.gz LUDGTCBMMXVHQP-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001033837999 989751219 /nfs/dbraw/zinc/75/12/19/989751219.db2.gz LUDGTCBMMXVHQP-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001033839708 989753400 /nfs/dbraw/zinc/75/34/00/989753400.db2.gz UCVMJXCFRPSPRX-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001033839708 989753412 /nfs/dbraw/zinc/75/34/12/989753412.db2.gz UCVMJXCFRPSPRX-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001033839708 989753415 /nfs/dbraw/zinc/75/34/15/989753415.db2.gz UCVMJXCFRPSPRX-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000652349602 1015534818 /nfs/dbraw/zinc/53/48/18/1015534818.db2.gz UWWOLFCHDQMISZ-UEXGIBASSA-N 2 1 359.514 2.692 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000652349602 1015534827 /nfs/dbraw/zinc/53/48/27/1015534827.db2.gz UWWOLFCHDQMISZ-UEXGIBASSA-N 2 1 359.514 2.692 20 30 FFEDMP C#CCOc1ccc([C@@H](C)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136493 990252448 /nfs/dbraw/zinc/25/24/48/990252448.db2.gz SHLQBHSHOWMKCD-XXBNENTESA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136493 990252454 /nfs/dbraw/zinc/25/24/54/990252454.db2.gz SHLQBHSHOWMKCD-XXBNENTESA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136493 990252464 /nfs/dbraw/zinc/25/24/64/990252464.db2.gz SHLQBHSHOWMKCD-XXBNENTESA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136493 990252471 /nfs/dbraw/zinc/25/24/71/990252471.db2.gz SHLQBHSHOWMKCD-XXBNENTESA-N 2 1 364.489 2.986 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000923327642 991063656 /nfs/dbraw/zinc/06/36/56/991063656.db2.gz FLNOKDWGSIWPBX-VAMGGRTRSA-N 2 1 374.525 2.627 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079161437 991866887 /nfs/dbraw/zinc/86/68/87/991866887.db2.gz PIYJFNMIAIBMHE-FFZOFVMBSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079187664 991898650 /nfs/dbraw/zinc/89/86/50/991898650.db2.gz SDCZXRIBBSBCKR-SLFFLAALSA-N 2 1 359.489 2.770 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079849187 992529812 /nfs/dbraw/zinc/52/98/12/992529812.db2.gz PJOBZWXNPPQOLF-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079849187 992529819 /nfs/dbraw/zinc/52/98/19/992529819.db2.gz PJOBZWXNPPQOLF-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079849187 992529824 /nfs/dbraw/zinc/52/98/24/992529824.db2.gz PJOBZWXNPPQOLF-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554298 993159846 /nfs/dbraw/zinc/15/98/46/993159846.db2.gz KHEZLEXEFIFUAF-LVCYWYKZSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]2C)CC1 ZINC001080997384 993547702 /nfs/dbraw/zinc/54/77/02/993547702.db2.gz BDSBWMBEOSXBJW-VUMZAAJDSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001080997579 993548164 /nfs/dbraw/zinc/54/81/64/993548164.db2.gz FUVVWDUCSZDPEZ-WIYYLYMNSA-N 2 1 357.542 2.659 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072573 998853448 /nfs/dbraw/zinc/85/34/48/998853448.db2.gz HVCMJFSACPZKEL-CBQOVEMMSA-N 2 1 355.526 2.962 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072573 998853451 /nfs/dbraw/zinc/85/34/51/998853451.db2.gz HVCMJFSACPZKEL-CBQOVEMMSA-N 2 1 355.526 2.962 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832556 999645778 /nfs/dbraw/zinc/64/57/78/999645778.db2.gz JZLOKULHRTUURN-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832556 999645779 /nfs/dbraw/zinc/64/57/79/999645779.db2.gz JZLOKULHRTUURN-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832556 999645782 /nfs/dbraw/zinc/64/57/82/999645782.db2.gz JZLOKULHRTUURN-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C#CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000743152485 999801002 /nfs/dbraw/zinc/80/10/02/999801002.db2.gz WTGZUQJJXLDYRL-IBGZPJMESA-N 2 1 372.513 2.578 20 30 FFEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619363 1000032499 /nfs/dbraw/zinc/03/24/99/1000032499.db2.gz KBBYJVOCGVPBSV-UHFFFAOYSA-N 2 1 364.493 2.750 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619363 1000032500 /nfs/dbraw/zinc/03/25/00/1000032500.db2.gz KBBYJVOCGVPBSV-UHFFFAOYSA-N 2 1 364.493 2.750 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689768 1001084646 /nfs/dbraw/zinc/08/46/46/1001084646.db2.gz DMRXBFRSNZUCKG-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689768 1001084652 /nfs/dbraw/zinc/08/46/52/1001084652.db2.gz DMRXBFRSNZUCKG-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689768 1001084655 /nfs/dbraw/zinc/08/46/55/1001084655.db2.gz DMRXBFRSNZUCKG-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689768 1001084658 /nfs/dbraw/zinc/08/46/58/1001084658.db2.gz DMRXBFRSNZUCKG-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001109928050 1001163109 /nfs/dbraw/zinc/16/31/09/1001163109.db2.gz DUMMRGJFNVFSKP-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001109928050 1001163114 /nfs/dbraw/zinc/16/31/14/1001163114.db2.gz DUMMRGJFNVFSKP-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109928050 1001163120 /nfs/dbraw/zinc/16/31/20/1001163120.db2.gz DUMMRGJFNVFSKP-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109928050 1001163124 /nfs/dbraw/zinc/16/31/24/1001163124.db2.gz DUMMRGJFNVFSKP-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001109932799 1001168008 /nfs/dbraw/zinc/16/80/08/1001168008.db2.gz UAWRCVHVTJJLDJ-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001109932799 1001168013 /nfs/dbraw/zinc/16/80/13/1001168013.db2.gz UAWRCVHVTJJLDJ-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109932799 1001168016 /nfs/dbraw/zinc/16/80/16/1001168016.db2.gz UAWRCVHVTJJLDJ-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109932799 1001168021 /nfs/dbraw/zinc/16/80/21/1001168021.db2.gz UAWRCVHVTJJLDJ-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3ccccc3C#N)CCCCC2)CC[N@H+]1C ZINC001276199769 1016526611 /nfs/dbraw/zinc/52/66/11/1016526611.db2.gz GJZCERYOHMRLHO-YLJYHZDGSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013315 1002286012 /nfs/dbraw/zinc/28/60/12/1002286012.db2.gz MYIXMQROHFUKDD-LSTHTHJFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013315 1002286020 /nfs/dbraw/zinc/28/60/20/1002286020.db2.gz MYIXMQROHFUKDD-LSTHTHJFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013315 1002286023 /nfs/dbraw/zinc/28/60/23/1002286023.db2.gz MYIXMQROHFUKDD-LSTHTHJFSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015798 1002292370 /nfs/dbraw/zinc/29/23/70/1002292370.db2.gz WILWCXOJFNJWBT-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015798 1002292383 /nfs/dbraw/zinc/29/23/83/1002292383.db2.gz WILWCXOJFNJWBT-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086591765 1002533813 /nfs/dbraw/zinc/53/38/13/1002533813.db2.gz DZSYTFOQOZIVLN-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086591765 1002533820 /nfs/dbraw/zinc/53/38/20/1002533820.db2.gz DZSYTFOQOZIVLN-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086591765 1002533826 /nfs/dbraw/zinc/53/38/26/1002533826.db2.gz DZSYTFOQOZIVLN-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086608854 1003166923 /nfs/dbraw/zinc/16/69/23/1003166923.db2.gz DFGLRVPUQXMIJR-HLAWJBBLSA-N 2 1 364.493 2.524 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086608854 1003166930 /nfs/dbraw/zinc/16/69/30/1003166930.db2.gz DFGLRVPUQXMIJR-HLAWJBBLSA-N 2 1 364.493 2.524 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604838 1003215418 /nfs/dbraw/zinc/21/54/18/1003215418.db2.gz PPSDLXDVLCCANG-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604838 1003215427 /nfs/dbraw/zinc/21/54/27/1003215427.db2.gz PPSDLXDVLCCANG-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604838 1003215437 /nfs/dbraw/zinc/21/54/37/1003215437.db2.gz PPSDLXDVLCCANG-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001086612440 1003308766 /nfs/dbraw/zinc/30/87/66/1003308766.db2.gz QSRCSKAZVPQKBV-RBUKOAKNSA-N 2 1 352.482 2.777 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001086612440 1003308775 /nfs/dbraw/zinc/30/87/75/1003308775.db2.gz QSRCSKAZVPQKBV-RBUKOAKNSA-N 2 1 352.482 2.777 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001092689622 1003492326 /nfs/dbraw/zinc/49/23/26/1003492326.db2.gz OOQBBFHLELMKSN-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001092689622 1003492331 /nfs/dbraw/zinc/49/23/31/1003492331.db2.gz OOQBBFHLELMKSN-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001092689622 1003492336 /nfs/dbraw/zinc/49/23/36/1003492336.db2.gz OOQBBFHLELMKSN-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001092689622 1003492341 /nfs/dbraw/zinc/49/23/41/1003492341.db2.gz OOQBBFHLELMKSN-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199128026 1004837222 /nfs/dbraw/zinc/83/72/22/1004837222.db2.gz MGKSMQQUPUJTOW-VAMGGRTRSA-N 2 1 367.578 2.629 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194996374 1004867247 /nfs/dbraw/zinc/86/72/47/1004867247.db2.gz AYWISLVJQLRLCJ-WOJBJXKFSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996374 1004867252 /nfs/dbraw/zinc/86/72/52/1004867252.db2.gz AYWISLVJQLRLCJ-WOJBJXKFSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996374 1004867262 /nfs/dbraw/zinc/86/72/62/1004867262.db2.gz AYWISLVJQLRLCJ-WOJBJXKFSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001488773567 1005368245 /nfs/dbraw/zinc/36/82/45/1005368245.db2.gz QHPNZKLTHOVRGR-PMXSJFBMSA-N 2 1 355.526 2.782 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001097105409 1017044132 /nfs/dbraw/zinc/04/41/32/1017044132.db2.gz CUFPTMZAHWSBJB-RJEZFDHBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001097105409 1017044143 /nfs/dbraw/zinc/04/41/43/1017044143.db2.gz CUFPTMZAHWSBJB-RJEZFDHBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001097105409 1017044152 /nfs/dbraw/zinc/04/41/52/1017044152.db2.gz CUFPTMZAHWSBJB-RJEZFDHBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001097105409 1017044160 /nfs/dbraw/zinc/04/41/60/1017044160.db2.gz CUFPTMZAHWSBJB-RJEZFDHBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000853686237 1006504089 /nfs/dbraw/zinc/50/40/89/1006504089.db2.gz WYJWNWAPFADOPI-HNNXBMFYSA-N 2 1 370.375 2.685 20 30 FFEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000853686237 1006504101 /nfs/dbraw/zinc/50/41/01/1006504101.db2.gz WYJWNWAPFADOPI-HNNXBMFYSA-N 2 1 370.375 2.685 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543250 1007137355 /nfs/dbraw/zinc/13/73/55/1007137355.db2.gz BRIBIIIVDMLUMR-FUHIMQAGSA-N 2 1 365.481 2.768 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543250 1007137360 /nfs/dbraw/zinc/13/73/60/1007137360.db2.gz BRIBIIIVDMLUMR-FUHIMQAGSA-N 2 1 365.481 2.768 20 30 FFEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001190230427 1007515814 /nfs/dbraw/zinc/51/58/14/1007515814.db2.gz YGMBOHPOFUNJSD-GUDVDZBRSA-N 2 1 356.514 2.653 20 30 FFEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975733 1008015738 /nfs/dbraw/zinc/01/57/38/1008015738.db2.gz LWNCSAHNXNZZET-JTSKRJEESA-N 2 1 365.477 2.602 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975733 1008015747 /nfs/dbraw/zinc/01/57/47/1008015747.db2.gz LWNCSAHNXNZZET-JTSKRJEESA-N 2 1 365.477 2.602 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750377 1008383604 /nfs/dbraw/zinc/38/36/04/1008383604.db2.gz IWSGWNXWPQQTNC-QRVBRYPASA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750377 1008383607 /nfs/dbraw/zinc/38/36/07/1008383607.db2.gz IWSGWNXWPQQTNC-QRVBRYPASA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750377 1008383608 /nfs/dbraw/zinc/38/36/08/1008383608.db2.gz IWSGWNXWPQQTNC-QRVBRYPASA-N 2 1 363.546 2.564 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(C)cc2)n1 ZINC000104190944 1009935268 /nfs/dbraw/zinc/93/52/68/1009935268.db2.gz QYZYJYCMSHKONI-SFHVURJKSA-N 2 1 355.486 2.581 20 30 FFEDMP CCN1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172039098 1011600802 /nfs/dbraw/zinc/60/08/02/1011600802.db2.gz PAAYYGZUYBOCAY-VAMGGRTRSA-N 2 1 354.498 2.641 20 30 FFEDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172970618 1012139351 /nfs/dbraw/zinc/13/93/51/1012139351.db2.gz IBPFCEIMWOGPRX-ULQDDVLXSA-N 2 1 350.507 2.600 20 30 FFEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CCCCC3)cc2)CC1 ZINC000303886234 1012501796 /nfs/dbraw/zinc/50/17/96/1012501796.db2.gz KEJCQUWKXABDMI-UHFFFAOYSA-N 2 1 357.546 2.561 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCc2ccccn2)c1 ZINC000303904011 1012513497 /nfs/dbraw/zinc/51/34/97/1012513497.db2.gz UQFQJKQKKOUHIK-IBGZPJMESA-N 2 1 367.497 2.549 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000304753098 1012863499 /nfs/dbraw/zinc/86/34/99/1012863499.db2.gz KWUDFUUVALMFEU-HNNXBMFYSA-N 2 1 356.470 2.951 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000304753098 1012863514 /nfs/dbraw/zinc/86/35/14/1012863514.db2.gz KWUDFUUVALMFEU-HNNXBMFYSA-N 2 1 356.470 2.951 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304756340 1012863812 /nfs/dbraw/zinc/86/38/12/1012863812.db2.gz NPYOHYZDRQMYMA-NRFANRHFSA-N 3 1 371.573 2.951 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097177711 1017151476 /nfs/dbraw/zinc/15/14/76/1017151476.db2.gz YZYLHLIURBVSKS-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001097177711 1017151485 /nfs/dbraw/zinc/15/14/85/1017151485.db2.gz YZYLHLIURBVSKS-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001097177711 1017151489 /nfs/dbraw/zinc/15/14/89/1017151489.db2.gz YZYLHLIURBVSKS-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001097177711 1017151500 /nfs/dbraw/zinc/15/15/00/1017151500.db2.gz YZYLHLIURBVSKS-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507569 1017551115 /nfs/dbraw/zinc/55/11/15/1017551115.db2.gz DQDMCVQBKIQMJR-QRQLOZEOSA-N 2 1 351.454 2.569 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901156361 1018774895 /nfs/dbraw/zinc/77/48/95/1018774895.db2.gz WQKOZEQHTSVQOP-IBGZPJMESA-N 2 1 367.497 2.777 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2=CCCCC2)CC1 ZINC001098462973 1020931110 /nfs/dbraw/zinc/93/11/10/1020931110.db2.gz XDTJFKPMYNLSCR-VSKRKVRLSA-N 2 1 369.553 2.944 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547652 1021029052 /nfs/dbraw/zinc/02/90/52/1021029052.db2.gz LTLNAMZXLVBUBK-UHFFFAOYSA-N 2 1 368.525 2.836 20 30 FFEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837446 1021217838 /nfs/dbraw/zinc/21/78/38/1021217838.db2.gz QFUXHEXVDAQSNQ-IPJJNNNSSA-N 2 1 357.542 2.635 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837446 1021217850 /nfs/dbraw/zinc/21/78/50/1021217850.db2.gz QFUXHEXVDAQSNQ-IPJJNNNSSA-N 2 1 357.542 2.635 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837446 1021217861 /nfs/dbraw/zinc/21/78/61/1021217861.db2.gz QFUXHEXVDAQSNQ-IPJJNNNSSA-N 2 1 357.542 2.635 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188916 1022314252 /nfs/dbraw/zinc/31/42/52/1022314252.db2.gz KTVOHTNNHPISPR-OBZTUIKSSA-N 2 1 365.481 2.957 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188916 1022314267 /nfs/dbraw/zinc/31/42/67/1022314267.db2.gz KTVOHTNNHPISPR-OBZTUIKSSA-N 2 1 365.481 2.957 20 30 FFEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001111233685 1022522839 /nfs/dbraw/zinc/52/28/39/1022522839.db2.gz UAWRCVHVTJJLDJ-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001111233685 1022522844 /nfs/dbraw/zinc/52/28/44/1022522844.db2.gz UAWRCVHVTJJLDJ-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001111233685 1022522851 /nfs/dbraw/zinc/52/28/51/1022522851.db2.gz UAWRCVHVTJJLDJ-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001111233685 1022522859 /nfs/dbraw/zinc/52/28/59/1022522859.db2.gz UAWRCVHVTJJLDJ-AQNXPRMDSA-N 2 1 373.928 2.755 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111298509 1023673027 /nfs/dbraw/zinc/67/30/27/1023673027.db2.gz AWDWVSNDFVLZBO-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001111298509 1023673030 /nfs/dbraw/zinc/67/30/30/1023673030.db2.gz AWDWVSNDFVLZBO-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001101439845 1024746941 /nfs/dbraw/zinc/74/69/41/1024746941.db2.gz BUAKGIATAIUMEF-GGAORHGYSA-N 2 1 367.537 2.550 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001101439845 1024746951 /nfs/dbraw/zinc/74/69/51/1024746951.db2.gz BUAKGIATAIUMEF-GGAORHGYSA-N 2 1 367.537 2.550 20 30 FFEDMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](C)C ZINC001103140014 1026995806 /nfs/dbraw/zinc/99/58/06/1026995806.db2.gz IYASNRLIBVZGGG-IIDMSEBBSA-N 2 1 362.543 2.534 20 30 FFEDMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817179 1027009026 /nfs/dbraw/zinc/00/90/26/1027009026.db2.gz KCNSWIKWNOIIRW-UIFIKXQLSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001103456636 1027517787 /nfs/dbraw/zinc/51/77/87/1027517787.db2.gz ALIIJMFVMGVBCB-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001103456636 1027517798 /nfs/dbraw/zinc/51/77/98/1027517798.db2.gz ALIIJMFVMGVBCB-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001103456636 1027517806 /nfs/dbraw/zinc/51/78/06/1027517806.db2.gz ALIIJMFVMGVBCB-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655123 1027898369 /nfs/dbraw/zinc/89/83/69/1027898369.db2.gz QHGPLQBPFAPMMM-UYAOXDASSA-N 2 1 370.541 2.864 20 30 FFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001160903743 1027919855 /nfs/dbraw/zinc/91/98/55/1027919855.db2.gz ASVCEKIPNDAFFA-SFTDATJTSA-N 2 1 373.541 2.982 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001103751667 1028135521 /nfs/dbraw/zinc/13/55/21/1028135521.db2.gz LTBZVNWVJHIMHQ-RTVDBWQISA-N 2 1 359.558 2.762 20 30 FFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104195897 1028653794 /nfs/dbraw/zinc/65/37/94/1028653794.db2.gz AHVMPFUCHANACJ-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C(F)(F)F ZINC001112179633 1030160220 /nfs/dbraw/zinc/16/02/20/1030160220.db2.gz AKUINHBLVHRFBW-HZPDHXFCSA-N 2 1 361.452 2.501 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001205436977 1031745649 /nfs/dbraw/zinc/74/56/49/1031745649.db2.gz UUALKUSDBRZJCD-RBUKOAKNSA-N 2 1 361.505 2.874 20 30 FFEDMP c1ccc(C[N@H+]2C[C@@H]3CCCC(=NNCCC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000799488625 1031783208 /nfs/dbraw/zinc/78/32/08/1031783208.db2.gz HHDIUNYVFDKYCQ-LEWJYISDSA-N 2 1 370.541 2.586 20 30 FFEDMP c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNCCC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000799488625 1031783218 /nfs/dbraw/zinc/78/32/18/1031783218.db2.gz HHDIUNYVFDKYCQ-LEWJYISDSA-N 2 1 370.541 2.586 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219066965 1033504349 /nfs/dbraw/zinc/50/43/49/1033504349.db2.gz CTGGYOPDPXVROR-HSALFYBXSA-N 2 1 363.546 2.519 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1 ZINC001138559886 1034412675 /nfs/dbraw/zinc/41/26/75/1034412675.db2.gz UZAQVNVFAMIDNU-GMAHTHKFSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1 ZINC001138559886 1034412682 /nfs/dbraw/zinc/41/26/82/1034412682.db2.gz UZAQVNVFAMIDNU-GMAHTHKFSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1 ZINC001138559886 1034412683 /nfs/dbraw/zinc/41/26/83/1034412683.db2.gz UZAQVNVFAMIDNU-GMAHTHKFSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1 ZINC001138559886 1034412689 /nfs/dbraw/zinc/41/26/89/1034412689.db2.gz UZAQVNVFAMIDNU-GMAHTHKFSA-N 2 1 368.521 2.879 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001226323161 1034629607 /nfs/dbraw/zinc/62/96/07/1034629607.db2.gz HUZUIVMSYTWDNH-QYRPDUKASA-N 2 1 371.500 2.534 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cn1 ZINC001139769391 1035225938 /nfs/dbraw/zinc/22/59/38/1035225938.db2.gz BNQZACJYEAZPKR-UHFFFAOYSA-N 2 1 356.470 2.529 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cn1 ZINC001139769391 1035225942 /nfs/dbraw/zinc/22/59/42/1035225942.db2.gz BNQZACJYEAZPKR-UHFFFAOYSA-N 2 1 356.470 2.529 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001229503360 1036709376 /nfs/dbraw/zinc/70/93/76/1036709376.db2.gz HSRHOZMNUXZSMH-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP C#CCN1CC[C@]2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3Cl)C2)C1=O ZINC001277905228 1037229993 /nfs/dbraw/zinc/22/99/93/1037229993.db2.gz KKLLZCGFRVLOFM-FQEVSTJZSA-N 2 1 368.868 2.583 20 30 FFEDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1CC#N)C2 ZINC001235514885 1037600989 /nfs/dbraw/zinc/60/09/89/1037600989.db2.gz RZAMCZUWRBJDCH-VXKWHMMOSA-N 2 1 353.510 2.933 20 30 FFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1CC#N)C2 ZINC001235514885 1037600994 /nfs/dbraw/zinc/60/09/94/1037600994.db2.gz RZAMCZUWRBJDCH-VXKWHMMOSA-N 2 1 353.510 2.933 20 30 FFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1CC#N)C2 ZINC001235514885 1037601001 /nfs/dbraw/zinc/60/10/01/1037601001.db2.gz RZAMCZUWRBJDCH-VXKWHMMOSA-N 2 1 353.510 2.933 20 30 FFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235514885 1037601007 /nfs/dbraw/zinc/60/10/07/1037601007.db2.gz RZAMCZUWRBJDCH-VXKWHMMOSA-N 2 1 353.510 2.933 20 30 FFEDMP C#Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c1 ZINC001231657754 1037782789 /nfs/dbraw/zinc/78/27/89/1037782789.db2.gz SPIPKGYZHHGOKF-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c1 ZINC001231657754 1037782798 /nfs/dbraw/zinc/78/27/98/1037782798.db2.gz SPIPKGYZHHGOKF-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001231657754 1037782813 /nfs/dbraw/zinc/78/28/13/1037782813.db2.gz SPIPKGYZHHGOKF-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001231657754 1037782830 /nfs/dbraw/zinc/78/28/30/1037782830.db2.gz SPIPKGYZHHGOKF-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP N#Cc1cccc(N2C[C@]3(CC[N@@H+](C4CC[NH+](C5CC5)CC4)C3)CC2=O)c1 ZINC001256079010 1038364418 /nfs/dbraw/zinc/36/44/18/1038364418.db2.gz UWABSPVUWVBLIM-JOCHJYFZSA-N 2 1 364.493 2.614 20 30 FFEDMP N#Cc1cccc(N2C[C@]3(CC[N@H+](C4CC[NH+](C5CC5)CC4)C3)CC2=O)c1 ZINC001256079010 1038364424 /nfs/dbraw/zinc/36/44/24/1038364424.db2.gz UWABSPVUWVBLIM-JOCHJYFZSA-N 2 1 364.493 2.614 20 30 FFEDMP COC(=O)[C@H]1CCC[N@H+](C2CCN(CCCc3ccc(C#N)cc3)CC2)C1 ZINC001208863681 1038561563 /nfs/dbraw/zinc/56/15/63/1038561563.db2.gz BKTFZHUOXVCZTA-FQEVSTJZSA-N 2 1 369.509 2.840 20 30 FFEDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1 ZINC001208863681 1038561569 /nfs/dbraw/zinc/56/15/69/1038561569.db2.gz BKTFZHUOXVCZTA-FQEVSTJZSA-N 2 1 369.509 2.840 20 30 FFEDMP N#Cc1ccc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001208926457 1038590994 /nfs/dbraw/zinc/59/09/94/1038590994.db2.gz HRPUDHNGZHLPEO-UHFFFAOYSA-N 2 1 363.509 2.841 20 30 FFEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C)cc3C#N)C[C@H]2CC1 ZINC001278961476 1038611837 /nfs/dbraw/zinc/61/18/37/1038611837.db2.gz WHDALSHDAVOTNO-BGYRXZFFSA-N 2 1 357.498 2.631 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C)cc3C#N)C[C@H]2CC1 ZINC001278961476 1038611842 /nfs/dbraw/zinc/61/18/42/1038611842.db2.gz WHDALSHDAVOTNO-BGYRXZFFSA-N 2 1 357.498 2.631 20 30 FFEDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C)cc3C#N)C[C@H]2CC1 ZINC001278961476 1038611847 /nfs/dbraw/zinc/61/18/47/1038611847.db2.gz WHDALSHDAVOTNO-BGYRXZFFSA-N 2 1 357.498 2.631 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001252464243 1039547340 /nfs/dbraw/zinc/54/73/40/1039547340.db2.gz WQOPHLGBWUKWDS-HXUWFJFHSA-N 2 1 374.525 2.547 20 30 FFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001252552801 1039595106 /nfs/dbraw/zinc/59/51/06/1039595106.db2.gz MLFCSYBUCFCKBB-FUHWJXTLSA-N 2 1 350.528 2.740 20 30 FFEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094924 1039943282 /nfs/dbraw/zinc/94/32/82/1039943282.db2.gz ZFGSHKHZDSPKPR-IFMALSPDSA-N 2 1 367.537 2.741 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094924 1039943296 /nfs/dbraw/zinc/94/32/96/1039943296.db2.gz ZFGSHKHZDSPKPR-IFMALSPDSA-N 2 1 367.537 2.741 20 30 FFEDMP N#Cc1ccc2c(c1)C[N@@H+](CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001254034543 1040534338 /nfs/dbraw/zinc/53/43/38/1040534338.db2.gz MCFVSXRRSRHYJC-UHFFFAOYSA-N 2 1 361.489 2.943 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593411 1040701602 /nfs/dbraw/zinc/70/16/02/1040701602.db2.gz YMOYZBJDZUQCPY-AQNXPRMDSA-N 2 1 367.578 2.915 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410628 1041773697 /nfs/dbraw/zinc/77/36/97/1041773697.db2.gz YJLXQQUSNKYPQS-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001262977494 1042003846 /nfs/dbraw/zinc/00/38/46/1042003846.db2.gz HCQWSLILZOFZLM-QRQLOZEOSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001262977494 1042003855 /nfs/dbraw/zinc/00/38/55/1042003855.db2.gz HCQWSLILZOFZLM-QRQLOZEOSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001262977494 1042003865 /nfs/dbraw/zinc/00/38/65/1042003865.db2.gz HCQWSLILZOFZLM-QRQLOZEOSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001262977494 1042003872 /nfs/dbraw/zinc/00/38/72/1042003872.db2.gz HCQWSLILZOFZLM-QRQLOZEOSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001262977493 1042004217 /nfs/dbraw/zinc/00/42/17/1042004217.db2.gz HCQWSLILZOFZLM-NEWSRXKRSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001262977493 1042004222 /nfs/dbraw/zinc/00/42/22/1042004222.db2.gz HCQWSLILZOFZLM-NEWSRXKRSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001262977493 1042004226 /nfs/dbraw/zinc/00/42/26/1042004226.db2.gz HCQWSLILZOFZLM-NEWSRXKRSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001262977493 1042004232 /nfs/dbraw/zinc/00/42/32/1042004232.db2.gz HCQWSLILZOFZLM-NEWSRXKRSA-N 2 1 370.545 2.684 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263887423 1042512061 /nfs/dbraw/zinc/51/20/61/1042512061.db2.gz VVOWRBFDCGSRQT-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263887423 1042512063 /nfs/dbraw/zinc/51/20/63/1042512063.db2.gz VVOWRBFDCGSRQT-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC001279762829 1043604540 /nfs/dbraw/zinc/60/45/40/1043604540.db2.gz WHAIWGSTHWFXJZ-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC001279762829 1043604546 /nfs/dbraw/zinc/60/45/46/1043604546.db2.gz WHAIWGSTHWFXJZ-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317545357 1045108659 /nfs/dbraw/zinc/10/86/59/1045108659.db2.gz IFZJEBYJBNJDOF-MOPGFXCFSA-N 2 1 363.933 2.913 20 30 FFEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001317545357 1045108669 /nfs/dbraw/zinc/10/86/69/1045108669.db2.gz IFZJEBYJBNJDOF-MOPGFXCFSA-N 2 1 363.933 2.913 20 30 FFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317545357 1045108677 /nfs/dbraw/zinc/10/86/77/1045108677.db2.gz IFZJEBYJBNJDOF-MOPGFXCFSA-N 2 1 363.933 2.913 20 30 FFEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317545357 1045108681 /nfs/dbraw/zinc/10/86/81/1045108681.db2.gz IFZJEBYJBNJDOF-MOPGFXCFSA-N 2 1 363.933 2.913 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001539549181 1070657537 /nfs/dbraw/zinc/65/75/37/1070657537.db2.gz WKYHZXRLHUYTDS-NRFANRHFSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001539549181 1070657543 /nfs/dbraw/zinc/65/75/43/1070657543.db2.gz WKYHZXRLHUYTDS-NRFANRHFSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001539549181 1070657546 /nfs/dbraw/zinc/65/75/46/1070657546.db2.gz WKYHZXRLHUYTDS-NRFANRHFSA-N 2 1 368.525 2.713 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001539549181 1070657552 /nfs/dbraw/zinc/65/75/52/1070657552.db2.gz WKYHZXRLHUYTDS-NRFANRHFSA-N 2 1 368.525 2.713 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582791 1070940644 /nfs/dbraw/zinc/94/06/44/1070940644.db2.gz XQHNWRPVWPWLQK-LEWJYISDSA-N 2 1 368.525 2.713 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582791 1070940651 /nfs/dbraw/zinc/94/06/51/1070940651.db2.gz XQHNWRPVWPWLQK-LEWJYISDSA-N 2 1 368.525 2.713 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC001333214911 1048762757 /nfs/dbraw/zinc/76/27/57/1048762757.db2.gz JZMJFEOPFNJPCN-LNLFQRSKSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC001333214911 1048762767 /nfs/dbraw/zinc/76/27/67/1048762767.db2.gz JZMJFEOPFNJPCN-LNLFQRSKSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC001333214911 1048762777 /nfs/dbraw/zinc/76/27/77/1048762777.db2.gz JZMJFEOPFNJPCN-LNLFQRSKSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC001333214911 1048762783 /nfs/dbraw/zinc/76/27/83/1048762783.db2.gz JZMJFEOPFNJPCN-LNLFQRSKSA-N 2 1 374.554 2.528 20 30 FFEDMP N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC001330320005 1049131290 /nfs/dbraw/zinc/13/12/90/1049131290.db2.gz TWZBWYQIEIFZQU-KOENEWCDSA-N 2 1 361.489 2.967 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001341749606 1050367144 /nfs/dbraw/zinc/36/71/44/1050367144.db2.gz IKSSFCAYDQWTIK-IAGOWNOFSA-N 2 1 371.533 2.521 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001341749606 1050367153 /nfs/dbraw/zinc/36/71/53/1050367153.db2.gz IKSSFCAYDQWTIK-IAGOWNOFSA-N 2 1 371.533 2.521 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001340491802 1050888570 /nfs/dbraw/zinc/88/85/70/1050888570.db2.gz MAALSBOPRFEBFB-UIFIKXQLSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001340491802 1050888584 /nfs/dbraw/zinc/88/85/84/1050888584.db2.gz MAALSBOPRFEBFB-UIFIKXQLSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001340491802 1050888596 /nfs/dbraw/zinc/88/85/96/1050888596.db2.gz MAALSBOPRFEBFB-UIFIKXQLSA-N 2 1 370.545 2.543 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001340491802 1050888612 /nfs/dbraw/zinc/88/86/12/1050888612.db2.gz MAALSBOPRFEBFB-UIFIKXQLSA-N 2 1 370.545 2.543 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001345994577 1052699392 /nfs/dbraw/zinc/69/93/92/1052699392.db2.gz SDMWLWXZEUMYLK-MJGOQNOKSA-N 2 1 374.577 2.830 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001336780691 1054219885 /nfs/dbraw/zinc/21/98/85/1054219885.db2.gz OGFBBTLJDOZFOD-QGZVFWFLSA-N 2 1 356.388 2.696 20 30 FFEDMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3sccc3C#N)CC2)CC1 ZINC001351592527 1054911044 /nfs/dbraw/zinc/91/10/44/1054911044.db2.gz UGZXEXQVEHWDCV-UHFFFAOYSA-N 2 1 361.515 2.644 20 30 FFEDMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3sccc3C#N)CC2)CC1 ZINC001351592527 1054911056 /nfs/dbraw/zinc/91/10/56/1054911056.db2.gz UGZXEXQVEHWDCV-UHFFFAOYSA-N 2 1 361.515 2.644 20 30 FFEDMP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001357369081 1055881259 /nfs/dbraw/zinc/88/12/59/1055881259.db2.gz UJXZFBCGVLVDGD-SFHVURJKSA-N 2 1 351.441 2.729 20 30 FFEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001353518169 1056487966 /nfs/dbraw/zinc/48/79/66/1056487966.db2.gz NJCKEWHYYNDDIJ-IBGZPJMESA-N 2 1 370.497 2.596 20 30 FFEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001500038166 1058430195 /nfs/dbraw/zinc/43/01/95/1058430195.db2.gz WEERHDKEHOFCCU-DYESRHJHSA-N 2 1 371.500 2.592 20 30 FFEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001500059835 1058433865 /nfs/dbraw/zinc/43/38/65/1058433865.db2.gz ITTIJQGMDCUEEL-YHYVQYDKSA-N 2 1 363.505 2.950 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001477561227 1061738894 /nfs/dbraw/zinc/73/88/94/1061738894.db2.gz QSCFKUMEUPOEIB-OAQYLSRUSA-N 2 1 370.541 2.714 20 30 FFEDMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001479598186 1062614834 /nfs/dbraw/zinc/61/48/34/1062614834.db2.gz YJIYMRJQTKWCEL-SLYNCCJLSA-N 2 1 370.541 2.774 20 30 FFEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001480765196 1063066882 /nfs/dbraw/zinc/06/68/82/1063066882.db2.gz AWNCSCHAZFPFCM-LZLYRXPVSA-N 2 1 361.917 2.516 20 30 FFEDMP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035940 1078735898 /nfs/dbraw/zinc/73/58/98/1078735898.db2.gz JQYDFDWVCUPCIV-UXHICEINSA-N 2 1 350.466 2.961 20 30 FFEDMP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035940 1078735906 /nfs/dbraw/zinc/73/59/06/1078735906.db2.gz JQYDFDWVCUPCIV-UXHICEINSA-N 2 1 350.466 2.961 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCSCC#N)CC2)CC1 ZINC000371156961 512246734 /nfs/dbraw/zinc/24/67/34/512246734.db2.gz MEZCMMLTPIKJQU-UHFFFAOYSA-N 2 1 352.592 2.761 20 30 FFEDMP C[N@H+](CCCSCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371156961 512246741 /nfs/dbraw/zinc/24/67/41/512246741.db2.gz MEZCMMLTPIKJQU-UHFFFAOYSA-N 3 1 352.592 2.761 20 30 FFEDMP C[N@@H+](CCCSCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371156961 512246745 /nfs/dbraw/zinc/24/67/45/512246745.db2.gz MEZCMMLTPIKJQU-UHFFFAOYSA-N 3 1 352.592 2.761 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000067360708 506842997 /nfs/dbraw/zinc/84/29/97/506842997.db2.gz YSRNBESCDIAZQS-NRFANRHFSA-N 2 1 353.510 2.503 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093142583 508124226 /nfs/dbraw/zinc/12/42/26/508124226.db2.gz BLRQHHWDMIYGLP-UHFFFAOYSA-N 2 1 371.525 2.628 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(OC)c1 ZINC000123190141 508649127 /nfs/dbraw/zinc/64/91/27/508649127.db2.gz QGLRTPNVLFGKRN-UHOSZYNNSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123190141 508649131 /nfs/dbraw/zinc/64/91/31/508649131.db2.gz QGLRTPNVLFGKRN-UHOSZYNNSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123190141 508649136 /nfs/dbraw/zinc/64/91/36/508649136.db2.gz QGLRTPNVLFGKRN-UHOSZYNNSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000123190141 508649140 /nfs/dbraw/zinc/64/91/40/508649140.db2.gz QGLRTPNVLFGKRN-UHOSZYNNSA-N 2 1 362.514 2.578 20 30 FFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000140050121 508799251 /nfs/dbraw/zinc/79/92/51/508799251.db2.gz NRYJTLZIRVKBAZ-YJBOKZPZSA-N 2 1 360.889 2.956 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000140050121 508799254 /nfs/dbraw/zinc/79/92/54/508799254.db2.gz NRYJTLZIRVKBAZ-YJBOKZPZSA-N 2 1 360.889 2.956 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000140050121 508799257 /nfs/dbraw/zinc/79/92/57/508799257.db2.gz NRYJTLZIRVKBAZ-YJBOKZPZSA-N 2 1 360.889 2.956 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371471516 512422831 /nfs/dbraw/zinc/42/28/31/512422831.db2.gz VBPMWSLVSADAEH-QWFCFKBJSA-N 2 1 360.498 2.944 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371471516 512422836 /nfs/dbraw/zinc/42/28/36/512422836.db2.gz VBPMWSLVSADAEH-QWFCFKBJSA-N 2 1 360.498 2.944 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)CC1 ZINC000185665576 509295036 /nfs/dbraw/zinc/29/50/36/509295036.db2.gz GZSMTJASPJDGSV-OAQYLSRUSA-N 2 1 370.541 2.943 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000264056236 509308090 /nfs/dbraw/zinc/30/80/90/509308090.db2.gz BAUZGZIOBPBXAH-HNNXBMFYSA-N 2 1 358.442 2.861 20 30 FFEDMP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000185824863 509373443 /nfs/dbraw/zinc/37/34/43/509373443.db2.gz QDHPXDNABPLHJX-FFZOFVMBSA-N 2 1 354.498 2.556 20 30 FFEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249744062 509751602 /nfs/dbraw/zinc/75/16/02/509751602.db2.gz BAHJLUZPNQEKMA-IAGOWNOFSA-N 2 1 372.513 2.551 20 30 FFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173882447 509832514 /nfs/dbraw/zinc/83/25/14/509832514.db2.gz OEZIUOKIBKFTLS-CTNGQTDRSA-N 2 1 358.526 2.963 20 30 FFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173882447 509832517 /nfs/dbraw/zinc/83/25/17/509832517.db2.gz OEZIUOKIBKFTLS-CTNGQTDRSA-N 2 1 358.526 2.963 20 30 FFEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957229 510127974 /nfs/dbraw/zinc/12/79/74/510127974.db2.gz JCVHJEGHELHXTL-SJLPKXTDSA-N 2 1 356.514 2.940 20 30 FFEDMP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000180995943 510228620 /nfs/dbraw/zinc/22/86/20/510228620.db2.gz BKFNKJIVIBHACB-JOCHJYFZSA-N 2 1 364.489 2.945 20 30 FFEDMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277284169 510958552 /nfs/dbraw/zinc/95/85/52/510958552.db2.gz KDILGYMCGAAZME-AWEZNQCLSA-N 2 1 372.435 2.611 20 30 FFEDMP C[NH+]1CCN(c2cc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)ccn2)CC1 ZINC000330293193 510959475 /nfs/dbraw/zinc/95/94/75/510959475.db2.gz HPLHKPCLXXHAFN-GOSISDBHSA-N 2 1 359.518 2.554 20 30 FFEDMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCSC1 ZINC000329059750 511975847 /nfs/dbraw/zinc/97/58/47/511975847.db2.gz NFIWSMLKLMRCCG-KRWDZBQOSA-N 2 1 363.527 2.669 20 30 FFEDMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCSC1 ZINC000329059750 511975854 /nfs/dbraw/zinc/97/58/54/511975854.db2.gz NFIWSMLKLMRCCG-KRWDZBQOSA-N 2 1 363.527 2.669 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371596697 512485301 /nfs/dbraw/zinc/48/53/01/512485301.db2.gz JKGYRAJLUCGDJK-FQEVSTJZSA-N 2 1 370.541 2.848 20 30 FFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689990 513394326 /nfs/dbraw/zinc/39/43/26/513394326.db2.gz DOTCKGLEWLCYQQ-QGZVFWFLSA-N 2 1 356.514 2.988 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1C#N ZINC000440805839 513409620 /nfs/dbraw/zinc/40/96/20/513409620.db2.gz KCCSPRQROREUOH-UHFFFAOYSA-N 2 1 364.493 2.604 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000482637110 515746668 /nfs/dbraw/zinc/74/66/68/515746668.db2.gz XFJYEJKGAZNBQR-HNNXBMFYSA-N 2 1 351.516 2.749 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000542539492 517620180 /nfs/dbraw/zinc/62/01/80/517620180.db2.gz SDFKBDHORYSDSP-UHFFFAOYSA-N 2 1 355.829 2.611 20 30 FFEDMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000546766118 517846065 /nfs/dbraw/zinc/84/60/65/517846065.db2.gz QMYDBZPJVIEROM-QGZVFWFLSA-N 2 1 353.445 2.917 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000539147518 517934084 /nfs/dbraw/zinc/93/40/84/517934084.db2.gz KNFMJTZPJFUTHY-HDICACEKSA-N 2 1 357.498 2.648 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000539147518 517934097 /nfs/dbraw/zinc/93/40/97/517934097.db2.gz KNFMJTZPJFUTHY-HDICACEKSA-N 2 1 357.498 2.648 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000564844488 518646660 /nfs/dbraw/zinc/64/66/60/518646660.db2.gz MQQPBAHXGBPZBB-LJQANCHMSA-N 2 1 352.906 2.848 20 30 FFEDMP N#Cc1ccc(NC(=O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000571689846 519223172 /nfs/dbraw/zinc/22/31/72/519223172.db2.gz UJBHUJCPLSQFLU-LEWJYISDSA-N 2 1 374.488 2.951 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000583688477 519382231 /nfs/dbraw/zinc/38/22/31/519382231.db2.gz KWULHARMUUBRML-KRWDZBQOSA-N 2 1 363.527 2.576 20 30 FFEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000600727974 520429419 /nfs/dbraw/zinc/42/94/19/520429419.db2.gz MCMRDXNXTYULNT-NRSPTQNISA-N 2 1 371.525 2.700 20 30 FFEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000600727974 520429427 /nfs/dbraw/zinc/42/94/27/520429427.db2.gz MCMRDXNXTYULNT-NRSPTQNISA-N 2 1 371.525 2.700 20 30 FFEDMP CN(c1ncc(C#N)c2ccsc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601116632 520643720 /nfs/dbraw/zinc/64/37/20/520643720.db2.gz VPISFAODQVCDRB-MRXNPFEDSA-N 2 1 355.511 2.773 20 30 FFEDMP CN(c1ncc(C#N)c2ccsc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601116632 520643730 /nfs/dbraw/zinc/64/37/30/520643730.db2.gz VPISFAODQVCDRB-MRXNPFEDSA-N 2 1 355.511 2.773 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000598699171 520794185 /nfs/dbraw/zinc/79/41/85/520794185.db2.gz CDXJWDDVUGLMQR-QKLQHJQFSA-N 2 1 359.514 2.686 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599266997 521118814 /nfs/dbraw/zinc/11/88/14/521118814.db2.gz XCLUZZZJALTLCC-LJQANCHMSA-N 2 1 351.535 2.502 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365504 521175988 /nfs/dbraw/zinc/17/59/88/521175988.db2.gz DOTVTUJEICLZQW-JBACZVJFSA-N 2 1 371.525 2.558 20 30 FFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000602514692 521388701 /nfs/dbraw/zinc/38/87/01/521388701.db2.gz LLUJKFOZMYOBSV-LJQANCHMSA-N 2 1 370.541 2.623 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000262836818 729672483 /nfs/dbraw/zinc/67/24/83/729672483.db2.gz SQQXDRWTYXJVEA-HRCADAONSA-N 2 1 365.319 2.694 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NCC1CCC1 ZINC000303888282 729735467 /nfs/dbraw/zinc/73/54/67/729735467.db2.gz OVDRSLSKCWKMJK-UHFFFAOYSA-N 2 1 363.937 2.557 20 30 FFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCCC1 ZINC000303907883 729735776 /nfs/dbraw/zinc/73/57/76/729735776.db2.gz XEVMWHFCIJFLFF-QGZVFWFLSA-N 2 1 362.543 2.586 20 30 FFEDMP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303905125 729735844 /nfs/dbraw/zinc/73/58/44/729735844.db2.gz ZFDBSPNDWDPBMR-UHFFFAOYSA-N 2 1 351.926 2.555 20 30 FFEDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902720869 735985624 /nfs/dbraw/zinc/98/56/24/735985624.db2.gz ORAKYIHSBWHITR-MAUKXSAKSA-N 2 1 355.511 2.654 20 30 FFEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820087391 742462019 /nfs/dbraw/zinc/46/20/19/742462019.db2.gz VACUATAFGSVGAN-MAUKXSAKSA-N 2 1 364.921 2.586 20 30 FFEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820087391 742462023 /nfs/dbraw/zinc/46/20/23/742462023.db2.gz VACUATAFGSVGAN-MAUKXSAKSA-N 2 1 364.921 2.586 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054133884 745003617 /nfs/dbraw/zinc/00/36/17/745003617.db2.gz PBGZVACXPPMELB-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133884 745003622 /nfs/dbraw/zinc/00/36/22/745003622.db2.gz PBGZVACXPPMELB-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133884 745003628 /nfs/dbraw/zinc/00/36/28/745003628.db2.gz PBGZVACXPPMELB-YQVWRLOYSA-N 2 1 353.938 2.784 20 30 FFEDMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267806173 971339562 /nfs/dbraw/zinc/33/95/62/971339562.db2.gz UXBIXEIPHCLFQD-ATZDWAIDSA-N 2 1 361.917 2.516 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993205 971737338 /nfs/dbraw/zinc/73/73/38/971737338.db2.gz FAYSVZBUJJHCKP-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993205 971737341 /nfs/dbraw/zinc/73/73/41/971737341.db2.gz FAYSVZBUJJHCKP-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993205 971737344 /nfs/dbraw/zinc/73/73/44/971737344.db2.gz FAYSVZBUJJHCKP-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993205 971737347 /nfs/dbraw/zinc/73/73/47/971737347.db2.gz FAYSVZBUJJHCKP-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993205 971737350 /nfs/dbraw/zinc/73/73/50/971737350.db2.gz FAYSVZBUJJHCKP-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000660597008 972298842 /nfs/dbraw/zinc/29/88/42/972298842.db2.gz LJKHMFFCAZNYSU-HXUWFJFHSA-N 2 1 356.514 2.601 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001095439755 1013377587 /nfs/dbraw/zinc/37/75/87/1013377587.db2.gz CUFPTMZAHWSBJB-DTBDJWGBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001095439755 1013377598 /nfs/dbraw/zinc/37/75/98/1013377598.db2.gz CUFPTMZAHWSBJB-DTBDJWGBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001095439755 1013377605 /nfs/dbraw/zinc/37/76/05/1013377605.db2.gz CUFPTMZAHWSBJB-DTBDJWGBSA-N 2 1 372.538 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001095439755 1013377614 /nfs/dbraw/zinc/37/76/14/1013377614.db2.gz CUFPTMZAHWSBJB-DTBDJWGBSA-N 2 1 372.538 2.572 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001075420041 963826899 /nfs/dbraw/zinc/82/68/99/963826899.db2.gz KWMWDGLGNGWMBQ-RLLQIKCJSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001075420041 963826913 /nfs/dbraw/zinc/82/69/13/963826913.db2.gz KWMWDGLGNGWMBQ-RLLQIKCJSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001075420041 963826922 /nfs/dbraw/zinc/82/69/22/963826922.db2.gz KWMWDGLGNGWMBQ-RLLQIKCJSA-N 2 1 359.489 2.628 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001104355341 963908258 /nfs/dbraw/zinc/90/82/58/963908258.db2.gz YBKQQRQYWRJRJQ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817828 964412607 /nfs/dbraw/zinc/41/26/07/964412607.db2.gz ICVSKASKZCNBGN-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817828 964412613 /nfs/dbraw/zinc/41/26/13/964412613.db2.gz ICVSKASKZCNBGN-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817828 964412621 /nfs/dbraw/zinc/41/26/21/964412621.db2.gz ICVSKASKZCNBGN-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)OCCCO2 ZINC000262019474 965713053 /nfs/dbraw/zinc/71/30/53/965713053.db2.gz XFBNOAFYGAKZEF-UHFFFAOYSA-N 2 1 366.465 2.633 20 30 FFEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)OCCCO2 ZINC000262019474 965713060 /nfs/dbraw/zinc/71/30/60/965713060.db2.gz XFBNOAFYGAKZEF-UHFFFAOYSA-N 2 1 366.465 2.633 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087569661 968192074 /nfs/dbraw/zinc/19/20/74/968192074.db2.gz HEGJOMHMZKKHET-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001087569661 968192078 /nfs/dbraw/zinc/19/20/78/968192078.db2.gz HEGJOMHMZKKHET-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccccc1C#N ZINC001087569661 968192081 /nfs/dbraw/zinc/19/20/81/968192081.db2.gz HEGJOMHMZKKHET-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccccc1C#N ZINC001087569661 968192085 /nfs/dbraw/zinc/19/20/85/968192085.db2.gz HEGJOMHMZKKHET-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087625904 968408315 /nfs/dbraw/zinc/40/83/15/968408315.db2.gz ZIIOGGSWVXOOHG-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087625904 968408318 /nfs/dbraw/zinc/40/83/18/968408318.db2.gz ZIIOGGSWVXOOHG-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087625904 968408325 /nfs/dbraw/zinc/40/83/25/968408325.db2.gz ZIIOGGSWVXOOHG-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087625904 968408329 /nfs/dbraw/zinc/40/83/29/968408329.db2.gz ZIIOGGSWVXOOHG-XUVXKRRUSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087725472 968763782 /nfs/dbraw/zinc/76/37/82/968763782.db2.gz QAMDFPPAMAJPSL-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001087725472 968763786 /nfs/dbraw/zinc/76/37/86/968763786.db2.gz QAMDFPPAMAJPSL-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087725472 968763790 /nfs/dbraw/zinc/76/37/90/968763790.db2.gz QAMDFPPAMAJPSL-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087725472 968763800 /nfs/dbraw/zinc/76/38/00/968763800.db2.gz QAMDFPPAMAJPSL-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167697 968989792 /nfs/dbraw/zinc/98/97/92/968989792.db2.gz ZNWXOJOSGKWNRY-HUUCEWRRSA-N 2 1 361.452 2.663 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084707 972611209 /nfs/dbraw/zinc/61/12/09/972611209.db2.gz BELWFUUOWKZFAB-QYZOEREBSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084707 972611213 /nfs/dbraw/zinc/61/12/13/972611213.db2.gz BELWFUUOWKZFAB-QYZOEREBSA-N 2 1 356.514 2.500 20 30 FFEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000985485868 974203513 /nfs/dbraw/zinc/20/35/13/974203513.db2.gz VJBSFLFRWJPHAZ-RTBURBONSA-N 2 1 363.465 2.508 20 30 FFEDMP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000985485868 974203519 /nfs/dbraw/zinc/20/35/19/974203519.db2.gz VJBSFLFRWJPHAZ-RTBURBONSA-N 2 1 363.465 2.508 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000662087988 975169872 /nfs/dbraw/zinc/16/98/72/975169872.db2.gz RYEOKZHGQDKGOR-WLRLJWMZSA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662087988 975169877 /nfs/dbraw/zinc/16/98/77/975169877.db2.gz RYEOKZHGQDKGOR-WLRLJWMZSA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662087988 975169879 /nfs/dbraw/zinc/16/98/79/975169879.db2.gz RYEOKZHGQDKGOR-WLRLJWMZSA-N 2 1 353.510 2.949 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1c1ccccc1 ZINC001211690940 975383628 /nfs/dbraw/zinc/38/36/28/975383628.db2.gz QCLVOQTWXHAVMY-LEWJYISDSA-N 2 1 355.526 2.716 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001087429171 975748095 /nfs/dbraw/zinc/74/80/95/975748095.db2.gz WHVQCUNSQGGLDU-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001087429171 975748103 /nfs/dbraw/zinc/74/81/03/975748103.db2.gz WHVQCUNSQGGLDU-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001087429171 975748110 /nfs/dbraw/zinc/74/81/10/975748110.db2.gz WHVQCUNSQGGLDU-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001087429171 975748114 /nfs/dbraw/zinc/74/81/14/975748114.db2.gz WHVQCUNSQGGLDU-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087437187 977061026 /nfs/dbraw/zinc/06/10/26/977061026.db2.gz FDOQNEVAZVDHCT-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087437187 977061034 /nfs/dbraw/zinc/06/10/34/977061034.db2.gz FDOQNEVAZVDHCT-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087437187 977061045 /nfs/dbraw/zinc/06/10/45/977061045.db2.gz FDOQNEVAZVDHCT-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261606034 977354665 /nfs/dbraw/zinc/35/46/65/977354665.db2.gz DKMJJPHZFXDIJF-ISARSNTHSA-N 2 1 372.513 2.539 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)CC[C@@H]2c2ccccc2)CC1 ZINC001087444085 977596708 /nfs/dbraw/zinc/59/67/08/977596708.db2.gz WSLWKPFGAIMLRG-FGZHOGPDSA-N 2 1 367.537 2.716 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087464926 978312094 /nfs/dbraw/zinc/31/20/94/978312094.db2.gz MGLRCXUVUVPQCD-HUYLIWGRSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087464926 978312096 /nfs/dbraw/zinc/31/20/96/978312096.db2.gz MGLRCXUVUVPQCD-HUYLIWGRSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087464926 978312103 /nfs/dbraw/zinc/31/21/03/978312103.db2.gz MGLRCXUVUVPQCD-HUYLIWGRSA-N 2 1 359.489 2.626 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001076605484 979708985 /nfs/dbraw/zinc/70/89/85/979708985.db2.gz CEHCXWBCTWUJRP-YUXAGFNASA-N 2 1 365.521 2.626 20 30 FFEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042165 1014761996 /nfs/dbraw/zinc/76/19/96/1014761996.db2.gz JQOWNOSIKSCESR-BDTNDASRSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042165 1014762006 /nfs/dbraw/zinc/76/20/06/1014762006.db2.gz JQOWNOSIKSCESR-BDTNDASRSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042165 1014762016 /nfs/dbraw/zinc/76/20/16/1014762016.db2.gz JQOWNOSIKSCESR-BDTNDASRSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088630961 982044985 /nfs/dbraw/zinc/04/49/85/982044985.db2.gz JXOKTWPVXPHESK-MNEFBYGVSA-N 2 1 359.901 2.517 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088630961 982044990 /nfs/dbraw/zinc/04/49/90/982044990.db2.gz JXOKTWPVXPHESK-MNEFBYGVSA-N 2 1 359.901 2.517 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107554074 984684204 /nfs/dbraw/zinc/68/42/04/984684204.db2.gz XTXKRHACVFLJPX-FYYLOGMGSA-N 2 1 367.537 2.545 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107554074 984684208 /nfs/dbraw/zinc/68/42/08/984684208.db2.gz XTXKRHACVFLJPX-FYYLOGMGSA-N 2 1 367.537 2.545 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107554074 984684216 /nfs/dbraw/zinc/68/42/16/984684216.db2.gz XTXKRHACVFLJPX-FYYLOGMGSA-N 2 1 367.537 2.545 20 30 FFEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173430403 985830306 /nfs/dbraw/zinc/83/03/06/985830306.db2.gz NBVKJUZTYQVNKH-GOSISDBHSA-N 2 1 352.486 2.746 20 30 FFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173430403 985830316 /nfs/dbraw/zinc/83/03/16/985830316.db2.gz NBVKJUZTYQVNKH-GOSISDBHSA-N 2 1 352.486 2.746 20 30 FFEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC[C@@H]2C1 ZINC000946795015 989501267 /nfs/dbraw/zinc/50/12/67/989501267.db2.gz SOHWHIZTGWXNDY-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)CC[C@@H]2C1 ZINC000946795015 989501273 /nfs/dbraw/zinc/50/12/73/989501273.db2.gz SOHWHIZTGWXNDY-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)CC[C@@H]2C1 ZINC000946795015 989501280 /nfs/dbraw/zinc/50/12/80/989501280.db2.gz SOHWHIZTGWXNDY-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001034216987 989976798 /nfs/dbraw/zinc/97/67/98/989976798.db2.gz MWOAWOJWAWWTIU-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001034216987 989976811 /nfs/dbraw/zinc/97/68/11/989976811.db2.gz MWOAWOJWAWWTIU-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001034216987 989976822 /nfs/dbraw/zinc/97/68/22/989976822.db2.gz MWOAWOJWAWWTIU-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001034216987 989976832 /nfs/dbraw/zinc/97/68/32/989976832.db2.gz MWOAWOJWAWWTIU-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409080 990053804 /nfs/dbraw/zinc/05/38/04/990053804.db2.gz AXYRZHORKDLHRK-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409080 990053812 /nfs/dbraw/zinc/05/38/12/990053812.db2.gz AXYRZHORKDLHRK-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409080 990053819 /nfs/dbraw/zinc/05/38/19/990053819.db2.gz AXYRZHORKDLHRK-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569368 1015591243 /nfs/dbraw/zinc/59/12/43/1015591243.db2.gz OBFFKPJPECFWSQ-RHSMWYFYSA-N 2 1 372.538 2.853 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079182609 991891704 /nfs/dbraw/zinc/89/17/04/991891704.db2.gz QTVAWFXNQBMTNA-XUVXKRRUSA-N 2 1 359.489 2.769 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079189794 991902316 /nfs/dbraw/zinc/90/23/16/991902316.db2.gz ZTJYNPLCASHVBK-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001079308482 992009495 /nfs/dbraw/zinc/00/94/95/992009495.db2.gz IKJMRLUHXGQXOP-ZTTFOMCMSA-N 2 1 359.489 2.626 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001080992359 993542905 /nfs/dbraw/zinc/54/29/05/993542905.db2.gz HAZSFRRTSDYOPW-LVCYWYKZSA-N 2 1 353.510 2.529 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001081165892 993714422 /nfs/dbraw/zinc/71/44/22/993714422.db2.gz LTMFUJVEFFOSTQ-PCCBWWKXSA-N 2 1 355.526 2.879 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809738171 994599718 /nfs/dbraw/zinc/59/97/18/994599718.db2.gz SGBNEMTYPDJPNC-UYAOXDASSA-N 2 1 358.530 2.825 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086695192 995154826 /nfs/dbraw/zinc/15/48/26/995154826.db2.gz GMGXKNUEECCQDT-HBMCJLEFSA-N 2 1 368.525 2.806 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)cc1 ZINC001084521969 996642548 /nfs/dbraw/zinc/64/25/48/996642548.db2.gz CXIRZMMXAXLLGH-WIYYLYMNSA-N 2 1 371.444 2.552 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)cc1 ZINC001084521969 996642551 /nfs/dbraw/zinc/64/25/51/996642551.db2.gz CXIRZMMXAXLLGH-WIYYLYMNSA-N 2 1 371.444 2.552 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000730105686 996855816 /nfs/dbraw/zinc/85/58/16/996855816.db2.gz LZCLFLHAZJRGFX-KNKQGSTJSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000730105686 996855826 /nfs/dbraw/zinc/85/58/26/996855826.db2.gz LZCLFLHAZJRGFX-KNKQGSTJSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC3CCCC3)[C@H]2C1 ZINC001084961266 998386424 /nfs/dbraw/zinc/38/64/24/998386424.db2.gz XCMCGUHUHJSQJW-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC3CCCC3)[C@H]2C1 ZINC001084961266 998386435 /nfs/dbraw/zinc/38/64/35/998386435.db2.gz XCMCGUHUHJSQJW-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CCCC3)[C@H]2C1 ZINC001084961266 998386443 /nfs/dbraw/zinc/38/64/43/998386443.db2.gz XCMCGUHUHJSQJW-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCC3)[C@H]2C1 ZINC001084961266 998386454 /nfs/dbraw/zinc/38/64/54/998386454.db2.gz XCMCGUHUHJSQJW-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC3CCCC3)[C@H]2C1 ZINC001084961244 998387213 /nfs/dbraw/zinc/38/72/13/998387213.db2.gz UXOGCUGDTPLNGI-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC3CCCC3)[C@H]2C1 ZINC001084961244 998387225 /nfs/dbraw/zinc/38/72/25/998387225.db2.gz UXOGCUGDTPLNGI-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCC3CCCC3)[C@H]2C1 ZINC001084961244 998387237 /nfs/dbraw/zinc/38/72/37/998387237.db2.gz UXOGCUGDTPLNGI-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCCC3)[C@H]2C1 ZINC001084961244 998387249 /nfs/dbraw/zinc/38/72/49/998387249.db2.gz UXOGCUGDTPLNGI-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CC4(CCC4)C3)[C@H]2C1 ZINC001084961242 998388290 /nfs/dbraw/zinc/38/82/90/998388290.db2.gz UVJOKDXBXZANGN-HKBOAZHASA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CC4(CCC4)C3)[C@H]2C1 ZINC001084961242 998388302 /nfs/dbraw/zinc/38/83/02/998388302.db2.gz UVJOKDXBXZANGN-HKBOAZHASA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC4(CCC4)C3)[C@H]2C1 ZINC001084961242 998388306 /nfs/dbraw/zinc/38/83/06/998388306.db2.gz UVJOKDXBXZANGN-HKBOAZHASA-N 2 1 369.553 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)[C@H]2C1 ZINC001084961242 998388315 /nfs/dbraw/zinc/38/83/15/998388315.db2.gz UVJOKDXBXZANGN-HKBOAZHASA-N 2 1 369.553 2.587 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033183 998723864 /nfs/dbraw/zinc/72/38/64/998723864.db2.gz URSYRPUNTOUJBD-FUHIMQAGSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033183 998723865 /nfs/dbraw/zinc/72/38/65/998723865.db2.gz URSYRPUNTOUJBD-FUHIMQAGSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033183 998723867 /nfs/dbraw/zinc/72/38/67/998723867.db2.gz URSYRPUNTOUJBD-FUHIMQAGSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064147 998821090 /nfs/dbraw/zinc/82/10/90/998821090.db2.gz BZWPBVVCFOEOND-XLIONFOSSA-N 2 1 365.481 2.770 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064147 998821094 /nfs/dbraw/zinc/82/10/94/998821094.db2.gz BZWPBVVCFOEOND-XLIONFOSSA-N 2 1 365.481 2.770 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001085203833 999157870 /nfs/dbraw/zinc/15/78/70/999157870.db2.gz FBMUBWRAWSJZEO-SJFSSXKUSA-N 2 1 372.488 2.555 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001085229656 999214034 /nfs/dbraw/zinc/21/40/34/999214034.db2.gz DFBUDGCSNHREST-NJYVYQBISA-N 2 1 371.500 2.771 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001085229656 999214041 /nfs/dbraw/zinc/21/40/41/999214041.db2.gz DFBUDGCSNHREST-NJYVYQBISA-N 2 1 371.500 2.771 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085377030 999425547 /nfs/dbraw/zinc/42/55/47/999425547.db2.gz FGUPDRRLCLZVBP-IAGOWNOFSA-N 2 1 359.861 2.650 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ccccc2)CC1 ZINC001096605439 1016343324 /nfs/dbraw/zinc/34/33/24/1016343324.db2.gz PCBJSZRFPYXYKB-XGARDCMYSA-N 2 1 365.521 2.814 20 30 FFEDMP C#CCOc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000769537654 1000544311 /nfs/dbraw/zinc/54/43/11/1000544311.db2.gz OCIZBDBFZIILDU-UHFFFAOYSA-N 2 1 355.526 2.689 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890181 1001122147 /nfs/dbraw/zinc/12/21/47/1001122147.db2.gz KTVOHTNNHPISPR-XCLNPWKQSA-N 2 1 365.481 2.957 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890181 1001122150 /nfs/dbraw/zinc/12/21/50/1001122150.db2.gz KTVOHTNNHPISPR-XCLNPWKQSA-N 2 1 365.481 2.957 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755489 1004575586 /nfs/dbraw/zinc/57/55/86/1004575586.db2.gz LJIDXKUGNXHRPA-HSALFYBXSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755489 1004575594 /nfs/dbraw/zinc/57/55/94/1004575594.db2.gz LJIDXKUGNXHRPA-HSALFYBXSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193755489 1004575603 /nfs/dbraw/zinc/57/56/03/1004575603.db2.gz LJIDXKUGNXHRPA-HSALFYBXSA-N 2 1 365.562 2.525 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107752 1006415715 /nfs/dbraw/zinc/41/57/15/1006415715.db2.gz XTQILXXGXURFAU-IPMKNSEASA-N 2 1 353.526 2.945 20 30 FFEDMP C#CCNC(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000815111122 1006512451 /nfs/dbraw/zinc/51/24/51/1006512451.db2.gz HWYHBXCIUSQQSM-VZKPYBMVSA-N 2 1 373.928 2.983 20 30 FFEDMP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861916 1007543334 /nfs/dbraw/zinc/54/33/34/1007543334.db2.gz IGMOFUIZXAECLM-SQGPQFPESA-N 2 1 356.514 2.663 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(COCC(F)(F)F)c1 ZINC000136894151 1008555134 /nfs/dbraw/zinc/55/51/34/1008555134.db2.gz WNLUJJDIPMUBOK-MRXNPFEDSA-N 2 1 372.435 2.654 20 30 FFEDMP N#CC1(C[C@@H](O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648616 1008793884 /nfs/dbraw/zinc/79/38/84/1008793884.db2.gz ZBRQHDJDPXDEOT-PWRODBHTSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648616 1008793897 /nfs/dbraw/zinc/79/38/97/1008793897.db2.gz ZBRQHDJDPXDEOT-PWRODBHTSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648616 1008793911 /nfs/dbraw/zinc/79/39/11/1008793911.db2.gz ZBRQHDJDPXDEOT-PWRODBHTSA-N 2 1 353.510 2.885 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985460 1009540676 /nfs/dbraw/zinc/54/06/76/1009540676.db2.gz IJLFXXPMQPCFNN-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985460 1009540685 /nfs/dbraw/zinc/54/06/85/1009540685.db2.gz IJLFXXPMQPCFNN-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985460 1009540698 /nfs/dbraw/zinc/54/06/98/1009540698.db2.gz IJLFXXPMQPCFNN-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885464 1010293568 /nfs/dbraw/zinc/29/35/68/1010293568.db2.gz VCCCZVANTLEVFW-ANTGDGSKSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885464 1010293576 /nfs/dbraw/zinc/29/35/76/1010293576.db2.gz VCCCZVANTLEVFW-ANTGDGSKSA-N 2 1 365.562 2.526 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001274433598 1011442151 /nfs/dbraw/zinc/44/21/51/1011442151.db2.gz WAJNAIIKXDHXMH-HOTGVXAUSA-N 2 1 359.436 2.656 20 30 FFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251476 1011724265 /nfs/dbraw/zinc/72/42/65/1011724265.db2.gz RBQOQHOMYLFGCL-OAQYLSRUSA-N 2 1 363.546 2.520 20 30 FFEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251476 1011724277 /nfs/dbraw/zinc/72/42/77/1011724277.db2.gz RBQOQHOMYLFGCL-OAQYLSRUSA-N 2 1 363.546 2.520 20 30 FFEDMP COc1ccc([C@@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303722606 1012412310 /nfs/dbraw/zinc/41/23/10/1012412310.db2.gz YJNUVGFTFDNLDK-OAQYLSRUSA-N 2 1 366.509 2.979 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1Oc1ccccc1 ZINC000303895617 1012503993 /nfs/dbraw/zinc/50/39/93/1012503993.db2.gz UATYVWZEUSQDPU-UHFFFAOYSA-N 2 1 368.481 2.606 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCc2ccccn2)c1 ZINC000303904014 1012513175 /nfs/dbraw/zinc/51/31/75/1012513175.db2.gz UQFQJKQKKOUHIK-LJQANCHMSA-N 2 1 367.497 2.549 20 30 FFEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000925003575 1017577908 /nfs/dbraw/zinc/57/79/08/1017577908.db2.gz WLICLZRRJWQHIP-APWZRJJASA-N 2 1 356.514 2.802 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001111454835 1017936792 /nfs/dbraw/zinc/93/67/92/1017936792.db2.gz BPKUOXPEGWMNDG-AQNXPRMDSA-N 2 1 359.558 2.879 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059657 1019849483 /nfs/dbraw/zinc/84/94/83/1019849483.db2.gz BDBGWXUHKKCHPJ-WIYYLYMNSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059657 1019849499 /nfs/dbraw/zinc/84/94/99/1019849499.db2.gz BDBGWXUHKKCHPJ-WIYYLYMNSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000930059657 1019849517 /nfs/dbraw/zinc/84/95/17/1019849517.db2.gz BDBGWXUHKKCHPJ-WIYYLYMNSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000930059657 1019849534 /nfs/dbraw/zinc/84/95/34/1019849534.db2.gz BDBGWXUHKKCHPJ-WIYYLYMNSA-N 2 1 351.494 2.945 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860639 1032891645 /nfs/dbraw/zinc/89/16/45/1032891645.db2.gz FGZFHPPZOFFOKM-SLFFLAALSA-N 2 1 365.562 2.741 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860639 1032891656 /nfs/dbraw/zinc/89/16/56/1032891656.db2.gz FGZFHPPZOFFOKM-SLFFLAALSA-N 2 1 365.562 2.741 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860639 1032891664 /nfs/dbraw/zinc/89/16/64/1032891664.db2.gz FGZFHPPZOFFOKM-SLFFLAALSA-N 2 1 365.562 2.741 20 30 FFEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@]1(C)CCCCO1 ZINC000902795516 1020481523 /nfs/dbraw/zinc/48/15/23/1020481523.db2.gz DCKPWVBOTPFAJF-TZIWHRDSSA-N 2 1 365.562 2.813 20 30 FFEDMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001111028432 1020747186 /nfs/dbraw/zinc/74/71/86/1020747186.db2.gz YSUGEASKZPJIMI-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001111028432 1020747191 /nfs/dbraw/zinc/74/71/91/1020747191.db2.gz YSUGEASKZPJIMI-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001111028432 1020747196 /nfs/dbraw/zinc/74/71/96/1020747196.db2.gz YSUGEASKZPJIMI-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)CC(C)(C)C ZINC001111028432 1020747207 /nfs/dbraw/zinc/74/72/07/1020747207.db2.gz YSUGEASKZPJIMI-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ccccc2)CC1 ZINC001098461060 1020927859 /nfs/dbraw/zinc/92/78/59/1020927859.db2.gz PCBJSZRFPYXYKB-UPZYVNNASA-N 2 1 365.521 2.814 20 30 FFEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001098461682 1020928964 /nfs/dbraw/zinc/92/89/64/1020928964.db2.gz LAVANZQENKLENO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001098461682 1020928973 /nfs/dbraw/zinc/92/89/73/1020928973.db2.gz LAVANZQENKLENO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001098461682 1020928978 /nfs/dbraw/zinc/92/89/78/1020928978.db2.gz LAVANZQENKLENO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001098461682 1020928984 /nfs/dbraw/zinc/92/89/84/1020928984.db2.gz LAVANZQENKLENO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(CC)CC)C3)CC1 ZINC001099174280 1021999200 /nfs/dbraw/zinc/99/92/00/1021999200.db2.gz FYRAUQXFVTVKRI-UNMCSNQZSA-N 2 1 359.558 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001017130188 1022164342 /nfs/dbraw/zinc/16/43/42/1022164342.db2.gz LBKYOGMTKIAZQV-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001017130188 1022164346 /nfs/dbraw/zinc/16/43/46/1022164346.db2.gz LBKYOGMTKIAZQV-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001017130188 1022164349 /nfs/dbraw/zinc/16/43/49/1022164349.db2.gz LBKYOGMTKIAZQV-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099288945 1022227774 /nfs/dbraw/zinc/22/77/74/1022227774.db2.gz XXEMIRBUXDQOCK-CHWSQXEVSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001122514158 1023314350 /nfs/dbraw/zinc/31/43/50/1023314350.db2.gz OLNBBXOVTPBYAW-GUDVDZBRSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001122514158 1023314356 /nfs/dbraw/zinc/31/43/56/1023314356.db2.gz OLNBBXOVTPBYAW-GUDVDZBRSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001122514158 1023314364 /nfs/dbraw/zinc/31/43/64/1023314364.db2.gz OLNBBXOVTPBYAW-GUDVDZBRSA-N 2 1 374.577 2.830 20 30 FFEDMP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC001120814813 1023481605 /nfs/dbraw/zinc/48/16/05/1023481605.db2.gz HVWQNGXNQRRDGQ-HNNXBMFYSA-N 2 1 363.303 2.901 20 30 FFEDMP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC001120814813 1023481608 /nfs/dbraw/zinc/48/16/08/1023481608.db2.gz HVWQNGXNQRRDGQ-HNNXBMFYSA-N 2 1 363.303 2.901 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101440656 1024749809 /nfs/dbraw/zinc/74/98/09/1024749809.db2.gz PXEHTZHWYJUKPI-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101440656 1024749821 /nfs/dbraw/zinc/74/98/21/1024749821.db2.gz PXEHTZHWYJUKPI-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101440656 1024749831 /nfs/dbraw/zinc/74/98/31/1024749831.db2.gz PXEHTZHWYJUKPI-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCCC(C)C)C[C@@]3(C)C2)CC1 ZINC001101473260 1024837019 /nfs/dbraw/zinc/83/70/19/1024837019.db2.gz NMOCMSXAJBUFQC-IRLDBZIGSA-N 2 1 359.558 2.548 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039977 1033259656 /nfs/dbraw/zinc/25/96/56/1033259656.db2.gz QMBGLRJNLOTMDT-QUCCMNQESA-N 2 1 356.514 2.797 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102595910 1026389641 /nfs/dbraw/zinc/38/96/41/1026389641.db2.gz CFGUQKYQUPITNT-WIYYLYMNSA-N 2 1 368.525 2.618 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001102596518 1026391995 /nfs/dbraw/zinc/39/19/95/1026391995.db2.gz KQIJGFDZUCBIAR-TZIWHRDSSA-N 2 1 361.574 2.986 20 30 FFEDMP C#C[C@@H]1CCC[N@H+](Cc2[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c2C)C1 ZINC001141574988 1026604195 /nfs/dbraw/zinc/60/41/95/1026604195.db2.gz KLQPLJWELHUFIM-GOSISDBHSA-N 2 1 358.530 2.548 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373487 1027339143 /nfs/dbraw/zinc/33/91/43/1027339143.db2.gz UHVQCPBPZXFDAU-UKRRQHHQSA-N 2 1 353.894 2.782 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433778 1027474317 /nfs/dbraw/zinc/47/43/17/1027474317.db2.gz LINPRJHXVGYBNY-WSTZPKSXSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433778 1027474320 /nfs/dbraw/zinc/47/43/20/1027474320.db2.gz LINPRJHXVGYBNY-WSTZPKSXSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433778 1027474325 /nfs/dbraw/zinc/47/43/25/1027474325.db2.gz LINPRJHXVGYBNY-WSTZPKSXSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001161264067 1028101738 /nfs/dbraw/zinc/10/17/38/1028101738.db2.gz IAWIERSVTQTFAL-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001161264067 1028101752 /nfs/dbraw/zinc/10/17/52/1028101752.db2.gz IAWIERSVTQTFAL-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001161264067 1028101768 /nfs/dbraw/zinc/10/17/68/1028101768.db2.gz IAWIERSVTQTFAL-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740307 1028109538 /nfs/dbraw/zinc/10/95/38/1028109538.db2.gz COLPBHPVCVBXGU-VAMGGRTRSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740307 1028109541 /nfs/dbraw/zinc/10/95/41/1028109541.db2.gz COLPBHPVCVBXGU-VAMGGRTRSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740307 1028109548 /nfs/dbraw/zinc/10/95/48/1028109548.db2.gz COLPBHPVCVBXGU-VAMGGRTRSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740307 1028109554 /nfs/dbraw/zinc/10/95/54/1028109554.db2.gz COLPBHPVCVBXGU-VAMGGRTRSA-N 2 1 367.578 2.752 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001111805337 1029500687 /nfs/dbraw/zinc/50/06/87/1029500687.db2.gz OUEMKFZJXWXBIL-UWJYYQICSA-N 2 1 365.481 2.818 20 30 FFEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001203760954 1030870674 /nfs/dbraw/zinc/87/06/74/1030870674.db2.gz VGKKWIIREULXCM-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001203760954 1030870686 /nfs/dbraw/zinc/87/06/86/1030870686.db2.gz VGKKWIIREULXCM-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001203760954 1030870705 /nfs/dbraw/zinc/87/07/05/1030870705.db2.gz VGKKWIIREULXCM-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734050 1031582508 /nfs/dbraw/zinc/58/25/08/1031582508.db2.gz RHURYVKJCKDIOM-CEXWTWQISA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734050 1031582523 /nfs/dbraw/zinc/58/25/23/1031582523.db2.gz RHURYVKJCKDIOM-CEXWTWQISA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734050 1031582529 /nfs/dbraw/zinc/58/25/29/1031582529.db2.gz RHURYVKJCKDIOM-CEXWTWQISA-N 2 1 353.551 2.504 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205674225 1031925034 /nfs/dbraw/zinc/92/50/34/1031925034.db2.gz GBJSIJGCRAMTSQ-IMFGXOCKSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205685705 1031932913 /nfs/dbraw/zinc/93/29/13/1031932913.db2.gz FILDNISSEGOORY-XKGZKEIXSA-N 2 1 359.489 2.628 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224197983 1033764938 /nfs/dbraw/zinc/76/49/38/1033764938.db2.gz IADJAPAEJKKCGB-HSALFYBXSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224197983 1033764943 /nfs/dbraw/zinc/76/49/43/1033764943.db2.gz IADJAPAEJKKCGB-HSALFYBXSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001224197983 1033764948 /nfs/dbraw/zinc/76/49/48/1033764948.db2.gz IADJAPAEJKKCGB-HSALFYBXSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001224197983 1033764966 /nfs/dbraw/zinc/76/49/66/1033764966.db2.gz IADJAPAEJKKCGB-HSALFYBXSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796660 1033826419 /nfs/dbraw/zinc/82/64/19/1033826419.db2.gz LJIDXKUGNXHRPA-AABGKKOBSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796660 1033826436 /nfs/dbraw/zinc/82/64/36/1033826436.db2.gz LJIDXKUGNXHRPA-AABGKKOBSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796660 1033826452 /nfs/dbraw/zinc/82/64/52/1033826452.db2.gz LJIDXKUGNXHRPA-AABGKKOBSA-N 2 1 365.562 2.525 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224288919 1033830946 /nfs/dbraw/zinc/83/09/46/1033830946.db2.gz BGFBOOAUYPVGQO-MSOLQXFVSA-N 2 1 353.938 2.928 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224288919 1033830960 /nfs/dbraw/zinc/83/09/60/1033830960.db2.gz BGFBOOAUYPVGQO-MSOLQXFVSA-N 2 1 353.938 2.928 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220868916 1034438045 /nfs/dbraw/zinc/43/80/45/1034438045.db2.gz ZLRXTGTVHDEPGF-VXKWHMMOSA-N 2 1 363.505 2.990 20 30 FFEDMP Cc1ccc(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1C#N ZINC001139724064 1035207922 /nfs/dbraw/zinc/20/79/22/1035207922.db2.gz KDZUHYGXTRPEFS-UHFFFAOYSA-N 2 1 367.497 2.547 20 30 FFEDMP Cc1ccc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1C#N ZINC001139724064 1035207930 /nfs/dbraw/zinc/20/79/30/1035207930.db2.gz KDZUHYGXTRPEFS-UHFFFAOYSA-N 2 1 367.497 2.547 20 30 FFEDMP c1ccc(C[N@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000834977226 1035483411 /nfs/dbraw/zinc/48/34/11/1035483411.db2.gz RKOVODUPOSIRRN-IFMALSPDSA-N 2 1 370.541 2.729 20 30 FFEDMP c1ccc(C[N@@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000834977226 1035483413 /nfs/dbraw/zinc/48/34/13/1035483413.db2.gz RKOVODUPOSIRRN-IFMALSPDSA-N 2 1 370.541 2.729 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000836489057 1036585225 /nfs/dbraw/zinc/58/52/25/1036585225.db2.gz VAAINXVUJJGTPA-TZIWHRDSSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489057 1036585238 /nfs/dbraw/zinc/58/52/38/1036585238.db2.gz VAAINXVUJJGTPA-TZIWHRDSSA-N 2 1 370.541 2.541 20 30 FFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235521908 1037605507 /nfs/dbraw/zinc/60/55/07/1037605507.db2.gz KWHLKGVCGOHKJY-FGZHOGPDSA-N 2 1 356.510 2.906 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207966457 1037902076 /nfs/dbraw/zinc/90/20/76/1037902076.db2.gz JWBPIBZILVWJRW-JTDSTZFVSA-N 2 1 353.470 2.672 20 30 FFEDMP N#Cc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c(F)c1 ZINC001236063659 1037909606 /nfs/dbraw/zinc/90/96/06/1037909606.db2.gz XKZXNRVBKIOXEG-UHFFFAOYSA-N 2 1 356.470 2.727 20 30 FFEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)cc2)cc1 ZINC001236077505 1037921604 /nfs/dbraw/zinc/92/16/04/1037921604.db2.gz ISLUISZIAMVIDQ-FQEVSTJZSA-N 2 1 362.477 2.958 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001246033681 1039205741 /nfs/dbraw/zinc/20/57/41/1039205741.db2.gz ONFFWIBJABOQOT-FPOVZHCZSA-N 2 1 367.578 2.822 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001246033681 1039205757 /nfs/dbraw/zinc/20/57/57/1039205757.db2.gz ONFFWIBJABOQOT-FPOVZHCZSA-N 2 1 367.578 2.822 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001278709672 1040093275 /nfs/dbraw/zinc/09/32/75/1040093275.db2.gz IJNFDWYNNGEMEZ-UHFFFAOYSA-N 2 1 354.502 2.670 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081487 1041946939 /nfs/dbraw/zinc/94/69/39/1041946939.db2.gz FNBNXHGISXRENU-GPMSIDNRSA-N 2 1 353.470 2.672 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262941181 1041977621 /nfs/dbraw/zinc/97/76/21/1041977621.db2.gz DZRLVAMCWVLRFG-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001263920197 1042533051 /nfs/dbraw/zinc/53/30/51/1042533051.db2.gz WOJDWVSBRKWGST-KCLUMXDGSA-N 2 1 355.526 2.782 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C)[NH+](C)C ZINC001264148730 1042638268 /nfs/dbraw/zinc/63/82/68/1042638268.db2.gz MTTXUVFCPVTYOW-AYOQOUSVSA-N 2 1 361.917 2.611 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C)[NH+](C)C ZINC001264148730 1042638270 /nfs/dbraw/zinc/63/82/70/1042638270.db2.gz MTTXUVFCPVTYOW-AYOQOUSVSA-N 2 1 361.917 2.611 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001280234472 1044439886 /nfs/dbraw/zinc/43/98/86/1044439886.db2.gz JVQVIVPMKFIZJO-XQBPLPMBSA-N 2 1 357.542 2.964 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342259097 1050850132 /nfs/dbraw/zinc/85/01/32/1050850132.db2.gz JROKXAARGVNUHL-GOSISDBHSA-N 2 1 374.577 2.974 20 30 FFEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001502001825 1058751245 /nfs/dbraw/zinc/75/12/45/1058751245.db2.gz VWPOUPNUCDDCQC-UXHICEINSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001520505588 1059744474 /nfs/dbraw/zinc/74/44/74/1059744474.db2.gz WXAZPTQGSBCPRO-KRWDZBQOSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001520505588 1059744497 /nfs/dbraw/zinc/74/44/97/1059744497.db2.gz WXAZPTQGSBCPRO-KRWDZBQOSA-N 2 1 358.534 2.686 20 30 FFEDMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001494980810 1063418673 /nfs/dbraw/zinc/41/86/73/1063418673.db2.gz HWAAGDUGWQSNJE-KBAYOESNSA-N 2 1 361.917 2.516 20 30 FFEDMP C=CC1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001574881582 1078089805 /nfs/dbraw/zinc/08/98/05/1078089805.db2.gz LGOAFXXPIBBODZ-MJGOQNOKSA-N 2 1 374.577 2.878 20 30 FFEDMP C=CCN(CC=C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001574927342 1078094064 /nfs/dbraw/zinc/09/40/64/1078094064.db2.gz KQNITMQLBFYJTM-OALUTQOASA-N 2 1 372.561 2.798 20 30 FFEDMP C#CCNC(=O)C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001473531164 1065279049 /nfs/dbraw/zinc/27/90/49/1065279049.db2.gz PLQQYOAWAJJBJR-QFIPXVFZSA-N 2 1 367.537 2.893 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851614 1076985248 /nfs/dbraw/zinc/98/52/48/1076985248.db2.gz UPBJFNGZCDKIMR-SFTDATJTSA-N 2 1 353.510 2.597 20 30 FFEDMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000273259053 252265430 /nfs/dbraw/zinc/26/54/30/252265430.db2.gz MNGDJWLXQHFAKO-QGZVFWFLSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000273259053 252265433 /nfs/dbraw/zinc/26/54/33/252265433.db2.gz MNGDJWLXQHFAKO-QGZVFWFLSA-N 2 1 356.514 2.759 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1C#N ZINC000288544505 257203255 /nfs/dbraw/zinc/20/32/55/257203255.db2.gz LBYFQTONBDVOTD-UHFFFAOYSA-N 2 1 354.454 2.582 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201178 508286164 /nfs/dbraw/zinc/28/61/64/508286164.db2.gz GTDPESYUEAABBG-LJQANCHMSA-N 2 1 357.502 2.632 20 30 FFEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142892 508298300 /nfs/dbraw/zinc/29/83/00/508298300.db2.gz MYUIFBQWXNVFND-UHFFFAOYSA-N 2 1 356.514 2.593 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000106341204 508399619 /nfs/dbraw/zinc/39/96/19/508399619.db2.gz WGLKEALEOXFIOS-HXUWFJFHSA-N 2 1 356.514 2.725 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000106341204 508399620 /nfs/dbraw/zinc/39/96/20/508399620.db2.gz WGLKEALEOXFIOS-HXUWFJFHSA-N 2 1 356.514 2.725 20 30 FFEDMP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121769189 508414263 /nfs/dbraw/zinc/41/42/63/508414263.db2.gz VXOAHNPTZZZRRG-FQEVSTJZSA-N 2 1 354.498 2.673 20 30 FFEDMP N#CCCCOc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000119517417 508811705 /nfs/dbraw/zinc/81/17/05/508811705.db2.gz OBNVFTKYYIQEEU-UHFFFAOYSA-N 2 1 356.514 2.583 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371471517 512422944 /nfs/dbraw/zinc/42/29/44/512422944.db2.gz VBPMWSLVSADAEH-WSTZPKSXSA-N 2 1 360.498 2.944 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371471517 512422948 /nfs/dbraw/zinc/42/29/48/512422948.db2.gz VBPMWSLVSADAEH-WSTZPKSXSA-N 2 1 360.498 2.944 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1OC ZINC000267461485 509496854 /nfs/dbraw/zinc/49/68/54/509496854.db2.gz VIEDHVJYCILFDV-HNNXBMFYSA-N 2 1 356.470 2.951 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000267461485 509496858 /nfs/dbraw/zinc/49/68/58/509496858.db2.gz VIEDHVJYCILFDV-HNNXBMFYSA-N 2 1 356.470 2.951 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000183149377 509627518 /nfs/dbraw/zinc/62/75/18/509627518.db2.gz LSJJKSROVIIDLY-VLIAUNLRSA-N 2 1 351.454 2.640 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180994148 510227334 /nfs/dbraw/zinc/22/73/34/510227334.db2.gz HJPLTUQFBFSTLM-NRFANRHFSA-N 2 1 350.462 2.555 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281666 510406619 /nfs/dbraw/zinc/40/66/19/510406619.db2.gz CECLYNWSEUVHBD-GIVPXCGWSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281666 510406625 /nfs/dbraw/zinc/40/66/25/510406625.db2.gz CECLYNWSEUVHBD-GIVPXCGWSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281666 510406633 /nfs/dbraw/zinc/40/66/33/510406633.db2.gz CECLYNWSEUVHBD-GIVPXCGWSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281666 510406638 /nfs/dbraw/zinc/40/66/38/510406638.db2.gz CECLYNWSEUVHBD-GIVPXCGWSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)N(C)CCC#N ZINC000266447456 510593322 /nfs/dbraw/zinc/59/33/22/510593322.db2.gz IKOFNPZVTORRGC-KRWDZBQOSA-N 2 1 368.481 2.762 20 30 FFEDMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000185226334 510757821 /nfs/dbraw/zinc/75/78/21/510757821.db2.gz ZZEIFFXWJZDNQJ-UHFFFAOYSA-N 2 1 351.454 2.894 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000330274856 510953364 /nfs/dbraw/zinc/95/33/64/510953364.db2.gz KSWNAJIVPSVINW-ROUUACIJSA-N 2 1 359.518 2.556 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575612 510998675 /nfs/dbraw/zinc/99/86/75/510998675.db2.gz JREIKDUNZFWRKW-VAMGGRTRSA-N 2 1 353.514 2.608 20 30 FFEDMP N#CCCn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000278570271 510998740 /nfs/dbraw/zinc/99/87/40/510998740.db2.gz DPAPKLQWBQXILO-UHFFFAOYSA-N 2 1 352.486 2.824 20 30 FFEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000279463600 511092065 /nfs/dbraw/zinc/09/20/65/511092065.db2.gz URASYMYLTCWZCX-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000279463600 511092067 /nfs/dbraw/zinc/09/20/67/511092067.db2.gz URASYMYLTCWZCX-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000279463600 511092069 /nfs/dbraw/zinc/09/20/69/511092069.db2.gz URASYMYLTCWZCX-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000279463600 511092072 /nfs/dbraw/zinc/09/20/72/511092072.db2.gz URASYMYLTCWZCX-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280607496 511531027 /nfs/dbraw/zinc/53/10/27/511531027.db2.gz XKRGSRGWIKMBGS-OYRHEFFESA-N 2 1 374.488 2.951 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280607496 511531033 /nfs/dbraw/zinc/53/10/33/511531033.db2.gz XKRGSRGWIKMBGS-OYRHEFFESA-N 2 1 374.488 2.951 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280607496 511531039 /nfs/dbraw/zinc/53/10/39/511531039.db2.gz XKRGSRGWIKMBGS-OYRHEFFESA-N 2 1 374.488 2.951 20 30 FFEDMP COCC[C@H]([NH2+]CC#CC[NH2+][C@@H](CCOC)c1ccco1)c1ccco1 ZINC000284309949 511678354 /nfs/dbraw/zinc/67/83/54/511678354.db2.gz ZUHDSHRFTCCYFW-ROUUACIJSA-N 2 1 360.454 2.911 20 30 FFEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000312094965 511781456 /nfs/dbraw/zinc/78/14/56/511781456.db2.gz FLTUIJVUWHGUNL-NRFANRHFSA-N 2 1 365.477 2.552 20 30 FFEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCSC1 ZINC000329238288 512011671 /nfs/dbraw/zinc/01/16/71/512011671.db2.gz LAMZSOLIWMWKMX-SFHVURJKSA-N 2 1 372.538 2.939 20 30 FFEDMP C[C@H]1[N@@H+](CC#CC[NH+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000367461505 512510483 /nfs/dbraw/zinc/51/04/83/512510483.db2.gz AGWZLQJFBPMNII-BGYRXZFFSA-N 2 1 360.542 2.772 20 30 FFEDMP C[C@H]1[NH+](CC#CC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000367461505 512510490 /nfs/dbraw/zinc/51/04/90/512510490.db2.gz AGWZLQJFBPMNII-BGYRXZFFSA-N 2 1 360.542 2.772 20 30 FFEDMP C[C@H]1[NH+](CC#CC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000367461505 512510496 /nfs/dbraw/zinc/51/04/96/512510496.db2.gz AGWZLQJFBPMNII-BGYRXZFFSA-N 2 1 360.542 2.772 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000371825315 512591505 /nfs/dbraw/zinc/59/15/05/512591505.db2.gz RXJBXOASFDNZCN-OAQYLSRUSA-N 2 1 371.500 2.784 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000371825315 512591509 /nfs/dbraw/zinc/59/15/09/512591509.db2.gz RXJBXOASFDNZCN-OAQYLSRUSA-N 2 1 371.500 2.784 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449123988 514081410 /nfs/dbraw/zinc/08/14/10/514081410.db2.gz OXELNEDSRVLRDM-INIZCTEOSA-N 2 1 350.528 2.824 20 30 FFEDMP COc1cc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000415126881 514455542 /nfs/dbraw/zinc/45/55/42/514455542.db2.gz HFNYERZCUUGZJY-UHFFFAOYSA-N 2 1 364.493 2.650 20 30 FFEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccncc2)n1 ZINC000433339598 514463677 /nfs/dbraw/zinc/46/36/77/514463677.db2.gz LTRVCDYIUGYEHV-UHFFFAOYSA-N 2 1 364.497 2.823 20 30 FFEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000503183788 514947826 /nfs/dbraw/zinc/94/78/26/514947826.db2.gz WBXIHKUSYWFMKF-UXHICEINSA-N 2 1 356.514 2.665 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000511915955 516076711 /nfs/dbraw/zinc/07/67/11/516076711.db2.gz KBPRGMJAYWAAPU-FQEVSTJZSA-N 2 1 371.529 2.506 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cscc1C#N ZINC000551756388 516856912 /nfs/dbraw/zinc/85/69/12/516856912.db2.gz XEGBGYBFXWSYJD-UHFFFAOYSA-N 2 1 374.554 2.888 20 30 FFEDMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000520173006 517289200 /nfs/dbraw/zinc/28/92/00/517289200.db2.gz BUWDHDMIHKFCHK-UHFFFAOYSA-N 2 1 356.514 2.617 20 30 FFEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(CC#N)CC2)CC1 ZINC000541952927 517306141 /nfs/dbraw/zinc/30/61/41/517306141.db2.gz XMPAIQRLSSLJEO-UHFFFAOYSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(CC#N)CC2)CC1 ZINC000541952927 517306161 /nfs/dbraw/zinc/30/61/61/517306161.db2.gz XMPAIQRLSSLJEO-UHFFFAOYSA-N 2 1 368.525 2.655 20 30 FFEDMP C[C@@H](NCc1nc(C#N)cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000578870719 518414393 /nfs/dbraw/zinc/41/43/93/518414393.db2.gz AYLOGQXVGJITRR-CYBMUJFWSA-N 2 1 359.474 2.756 20 30 FFEDMP C(#CC[N@H+]1CCC[C@H]1C1CCOCC1)C[NH+]1CCC[C@H]1C1CCOCC1 ZINC000576535613 518640939 /nfs/dbraw/zinc/64/09/39/518640939.db2.gz VSVMQIPNOSYCQN-VXKWHMMOSA-N 2 1 360.542 2.772 20 30 FFEDMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000573709359 518797674 /nfs/dbraw/zinc/79/76/74/518797674.db2.gz VBIALEYZRUAZGS-UHFFFAOYSA-N 2 1 373.476 2.721 20 30 FFEDMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000573709359 518797679 /nfs/dbraw/zinc/79/76/79/518797679.db2.gz VBIALEYZRUAZGS-UHFFFAOYSA-N 2 1 373.476 2.721 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000566430624 519489444 /nfs/dbraw/zinc/48/94/44/519489444.db2.gz FYTYYHBAYNPFED-HXUWFJFHSA-N 2 1 372.488 2.703 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000592507297 520426932 /nfs/dbraw/zinc/42/69/32/520426932.db2.gz RYRBFKZSEQCQJX-PXNSSMCTSA-N 2 1 356.514 2.772 20 30 FFEDMP Cn1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595908173 520813049 /nfs/dbraw/zinc/81/30/49/520813049.db2.gz ZJRSUNBGHDDEEH-FQEVSTJZSA-N 2 1 367.497 2.501 20 30 FFEDMP Cn1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595908173 520813055 /nfs/dbraw/zinc/81/30/55/520813055.db2.gz ZJRSUNBGHDDEEH-FQEVSTJZSA-N 2 1 367.497 2.501 20 30 FFEDMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365505 521176566 /nfs/dbraw/zinc/17/65/66/521176566.db2.gz DOTVTUJEICLZQW-SESVDKBCSA-N 2 1 371.525 2.558 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596632845 521178358 /nfs/dbraw/zinc/17/83/58/521178358.db2.gz PPLVFTQDYXOCPF-JXFKEZNVSA-N 2 1 371.529 2.507 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596632845 521178367 /nfs/dbraw/zinc/17/83/67/521178367.db2.gz PPLVFTQDYXOCPF-JXFKEZNVSA-N 2 1 371.529 2.507 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372142 521180158 /nfs/dbraw/zinc/18/01/58/521180158.db2.gz IOBVTTFWHYLGSX-NRSPTQNISA-N 2 1 371.525 2.558 20 30 FFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551337 521213730 /nfs/dbraw/zinc/21/37/30/521213730.db2.gz KMQRVFSKDZSGMS-FQEVSTJZSA-N 2 1 355.461 2.993 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000596691395 521224945 /nfs/dbraw/zinc/22/49/45/521224945.db2.gz YTRQIRCVHJAHPR-KRWDZBQOSA-N 2 1 371.529 2.509 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000596691395 521224951 /nfs/dbraw/zinc/22/49/51/521224951.db2.gz YTRQIRCVHJAHPR-KRWDZBQOSA-N 2 1 371.529 2.509 20 30 FFEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597003910 521437393 /nfs/dbraw/zinc/43/73/93/521437393.db2.gz VDGNVIBQJCKCCT-NRFANRHFSA-N 2 1 352.526 2.844 20 30 FFEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597003910 521437401 /nfs/dbraw/zinc/43/74/01/521437401.db2.gz VDGNVIBQJCKCCT-NRFANRHFSA-N 2 1 352.526 2.844 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000597021800 521452149 /nfs/dbraw/zinc/45/21/49/521452149.db2.gz SCMJPOAPMOGJSD-WIYYLYMNSA-N 2 1 352.526 2.700 20 30 FFEDMP C=CC[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704689 523634311 /nfs/dbraw/zinc/63/43/11/523634311.db2.gz PYSUYMDPPAJRFG-IBGZPJMESA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704689 523634323 /nfs/dbraw/zinc/63/43/23/523634323.db2.gz PYSUYMDPPAJRFG-IBGZPJMESA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704689 523634332 /nfs/dbraw/zinc/63/43/32/523634332.db2.gz PYSUYMDPPAJRFG-IBGZPJMESA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704689 523634345 /nfs/dbraw/zinc/63/43/45/523634345.db2.gz PYSUYMDPPAJRFG-IBGZPJMESA-N 2 1 371.525 2.628 20 30 FFEDMP CC[NH+]=C(NCc1csc(Br)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262781143 729670961 /nfs/dbraw/zinc/67/09/61/729670961.db2.gz LLLZDFUWMLVUAQ-GFCCVEGCSA-N 2 1 371.348 2.802 20 30 FFEDMP CC[NH+]=C(NCc1csc(Br)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262781143 729670963 /nfs/dbraw/zinc/67/09/63/729670963.db2.gz LLLZDFUWMLVUAQ-GFCCVEGCSA-N 2 1 371.348 2.802 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)(F)F ZINC000305030059 729737726 /nfs/dbraw/zinc/73/77/26/729737726.db2.gz QPGZXOUUTBRCTN-AWEZNQCLSA-N 2 1 358.408 2.516 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000876896792 732293812 /nfs/dbraw/zinc/29/38/12/732293812.db2.gz MVLIWUZFJLYONI-GOSISDBHSA-N 2 1 361.917 2.971 20 30 FFEDMP N#Cc1ccc(Br)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000921720778 738032875 /nfs/dbraw/zinc/03/28/75/738032875.db2.gz KCGQRMXKFAQOFF-INIZCTEOSA-N 2 1 366.303 2.647 20 30 FFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896615 971116199 /nfs/dbraw/zinc/11/61/99/971116199.db2.gz HIEJIKYLTUSVMO-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087469473 965297561 /nfs/dbraw/zinc/29/75/61/965297561.db2.gz DRQMNMJXUZXSMT-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087469473 965297569 /nfs/dbraw/zinc/29/75/69/965297569.db2.gz DRQMNMJXUZXSMT-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087469473 965297579 /nfs/dbraw/zinc/29/75/79/965297579.db2.gz DRQMNMJXUZXSMT-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000104166500 965985697 /nfs/dbraw/zinc/98/56/97/965985697.db2.gz GCQBJAZPXWIVDH-SFHVURJKSA-N 2 1 362.518 2.553 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087212926 966582359 /nfs/dbraw/zinc/58/23/59/966582359.db2.gz WXQSYIDABCONER-LQWHRVPQSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424613 966780882 /nfs/dbraw/zinc/78/08/82/966780882.db2.gz NTAPXGNVKGBSIP-QZTJIDSGSA-N 2 1 358.530 2.802 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112165291 968154252 /nfs/dbraw/zinc/15/42/52/968154252.db2.gz ZVAMSEJQKITGMV-MGPQQGTHSA-N 2 1 369.859 2.838 20 30 FFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579197 969819560 /nfs/dbraw/zinc/81/95/60/969819560.db2.gz KDICKHOQLMKOFQ-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001104705913 970135657 /nfs/dbraw/zinc/13/56/57/970135657.db2.gz DRZFSQYZLXJCTK-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2CC)CC1 ZINC001087840042 970521748 /nfs/dbraw/zinc/52/17/48/970521748.db2.gz DWZQECGXFPEGKP-LEWJYISDSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CC[C@@]1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662789130 974077305 /nfs/dbraw/zinc/07/73/05/974077305.db2.gz SUGLSFNTJRLGGR-QFIPXVFZSA-N 2 1 355.526 2.852 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001027419818 974408010 /nfs/dbraw/zinc/40/80/10/974408010.db2.gz UERRYVMJTHQEIC-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001027419818 974408013 /nfs/dbraw/zinc/40/80/13/974408013.db2.gz UERRYVMJTHQEIC-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001027419818 974408016 /nfs/dbraw/zinc/40/80/16/974408016.db2.gz UERRYVMJTHQEIC-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684451 975181985 /nfs/dbraw/zinc/18/19/85/975181985.db2.gz YVQJWAILLPNNIC-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530130 975488186 /nfs/dbraw/zinc/48/81/86/975488186.db2.gz FKVWXHOQSVBHKC-DXIQSLLYSA-N 2 1 370.541 2.938 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001087428424 975676414 /nfs/dbraw/zinc/67/64/14/975676414.db2.gz FCCHSGHITTXDFX-PLACYPQZSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001087428424 975676418 /nfs/dbraw/zinc/67/64/18/975676418.db2.gz FCCHSGHITTXDFX-PLACYPQZSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001087428424 975676422 /nfs/dbraw/zinc/67/64/22/975676422.db2.gz FCCHSGHITTXDFX-PLACYPQZSA-N 2 1 355.526 2.877 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088770500 976072986 /nfs/dbraw/zinc/07/29/86/976072986.db2.gz QXCQCHJQQYECOX-TYCQWZJGSA-N 2 1 366.509 2.512 20 30 FFEDMP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001087444062 977597129 /nfs/dbraw/zinc/59/71/29/977597129.db2.gz VPUJFMARTOSCMT-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087459832 977994463 /nfs/dbraw/zinc/99/44/63/977994463.db2.gz AGBKMIYCQOIAAO-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087459832 977994471 /nfs/dbraw/zinc/99/44/71/977994471.db2.gz AGBKMIYCQOIAAO-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087459832 977994478 /nfs/dbraw/zinc/99/44/78/977994478.db2.gz AGBKMIYCQOIAAO-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1 ZINC001088952345 985583964 /nfs/dbraw/zinc/58/39/64/985583964.db2.gz LIIHFEWBNOXGNY-UTKZUKDTSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330318 987445161 /nfs/dbraw/zinc/44/51/61/987445161.db2.gz PTZRXQMLIPXLDV-AZUAARDMSA-N 2 1 368.525 2.561 20 30 FFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577965 988427611 /nfs/dbraw/zinc/42/76/11/988427611.db2.gz XHFVUCXQCTWLAJ-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577965 988427614 /nfs/dbraw/zinc/42/76/14/988427614.db2.gz XHFVUCXQCTWLAJ-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765441 988989908 /nfs/dbraw/zinc/98/99/08/988989908.db2.gz BVDZNSFKBNBUFY-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079189792 991902135 /nfs/dbraw/zinc/90/21/35/991902135.db2.gz ZTJYNPLCASHVBK-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082612314 995088603 /nfs/dbraw/zinc/08/86/03/995088603.db2.gz HBCCOTQKXWIKJL-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001084960993 998386595 /nfs/dbraw/zinc/38/65/95/998386595.db2.gz DMECIUNCOGMAAX-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C)c3)[C@H]2C1 ZINC001084960993 998386607 /nfs/dbraw/zinc/38/66/07/998386607.db2.gz DMECIUNCOGMAAX-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cccc(C)c3)[C@H]2C1 ZINC001084960993 998386615 /nfs/dbraw/zinc/38/66/15/998386615.db2.gz DMECIUNCOGMAAX-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3cccc(C)c3)[C@H]2C1 ZINC001084960993 998386625 /nfs/dbraw/zinc/38/66/25/998386625.db2.gz DMECIUNCOGMAAX-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001171193842 998615339 /nfs/dbraw/zinc/61/53/39/998615339.db2.gz DDLMHXZHILMSQD-YSZBQJHXSA-N 2 1 363.505 2.962 20 30 FFEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001171193842 998615342 /nfs/dbraw/zinc/61/53/42/998615342.db2.gz DDLMHXZHILMSQD-YSZBQJHXSA-N 2 1 363.505 2.962 20 30 FFEDMP C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847030875 1000524510 /nfs/dbraw/zinc/52/45/10/1000524510.db2.gz OMJUSKGLZDPTIL-RTBURBONSA-N 2 1 353.510 2.501 20 30 FFEDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)CC1 ZINC000769536650 1000544548 /nfs/dbraw/zinc/54/45/48/1000544548.db2.gz CEQOPMBUFROVHX-IBGZPJMESA-N 2 1 370.541 2.968 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000746865864 1002241022 /nfs/dbraw/zinc/24/10/22/1002241022.db2.gz LVRREAVMSWRJPQ-GMAHTHKFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000746865864 1002241031 /nfs/dbraw/zinc/24/10/31/1002241031.db2.gz LVRREAVMSWRJPQ-GMAHTHKFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746865864 1002241040 /nfs/dbraw/zinc/24/10/40/1002241040.db2.gz LVRREAVMSWRJPQ-GMAHTHKFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746865864 1002241047 /nfs/dbraw/zinc/24/10/47/1002241047.db2.gz LVRREAVMSWRJPQ-GMAHTHKFSA-N 2 1 365.521 2.599 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092189586 1002481715 /nfs/dbraw/zinc/48/17/15/1002481715.db2.gz GBYNFFGWRZGGDT-BAGYTPMASA-N 2 1 355.526 2.820 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086592647 1002538836 /nfs/dbraw/zinc/53/88/36/1002538836.db2.gz ZXRBNBMMEFTEBE-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086592647 1002538844 /nfs/dbraw/zinc/53/88/44/1002538844.db2.gz ZXRBNBMMEFTEBE-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086592647 1002538852 /nfs/dbraw/zinc/53/88/52/1002538852.db2.gz ZXRBNBMMEFTEBE-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604542 1003214643 /nfs/dbraw/zinc/21/46/43/1003214643.db2.gz LUMLOTFMVFIWTM-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604542 1003214650 /nfs/dbraw/zinc/21/46/50/1003214650.db2.gz LUMLOTFMVFIWTM-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604542 1003214655 /nfs/dbraw/zinc/21/46/55/1003214655.db2.gz LUMLOTFMVFIWTM-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086625030 1003762841 /nfs/dbraw/zinc/76/28/41/1003762841.db2.gz HJSGWTVRAYTZBV-FCHUYYIVSA-N 2 1 361.489 2.579 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086625030 1003762846 /nfs/dbraw/zinc/76/28/46/1003762846.db2.gz HJSGWTVRAYTZBV-FCHUYYIVSA-N 2 1 361.489 2.579 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001489208964 1005433690 /nfs/dbraw/zinc/43/36/90/1005433690.db2.gz JBONOTKUTJSRMX-RTWAWAEBSA-N 2 1 355.526 2.865 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001489208964 1005433692 /nfs/dbraw/zinc/43/36/92/1005433692.db2.gz JBONOTKUTJSRMX-RTWAWAEBSA-N 2 1 355.526 2.865 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001489208964 1005433693 /nfs/dbraw/zinc/43/36/93/1005433693.db2.gz JBONOTKUTJSRMX-RTWAWAEBSA-N 2 1 355.526 2.865 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001489208964 1005433695 /nfs/dbraw/zinc/43/36/95/1005433695.db2.gz JBONOTKUTJSRMX-RTWAWAEBSA-N 2 1 355.526 2.865 20 30 FFEDMP CCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000852861748 1006211488 /nfs/dbraw/zinc/21/14/88/1006211488.db2.gz IIMYUIAHCPUQMM-RXVVDRJESA-N 2 1 353.510 2.673 20 30 FFEDMP Cc1ccc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)n1 ZINC000882063884 1006289013 /nfs/dbraw/zinc/28/90/13/1006289013.db2.gz OMCXGCHLNRCJQW-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545007 1007139763 /nfs/dbraw/zinc/13/97/63/1007139763.db2.gz XDWXDCNMHGPPOB-AZUAARDMSA-N 2 1 365.562 2.600 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884378316 1007401662 /nfs/dbraw/zinc/40/16/62/1007401662.db2.gz OSOPQSAFHVSNAZ-DOLPWQRDSA-N 2 1 372.557 2.629 20 30 FFEDMP C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000886361808 1008650895 /nfs/dbraw/zinc/65/08/95/1008650895.db2.gz WFAAWTVDDVPYIO-RTBURBONSA-N 2 1 353.510 2.501 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226213 1010171712 /nfs/dbraw/zinc/17/17/12/1010171712.db2.gz YQTUGLFEFGICBJ-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226213 1010171717 /nfs/dbraw/zinc/17/17/17/1010171717.db2.gz YQTUGLFEFGICBJ-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226213 1010171724 /nfs/dbraw/zinc/17/17/24/1010171724.db2.gz YQTUGLFEFGICBJ-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095406131 1010455344 /nfs/dbraw/zinc/45/53/44/1010455344.db2.gz MZDGFBQOCAOZNZ-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095406131 1010455349 /nfs/dbraw/zinc/45/53/49/1010455349.db2.gz MZDGFBQOCAOZNZ-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001095406131 1010455354 /nfs/dbraw/zinc/45/53/54/1010455354.db2.gz MZDGFBQOCAOZNZ-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001095406131 1010455360 /nfs/dbraw/zinc/45/53/60/1010455360.db2.gz MZDGFBQOCAOZNZ-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)s1 ZINC001110148415 1010466406 /nfs/dbraw/zinc/46/64/06/1010466406.db2.gz ZNHPRDNVMWJGSY-MNEFBYGVSA-N 2 1 372.538 2.717 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)s1 ZINC001110148415 1010466417 /nfs/dbraw/zinc/46/64/17/1010466417.db2.gz ZNHPRDNVMWJGSY-MNEFBYGVSA-N 2 1 372.538 2.717 20 30 FFEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927974 1011123108 /nfs/dbraw/zinc/12/31/08/1011123108.db2.gz STULCVQXPYALPE-QGCDCVKKSA-N 2 1 374.488 2.697 20 30 FFEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867927974 1011123111 /nfs/dbraw/zinc/12/31/11/1011123111.db2.gz STULCVQXPYALPE-QGCDCVKKSA-N 2 1 374.488 2.697 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC001094548408 1011270502 /nfs/dbraw/zinc/27/05/02/1011270502.db2.gz XHZYTYOJTDQAKF-TZIWHRDSSA-N 2 1 365.481 2.818 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)CCC[C@@H]12 ZINC001094548408 1011270516 /nfs/dbraw/zinc/27/05/16/1011270516.db2.gz XHZYTYOJTDQAKF-TZIWHRDSSA-N 2 1 365.481 2.818 20 30 FFEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001172480288 1011812620 /nfs/dbraw/zinc/81/26/20/1011812620.db2.gz OALAEOGHDDBMMP-BBWFWOEESA-N 2 1 350.507 2.600 20 30 FFEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001172480288 1011812634 /nfs/dbraw/zinc/81/26/34/1011812634.db2.gz OALAEOGHDDBMMP-BBWFWOEESA-N 2 1 350.507 2.600 20 30 FFEDMP CCCCCCCCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275118734 1011961417 /nfs/dbraw/zinc/96/14/17/1011961417.db2.gz HJULPCKQTOESIZ-OAQYLSRUSA-N 2 1 367.578 2.992 20 30 FFEDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172970616 1012139524 /nfs/dbraw/zinc/13/95/24/1012139524.db2.gz IBPFCEIMWOGPRX-BBWFWOEESA-N 2 1 350.507 2.600 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001275307839 1012259315 /nfs/dbraw/zinc/25/93/15/1012259315.db2.gz JBFUQLCNULICFM-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C#N)c1Cl ZINC001275307839 1012259332 /nfs/dbraw/zinc/25/93/32/1012259332.db2.gz JBFUQLCNULICFM-FQEVSTJZSA-N 2 1 374.916 2.730 20 30 FFEDMP CCc1cccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000303780230 1012429122 /nfs/dbraw/zinc/42/91/22/1012429122.db2.gz LEPHPPSSLXXGRS-UHFFFAOYSA-N 2 1 365.525 2.923 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000304760074 1012862925 /nfs/dbraw/zinc/86/29/25/1012862925.db2.gz RWGJQKXWOIRGGI-FUHWJXTLSA-N 2 1 361.534 2.784 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000304753099 1012863556 /nfs/dbraw/zinc/86/35/56/1012863556.db2.gz KWUDFUUVALMFEU-OAHLLOKOSA-N 2 1 356.470 2.951 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000304753099 1012863578 /nfs/dbraw/zinc/86/35/78/1012863578.db2.gz KWUDFUUVALMFEU-OAHLLOKOSA-N 2 1 356.470 2.951 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000828478346 1032717745 /nfs/dbraw/zinc/71/77/45/1032717745.db2.gz SJNZRMDPZNVZOY-NRFANRHFSA-N 2 1 367.537 2.545 20 30 FFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893703 1018317977 /nfs/dbraw/zinc/31/79/77/1018317977.db2.gz JXOBDWZDKLDNOB-ADAARDCZSA-N 2 1 353.510 2.629 20 30 FFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893703 1018317987 /nfs/dbraw/zinc/31/79/87/1018317987.db2.gz JXOBDWZDKLDNOB-ADAARDCZSA-N 2 1 353.510 2.629 20 30 FFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893703 1018318001 /nfs/dbraw/zinc/31/80/01/1018318001.db2.gz JXOBDWZDKLDNOB-ADAARDCZSA-N 2 1 353.510 2.629 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110942488 1018894043 /nfs/dbraw/zinc/89/40/43/1018894043.db2.gz OKAXEXUKHBOEEX-YSTOQKLRSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110942488 1018894057 /nfs/dbraw/zinc/89/40/57/1018894057.db2.gz OKAXEXUKHBOEEX-YSTOQKLRSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942488 1018894074 /nfs/dbraw/zinc/89/40/74/1018894074.db2.gz OKAXEXUKHBOEEX-YSTOQKLRSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942488 1018894080 /nfs/dbraw/zinc/89/40/80/1018894080.db2.gz OKAXEXUKHBOEEX-YSTOQKLRSA-N 2 1 363.546 2.564 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000901354571 1018996215 /nfs/dbraw/zinc/99/62/15/1018996215.db2.gz LVAWYEXVCKVEMD-WOJBJXKFSA-N 2 1 357.498 2.597 20 30 FFEDMP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047243184 1019055589 /nfs/dbraw/zinc/05/55/89/1019055589.db2.gz XINHDQVVDVODCI-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095518 1020318141 /nfs/dbraw/zinc/31/81/41/1020318141.db2.gz WGUGRPMTXKRYAE-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095518 1020318147 /nfs/dbraw/zinc/31/81/47/1020318147.db2.gz WGUGRPMTXKRYAE-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095518 1020318163 /nfs/dbraw/zinc/31/81/63/1020318163.db2.gz WGUGRPMTXKRYAE-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095518 1020318171 /nfs/dbraw/zinc/31/81/71/1020318171.db2.gz WGUGRPMTXKRYAE-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP C=C(C)C[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001048627218 1020379822 /nfs/dbraw/zinc/37/98/22/1020379822.db2.gz HFUFJULUSNMMNO-WIYYLYMNSA-N 2 1 370.541 2.791 20 30 FFEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837445 1021219109 /nfs/dbraw/zinc/21/91/09/1021219109.db2.gz QFUXHEXVDAQSNQ-DXIQSLLYSA-N 2 1 357.542 2.635 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837445 1021219116 /nfs/dbraw/zinc/21/91/16/1021219116.db2.gz QFUXHEXVDAQSNQ-DXIQSLLYSA-N 2 1 357.542 2.635 20 30 FFEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837445 1021219127 /nfs/dbraw/zinc/21/91/27/1021219127.db2.gz QFUXHEXVDAQSNQ-DXIQSLLYSA-N 2 1 357.542 2.635 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098873126 1021288938 /nfs/dbraw/zinc/28/89/38/1021288938.db2.gz KTRUDFCYXZHYNJ-AOIWGVFYSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098873126 1021288947 /nfs/dbraw/zinc/28/89/47/1021288947.db2.gz KTRUDFCYXZHYNJ-AOIWGVFYSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873126 1021288954 /nfs/dbraw/zinc/28/89/54/1021288954.db2.gz KTRUDFCYXZHYNJ-AOIWGVFYSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873126 1021288962 /nfs/dbraw/zinc/28/89/62/1021288962.db2.gz KTRUDFCYXZHYNJ-AOIWGVFYSA-N 2 1 353.938 2.688 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CC(C)(C)C2)C3)CC1 ZINC001099174097 1021999342 /nfs/dbraw/zinc/99/93/42/1021999342.db2.gz CTJIBFCAACCAQY-REWPJTCUSA-N 2 1 371.569 2.739 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147133 1022096687 /nfs/dbraw/zinc/09/66/87/1022096687.db2.gz PZEDYAAOYHTFPD-WTGUMLROSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147133 1022096706 /nfs/dbraw/zinc/09/67/06/1022096706.db2.gz PZEDYAAOYHTFPD-WTGUMLROSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099261216 1022184211 /nfs/dbraw/zinc/18/42/11/1022184211.db2.gz QOSXOWQNGHFYEM-BZUAXINKSA-N 2 1 361.452 2.519 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265736 1022190553 /nfs/dbraw/zinc/19/05/53/1022190553.db2.gz PHGBTIIQZBEHFJ-BFHYXJOUSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265736 1022190563 /nfs/dbraw/zinc/19/05/63/1022190563.db2.gz PHGBTIIQZBEHFJ-BFHYXJOUSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C1CC[NH2+]C[C@@H]1Oc1nc(C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001218208511 1033050429 /nfs/dbraw/zinc/05/04/29/1033050429.db2.gz NKJNNKWNWAFELO-FQEVSTJZSA-N 2 1 350.466 2.640 20 30 FFEDMP C=C1CC[NH2+]C[C@@H]1Oc1nc(C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001218208511 1033050440 /nfs/dbraw/zinc/05/04/40/1033050440.db2.gz NKJNNKWNWAFELO-FQEVSTJZSA-N 2 1 350.466 2.640 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363259 1033123551 /nfs/dbraw/zinc/12/35/51/1033123551.db2.gz NOEUMGBMJOKPJA-GBESFXJTSA-N 2 1 363.546 2.517 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796846 1023375104 /nfs/dbraw/zinc/37/51/04/1023375104.db2.gz SBICHTLHIBHKHR-VSKRKVRLSA-N 2 1 367.537 2.668 20 30 FFEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796846 1023375113 /nfs/dbraw/zinc/37/51/13/1023375113.db2.gz SBICHTLHIBHKHR-VSKRKVRLSA-N 2 1 367.537 2.668 20 30 FFEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796846 1023375124 /nfs/dbraw/zinc/37/51/24/1023375124.db2.gz SBICHTLHIBHKHR-VSKRKVRLSA-N 2 1 367.537 2.668 20 30 FFEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001121715027 1023942129 /nfs/dbraw/zinc/94/21/29/1023942129.db2.gz MULIFKBTISZWJS-UHFFFAOYSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218644967 1033260298 /nfs/dbraw/zinc/26/02/98/1033260298.db2.gz AVSHEPZGOKBIRZ-RBUKOAKNSA-N 2 1 365.562 2.622 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218644967 1033260316 /nfs/dbraw/zinc/26/03/16/1033260316.db2.gz AVSHEPZGOKBIRZ-RBUKOAKNSA-N 2 1 365.562 2.622 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218644967 1033260329 /nfs/dbraw/zinc/26/03/29/1033260329.db2.gz AVSHEPZGOKBIRZ-RBUKOAKNSA-N 2 1 365.562 2.622 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000245556275 1025454292 /nfs/dbraw/zinc/45/42/92/1025454292.db2.gz IZJSJOHHQCXGPX-VAMGGRTRSA-N 2 1 370.541 2.968 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214897 1025595548 /nfs/dbraw/zinc/59/55/48/1025595548.db2.gz FOEHDSRBMWPMMQ-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507282 1026158028 /nfs/dbraw/zinc/15/80/28/1026158028.db2.gz VMPYZAAOHRHQKG-MDYRTPRTSA-N 2 1 363.933 2.900 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600129 1026398301 /nfs/dbraw/zinc/39/83/01/1026398301.db2.gz OCIBFGFYNATQIG-KBAYOESNSA-N 2 1 355.954 2.934 20 30 FFEDMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000719927859 1026702330 /nfs/dbraw/zinc/70/23/30/1026702330.db2.gz VAYQKNBHRKPASL-WOJBJXKFSA-N 2 1 356.514 2.911 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268468 1027131361 /nfs/dbraw/zinc/13/13/61/1027131361.db2.gz ZBMMPQGYDIQPPX-ZTFGCOKTSA-N 2 1 353.938 2.688 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376362 1027345953 /nfs/dbraw/zinc/34/59/53/1027345953.db2.gz XJAHVJXVPZKIHI-QRQLOZEOSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376362 1027345970 /nfs/dbraw/zinc/34/59/70/1027345970.db2.gz XJAHVJXVPZKIHI-QRQLOZEOSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376210 1027346724 /nfs/dbraw/zinc/34/67/24/1027346724.db2.gz PCKSRNYDIDPZKK-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376210 1027346741 /nfs/dbraw/zinc/34/67/41/1027346741.db2.gz PCKSRNYDIDPZKK-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001103542607 1027657902 /nfs/dbraw/zinc/65/79/02/1027657902.db2.gz PJKAVAVHVOQFGP-WOJBJXKFSA-N 2 1 367.578 2.775 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103542607 1027657908 /nfs/dbraw/zinc/65/79/08/1027657908.db2.gz PJKAVAVHVOQFGP-WOJBJXKFSA-N 2 1 367.578 2.775 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103542607 1027657916 /nfs/dbraw/zinc/65/79/16/1027657916.db2.gz PJKAVAVHVOQFGP-WOJBJXKFSA-N 2 1 367.578 2.775 20 30 FFEDMP N#Cc1c(Cl)c2ccccc2nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155381945 1028709289 /nfs/dbraw/zinc/70/92/89/1028709289.db2.gz IRTFMAJRJZNHLF-CQSZACIVSA-N 2 1 355.873 2.619 20 30 FFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001163027196 1028764021 /nfs/dbraw/zinc/76/40/21/1028764021.db2.gz JOYKKORYFZQPLH-GOSISDBHSA-N 2 1 352.486 2.706 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112115965 1030038284 /nfs/dbraw/zinc/03/82/84/1030038284.db2.gz AZKSTGDRUHRKBN-FVQBIDKESA-N 2 1 361.452 2.804 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC/C=C/CC)C1 ZINC001112404063 1030753125 /nfs/dbraw/zinc/75/31/25/1030753125.db2.gz DOCKUUAFGUINAZ-YVWWCUHHSA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC/C=C/CC)C1 ZINC001112404063 1030753137 /nfs/dbraw/zinc/75/31/37/1030753137.db2.gz DOCKUUAFGUINAZ-YVWWCUHHSA-N 2 1 357.542 2.659 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798405838 1031398329 /nfs/dbraw/zinc/39/83/29/1031398329.db2.gz AFRYQHIERDSOHV-QFIPXVFZSA-N 2 1 370.541 2.848 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456164 1031759671 /nfs/dbraw/zinc/75/96/71/1031759671.db2.gz IVRJSHSSSMTUFN-YSIASYRMSA-N 2 1 359.489 2.628 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205619612 1031875265 /nfs/dbraw/zinc/87/52/65/1031875265.db2.gz JLTGHLMBJZYULA-CEWLAPEOSA-N 2 1 371.500 2.607 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001226831105 1034857292 /nfs/dbraw/zinc/85/72/92/1034857292.db2.gz OEADKEXHZDCISZ-WOJBJXKFSA-N 2 1 354.498 2.560 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001228595029 1036194591 /nfs/dbraw/zinc/19/45/91/1036194591.db2.gz QUXUMFKDSSKTPC-DUXKGJEZSA-N 2 1 371.500 2.679 20 30 FFEDMP C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)C1=O ZINC001277817322 1036812563 /nfs/dbraw/zinc/81/25/63/1036812563.db2.gz JYZYTDYHELRNIW-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C=CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767588 1037348698 /nfs/dbraw/zinc/34/86/98/1037348698.db2.gz YCKQURBJNSMRII-VQTJNVASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767588 1037348707 /nfs/dbraw/zinc/34/87/07/1037348707.db2.gz YCKQURBJNSMRII-VQTJNVASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230767588 1037348721 /nfs/dbraw/zinc/34/87/21/1037348721.db2.gz YCKQURBJNSMRII-VQTJNVASSA-N 2 1 358.530 2.696 20 30 FFEDMP C#C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001235945244 1037849109 /nfs/dbraw/zinc/84/91/09/1037849109.db2.gz CDEKCHHPXINXAR-HNNXBMFYSA-N 2 1 362.315 2.704 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(C#N)s2)CC3)cc1C#N ZINC001278925654 1038464511 /nfs/dbraw/zinc/46/45/11/1038464511.db2.gz IOBCXUJJPLTRLI-UHFFFAOYSA-N 2 1 365.506 2.928 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cccnc2OC(C)C)CC1 ZINC001208800955 1038537948 /nfs/dbraw/zinc/53/79/48/1038537948.db2.gz GGSNCSLLLCKSNU-UHFFFAOYSA-N 2 1 372.557 2.703 20 30 FFEDMP C#CCCN1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528682 1038546360 /nfs/dbraw/zinc/54/63/60/1038546360.db2.gz JMONPJFOWWGIMI-TYPHKJRUSA-N 2 1 353.510 2.643 20 30 FFEDMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)C(C)C ZINC001209585870 1039021522 /nfs/dbraw/zinc/02/15/22/1039021522.db2.gz RODHKSIIBAINTR-CEMLEFRQSA-N 2 1 369.553 2.841 20 30 FFEDMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)C(C)C ZINC001209585870 1039021531 /nfs/dbraw/zinc/02/15/31/1039021531.db2.gz RODHKSIIBAINTR-CEMLEFRQSA-N 2 1 369.553 2.841 20 30 FFEDMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)C(C)C ZINC001209585682 1039022196 /nfs/dbraw/zinc/02/21/96/1039022196.db2.gz PSBILIJYOZHTMR-UIFIKXQLSA-N 2 1 370.541 2.861 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001246060461 1039228265 /nfs/dbraw/zinc/22/82/65/1039228265.db2.gz PHNUKSUVONHJBX-MSOLQXFVSA-N 2 1 354.535 2.573 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001252126169 1039439633 /nfs/dbraw/zinc/43/96/33/1039439633.db2.gz MFBQUPNLETYOFW-SFHVURJKSA-N 2 1 374.533 2.840 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700249 1039441995 /nfs/dbraw/zinc/44/19/95/1039441995.db2.gz ITLQKPMZJXXCSP-RQGSJKACSA-N 2 1 353.510 2.631 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700249 1039442003 /nfs/dbraw/zinc/44/20/03/1039442003.db2.gz ITLQKPMZJXXCSP-RQGSJKACSA-N 2 1 353.510 2.631 20 30 FFEDMP N#Cc1cccc(Br)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267158 1039459641 /nfs/dbraw/zinc/45/96/41/1039459641.db2.gz VLMFLKOIMSSILM-UHFFFAOYSA-N 2 1 358.243 2.869 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727828 1039492232 /nfs/dbraw/zinc/49/22/32/1039492232.db2.gz JLISJZZVNJIRAL-GHTZIAJQSA-N 2 1 373.545 2.816 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727828 1039492234 /nfs/dbraw/zinc/49/22/34/1039492234.db2.gz JLISJZZVNJIRAL-GHTZIAJQSA-N 2 1 373.545 2.816 20 30 FFEDMP N#Cc1ccc(F)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247908370 1040038019 /nfs/dbraw/zinc/03/80/19/1040038019.db2.gz ZEJMKCJKVRYSMX-AWEZNQCLSA-N 2 1 355.417 2.679 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213129349 1040263255 /nfs/dbraw/zinc/26/32/55/1040263255.db2.gz PRWLLJFDDBKCMA-RTBURBONSA-N 2 1 356.470 2.510 20 30 FFEDMP N#Cc1cc(Cl)c(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)cc1Cl ZINC001249328644 1040686428 /nfs/dbraw/zinc/68/64/28/1040686428.db2.gz ZLSFODNENRVILD-ZDUSSCGKSA-N 2 1 352.225 2.914 20 30 FFEDMP C#CCCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132110 1041165549 /nfs/dbraw/zinc/16/55/49/1041165549.db2.gz RQSYZRWOQWINSA-CIAFKFPVSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CCCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132110 1041165556 /nfs/dbraw/zinc/16/55/56/1041165556.db2.gz RQSYZRWOQWINSA-CIAFKFPVSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264448351 1042675979 /nfs/dbraw/zinc/67/59/79/1042675979.db2.gz XUPKDSXGIMMZKX-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)c1 ZINC001279225664 1042952682 /nfs/dbraw/zinc/95/26/82/1042952682.db2.gz BJMVXMOUHAVRHA-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)c1 ZINC001279225664 1042952684 /nfs/dbraw/zinc/95/26/84/1042952684.db2.gz BJMVXMOUHAVRHA-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)c1 ZINC001279225664 1042952687 /nfs/dbraw/zinc/95/26/87/1042952687.db2.gz BJMVXMOUHAVRHA-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP COC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279266896 1042974685 /nfs/dbraw/zinc/97/46/85/1042974685.db2.gz JWPZCRWTKIDTNC-KDURUIRLSA-N 2 1 358.530 2.856 20 30 FFEDMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279266896 1042974687 /nfs/dbraw/zinc/97/46/87/1042974687.db2.gz JWPZCRWTKIDTNC-KDURUIRLSA-N 2 1 358.530 2.856 20 30 FFEDMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279266896 1042974690 /nfs/dbraw/zinc/97/46/90/1042974690.db2.gz JWPZCRWTKIDTNC-KDURUIRLSA-N 2 1 358.530 2.856 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001237250345 1043074421 /nfs/dbraw/zinc/07/44/21/1043074421.db2.gz VRBYGCUYPCVHIT-GOSISDBHSA-N 2 1 368.481 2.621 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CC4(C)COC4)CC3)C2)cc1C#N ZINC001279460745 1043142706 /nfs/dbraw/zinc/14/27/06/1043142706.db2.gz YHYUBRMALBALEK-UHFFFAOYSA-N 2 1 356.514 2.611 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC001279762827 1043604190 /nfs/dbraw/zinc/60/41/90/1043604190.db2.gz WHAIWGSTHWFXJZ-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC001279762827 1043604197 /nfs/dbraw/zinc/60/41/97/1043604197.db2.gz WHAIWGSTHWFXJZ-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP C=CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCCC(F)(F)F)C[C@@H]12 ZINC001278253733 1043781412 /nfs/dbraw/zinc/78/14/12/1043781412.db2.gz LUFCNOJERLAJOU-HOTGVXAUSA-N 2 1 373.463 2.808 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001316800695 1045028200 /nfs/dbraw/zinc/02/82/00/1045028200.db2.gz ZDYPWBIEWXHZSM-XLIONFOSSA-N 2 1 354.498 2.513 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001316800695 1045028214 /nfs/dbraw/zinc/02/82/14/1045028214.db2.gz ZDYPWBIEWXHZSM-XLIONFOSSA-N 2 1 354.498 2.513 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343967457 1052518458 /nfs/dbraw/zinc/51/84/58/1052518458.db2.gz YYSMLNPAQGTZFY-RBUKOAKNSA-N 2 1 372.561 2.728 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001345994579 1052699278 /nfs/dbraw/zinc/69/92/78/1052699278.db2.gz SDMWLWXZEUMYLK-PKOBYXMFSA-N 2 1 374.577 2.830 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC001335440986 1053365679 /nfs/dbraw/zinc/36/56/79/1053365679.db2.gz OANSNFCHXAMSGR-CYXJOQHWSA-N 2 1 372.509 2.545 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000849050104 1055599437 /nfs/dbraw/zinc/59/94/37/1055599437.db2.gz OLUYNVCQANIZID-LJQANCHMSA-N 2 1 356.470 2.790 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC001356609908 1055612011 /nfs/dbraw/zinc/61/20/11/1055612011.db2.gz GYJBNAPWJJPUIZ-HNNXBMFYSA-N 2 1 371.308 2.810 20 30 FFEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200554128 1058558883 /nfs/dbraw/zinc/55/88/83/1058558883.db2.gz GCXXNNZFZDKEQI-SLFFLAALSA-N 2 1 367.578 2.894 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479625251 1062638952 /nfs/dbraw/zinc/63/89/52/1062638952.db2.gz VWLVBEVQBLXVAQ-NJDAHSKKSA-N 2 1 355.526 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479625251 1062638962 /nfs/dbraw/zinc/63/89/62/1062638962.db2.gz VWLVBEVQBLXVAQ-NJDAHSKKSA-N 2 1 355.526 2.714 20 30 FFEDMP C=CC[C@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC[NH2+]1 ZINC001574893444 1078090784 /nfs/dbraw/zinc/09/07/84/1078090784.db2.gz WUGDUGSYEYMXAL-RZUBCFFCSA-N 2 1 353.510 2.665 20 30 FFEDMP C=CCC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001574890321 1078090871 /nfs/dbraw/zinc/09/08/71/1078090871.db2.gz XGHWFMBKNQQPDN-MSOLQXFVSA-N 2 1 372.561 2.979 20 30 FFEDMP C=CCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001574927164 1078093900 /nfs/dbraw/zinc/09/39/00/1078093900.db2.gz FWFZEMHLVQFXQW-KURKYZTESA-N 2 1 360.550 2.760 20 30 FFEDMP C=CCN(c1nnc([C@@H]2CCC[NH2+]C2)n1CC[N@H+](C)[C@H](C)CC)C1CC1 ZINC001574936408 1078094661 /nfs/dbraw/zinc/09/46/61/1078094661.db2.gz VCAYXBGZYWQMKN-IAGOWNOFSA-N 2 1 360.550 2.630 20 30 FFEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575051864 1078101745 /nfs/dbraw/zinc/10/17/45/1078101745.db2.gz VFDGWPMCKAHICD-BZUAXINKSA-N 2 1 360.527 2.794 20 30 FFEDMP C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473487948 1065272065 /nfs/dbraw/zinc/27/20/65/1065272065.db2.gz BQKBLYQZKVOKPQ-QUCCMNQESA-N 2 1 361.917 2.985 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074130140 507990007 /nfs/dbraw/zinc/99/00/07/507990007.db2.gz MSDWJQRFEWVDRO-OAQYLSRUSA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000106263870 508398799 /nfs/dbraw/zinc/39/87/99/508398799.db2.gz HULGESUUDRAKJG-GOSISDBHSA-N 2 1 350.551 2.981 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000137461437 508757514 /nfs/dbraw/zinc/75/75/14/508757514.db2.gz XWNGQXGEWJEZQK-KRWDZBQOSA-N 2 1 359.514 2.963 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377721728 512418903 /nfs/dbraw/zinc/41/89/03/512418903.db2.gz UJWQCRDSIHFVGE-OKCRPCIYSA-N 2 1 368.525 2.720 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377721728 512418905 /nfs/dbraw/zinc/41/89/05/512418905.db2.gz UJWQCRDSIHFVGE-OKCRPCIYSA-N 2 1 368.525 2.720 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597723 509383197 /nfs/dbraw/zinc/38/31/97/509383197.db2.gz UDEXHAXPNFJTRQ-ILZDJORESA-N 2 1 357.498 2.541 20 30 FFEDMP C[NH+](C)[C@]1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCSC1 ZINC000269591890 510474908 /nfs/dbraw/zinc/47/49/08/510474908.db2.gz DUEWLQBBZZOTME-AWEZNQCLSA-N 2 1 362.421 2.749 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247001436 510792357 /nfs/dbraw/zinc/79/23/57/510792357.db2.gz WXLRMLWIJSZUSE-PKOBYXMFSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247001436 510792365 /nfs/dbraw/zinc/79/23/65/510792365.db2.gz WXLRMLWIJSZUSE-PKOBYXMFSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247001436 510792374 /nfs/dbraw/zinc/79/23/74/510792374.db2.gz WXLRMLWIJSZUSE-PKOBYXMFSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247001436 510792382 /nfs/dbraw/zinc/79/23/82/510792382.db2.gz WXLRMLWIJSZUSE-PKOBYXMFSA-N 2 1 355.482 2.894 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329934554 510881423 /nfs/dbraw/zinc/88/14/23/510881423.db2.gz CASPXEPCPBWTFY-BBWFWOEESA-N 2 1 361.534 2.706 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329934554 510881428 /nfs/dbraw/zinc/88/14/28/510881428.db2.gz CASPXEPCPBWTFY-BBWFWOEESA-N 2 1 361.534 2.706 20 30 FFEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278648385 511002120 /nfs/dbraw/zinc/00/21/20/511002120.db2.gz MBTVKCKCKHVZPQ-UHFFFAOYSA-N 2 1 363.469 2.934 20 30 FFEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278708823 511004625 /nfs/dbraw/zinc/00/46/25/511004625.db2.gz RPMAKIJGLYHWMA-KRWDZBQOSA-N 2 1 352.486 2.680 20 30 FFEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1CC[NH+](C)CC1 ZINC000279338503 511049392 /nfs/dbraw/zinc/04/93/92/511049392.db2.gz DRROGWFMJRMIPR-UHFFFAOYSA-N 2 1 352.486 2.632 20 30 FFEDMP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328600077 511889481 /nfs/dbraw/zinc/88/94/81/511889481.db2.gz CSSBCZORLWXFJY-WMZOPIPTSA-N 2 1 359.518 2.746 20 30 FFEDMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328600077 511889488 /nfs/dbraw/zinc/88/94/88/511889488.db2.gz CSSBCZORLWXFJY-WMZOPIPTSA-N 2 1 359.518 2.746 20 30 FFEDMP O=C(NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328851117 511941010 /nfs/dbraw/zinc/94/10/10/511941010.db2.gz UXBDXHSNEYFYGN-PCCBWWKXSA-N 2 1 371.525 2.985 20 30 FFEDMP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000328851117 511941011 /nfs/dbraw/zinc/94/10/11/511941011.db2.gz UXBDXHSNEYFYGN-PCCBWWKXSA-N 2 1 371.525 2.985 20 30 FFEDMP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000328851117 511941012 /nfs/dbraw/zinc/94/10/12/511941012.db2.gz UXBDXHSNEYFYGN-PCCBWWKXSA-N 2 1 371.525 2.985 20 30 FFEDMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3nc(CN4CCCCC4)cs3)[C@@H]2C1 ZINC000329227084 512009404 /nfs/dbraw/zinc/00/94/04/512009404.db2.gz AVVCQHRDUOCSGV-GOEBONIOSA-N 2 1 363.531 2.701 20 30 FFEDMP C[C@H](NC([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1=CC[N@@H+](C)CC1 ZINC000329324039 512028071 /nfs/dbraw/zinc/02/80/71/512028071.db2.gz VJRVZOQULVCLKP-GOEBONIOSA-N 2 1 359.518 2.649 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000421348618 513232076 /nfs/dbraw/zinc/23/20/76/513232076.db2.gz WOAMZEOJOZIDSP-HXUWFJFHSA-N 2 1 353.441 2.944 20 30 FFEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000425536606 513626754 /nfs/dbraw/zinc/62/67/54/513626754.db2.gz OWRBXWRVMSOBFR-DYESRHJHSA-N 2 1 364.493 2.970 20 30 FFEDMP C=CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414893707 514345055 /nfs/dbraw/zinc/34/50/55/514345055.db2.gz YRMBVFWOYAWLAC-UHFFFAOYSA-N 2 1 355.276 2.994 20 30 FFEDMP C=CCN1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433065713 514367799 /nfs/dbraw/zinc/36/77/99/514367799.db2.gz DFSVOOABXRXBBH-FQEVSTJZSA-N 2 1 353.510 2.761 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000424133548 514393928 /nfs/dbraw/zinc/39/39/28/514393928.db2.gz JRPBUXTYINDSRL-HXUWFJFHSA-N 2 1 350.466 2.505 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915316 514830618 /nfs/dbraw/zinc/83/06/18/514830618.db2.gz HGIBAFJFWIUDSO-IBGZPJMESA-N 2 1 357.502 2.632 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000578680126 518323908 /nfs/dbraw/zinc/32/39/08/518323908.db2.gz CUUXCQRRKKRCJE-IYBDPMFKSA-N 2 1 363.527 2.710 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000578680126 518323912 /nfs/dbraw/zinc/32/39/12/518323912.db2.gz CUUXCQRRKKRCJE-IYBDPMFKSA-N 2 1 363.527 2.710 20 30 FFEDMP COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1C#N ZINC000581527208 518327618 /nfs/dbraw/zinc/32/76/18/518327618.db2.gz MIURWEFARCFISX-SFHVURJKSA-N 2 1 370.522 2.707 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cccc(C#N)c3)CC2)CC1 ZINC000564347866 518410557 /nfs/dbraw/zinc/41/05/57/518410557.db2.gz IASJYGIBQKDTCY-UHFFFAOYSA-N 2 1 354.498 2.717 20 30 FFEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000590052001 519138178 /nfs/dbraw/zinc/13/81/78/519138178.db2.gz QCYGVUTWSRCZEA-HXUWFJFHSA-N 2 1 366.465 2.547 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000594438132 519963608 /nfs/dbraw/zinc/96/36/08/519963608.db2.gz MLWGOQNXWOHEBG-NXEWRWPSSA-N 2 1 354.498 2.709 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440544 519966353 /nfs/dbraw/zinc/96/63/53/519966353.db2.gz FCDRWXGLHSTBEE-FXAWDEMLSA-N 2 1 356.514 2.946 20 30 FFEDMP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000592471133 520403908 /nfs/dbraw/zinc/40/39/08/520403908.db2.gz ZGRQBQRRPDPHLF-JRGKDQQJSA-N 2 1 369.509 2.995 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000600736958 520435394 /nfs/dbraw/zinc/43/53/94/520435394.db2.gz TZDDNHIFVQYSQA-IVAOSVALSA-N 2 1 353.510 2.931 20 30 FFEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503748 520514772 /nfs/dbraw/zinc/51/47/72/520514772.db2.gz BGKHIJQGUSWUKN-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503748 520514781 /nfs/dbraw/zinc/51/47/81/520514781.db2.gz BGKHIJQGUSWUKN-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503748 520514787 /nfs/dbraw/zinc/51/47/87/520514787.db2.gz BGKHIJQGUSWUKN-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503748 520514794 /nfs/dbraw/zinc/51/47/94/520514794.db2.gz BGKHIJQGUSWUKN-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616067 520594791 /nfs/dbraw/zinc/59/47/91/520594791.db2.gz OOXLTCCTCGLLDZ-UYAOXDASSA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616067 520594797 /nfs/dbraw/zinc/59/47/97/520594797.db2.gz OOXLTCCTCGLLDZ-UYAOXDASSA-N 2 1 368.525 2.781 20 30 FFEDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000593724250 521175817 /nfs/dbraw/zinc/17/58/17/521175817.db2.gz BMUXBGPAEMBBPP-FDFHNCONSA-N 3 1 352.526 2.985 20 30 FFEDMP CN1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000593724250 521175823 /nfs/dbraw/zinc/17/58/23/521175823.db2.gz BMUXBGPAEMBBPP-FDFHNCONSA-N 3 1 352.526 2.985 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000596689256 521222440 /nfs/dbraw/zinc/22/24/40/521222440.db2.gz IBAALQZDJWTGSO-IRXDYDNUSA-N 2 1 359.518 2.533 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000596689256 521222442 /nfs/dbraw/zinc/22/24/42/521222442.db2.gz IBAALQZDJWTGSO-IRXDYDNUSA-N 2 1 359.518 2.533 20 30 FFEDMP CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000104166780 728500925 /nfs/dbraw/zinc/50/09/25/728500925.db2.gz LQFQDFWCMQQVGD-IRXDYDNUSA-N 2 1 351.564 2.520 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129256549 728710852 /nfs/dbraw/zinc/71/08/52/728710852.db2.gz XGGZNZNQTRRLEN-CUSZFKRNSA-N 2 1 350.551 2.618 20 30 FFEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccc(Cl)s1 ZINC000262772205 729670656 /nfs/dbraw/zinc/67/06/56/729670656.db2.gz JCWWGDNNJFGLJQ-HNNXBMFYSA-N 2 1 360.980 2.846 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644549049 730480948 /nfs/dbraw/zinc/48/09/48/730480948.db2.gz HTUQPVRAPJDDDX-AWEZNQCLSA-N 2 1 359.297 2.973 20 30 FFEDMP N#Cc1csc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000718010893 734375983 /nfs/dbraw/zinc/37/59/83/734375983.db2.gz KUFPHPWNZGCQAI-UHFFFAOYSA-N 2 1 356.495 2.522 20 30 FFEDMP C=CC[C@@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CCC[NH2+]1 ZINC000852873047 749967029 /nfs/dbraw/zinc/96/70/29/749967029.db2.gz OJFLGXLLAILCBD-IBGZPJMESA-N 2 1 362.905 2.729 20 30 FFEDMP CN1CC[N@@H+](CCCNC(=[NH2+])N2CCCCCC2)[C@H](c2ccccc2)C1 ZINC000305081348 1013105046 /nfs/dbraw/zinc/10/50/46/1013105046.db2.gz SILNKBCKJHPYRK-FQEVSTJZSA-N 2 1 357.546 2.556 20 30 FFEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])N2CCCCCC2)[C@H](c2ccccc2)C1 ZINC000305081348 1013105053 /nfs/dbraw/zinc/10/50/53/1013105053.db2.gz SILNKBCKJHPYRK-FQEVSTJZSA-N 2 1 357.546 2.556 20 30 FFEDMP C[N@H+]1CCN(CCCNC(=[NH2+])N2CCCCCC2)[C@H](c2ccccc2)C1 ZINC000305081348 1013105061 /nfs/dbraw/zinc/10/50/61/1013105061.db2.gz SILNKBCKJHPYRK-FQEVSTJZSA-N 2 1 357.546 2.556 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)C[NH+](CCCC(F)(F)F)C2 ZINC001275870261 1013120795 /nfs/dbraw/zinc/12/07/95/1013120795.db2.gz BZNAYONWIYHGFJ-UHFFFAOYSA-N 2 1 359.436 2.515 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001104355342 963908324 /nfs/dbraw/zinc/90/83/24/963908324.db2.gz YBKQQRQYWRJRJQ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087465962 964429855 /nfs/dbraw/zinc/42/98/55/964429855.db2.gz ROZSPSJNNGXLKP-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087465962 964429861 /nfs/dbraw/zinc/42/98/61/964429861.db2.gz ROZSPSJNNGXLKP-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087467603 965116978 /nfs/dbraw/zinc/11/69/78/965116978.db2.gz FUEZOXXBWSWRRP-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087467603 965116987 /nfs/dbraw/zinc/11/69/87/965116987.db2.gz FUEZOXXBWSWRRP-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087467603 965116996 /nfs/dbraw/zinc/11/69/96/965116996.db2.gz FUEZOXXBWSWRRP-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001266939261 965334191 /nfs/dbraw/zinc/33/41/91/965334191.db2.gz DHROAEZSNPEHJN-ZYSHUDEJSA-N 2 1 361.917 2.516 20 30 FFEDMP C=CCCn1cc(CNCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)nn1 ZINC000657300463 965999201 /nfs/dbraw/zinc/99/92/01/965999201.db2.gz FVKGEYLBCWOBCG-HDICACEKSA-N 2 1 369.513 2.753 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001104676841 970086707 /nfs/dbraw/zinc/08/67/07/970086707.db2.gz ZVFGKKACACJYMJ-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000892851925 970330642 /nfs/dbraw/zinc/33/06/42/970330642.db2.gz SIRJDVGWPNHIAZ-CTNGQTDRSA-N 2 1 370.541 2.672 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000305756464 1014167867 /nfs/dbraw/zinc/16/78/67/1014167867.db2.gz AZRSJCPIWVYTHQ-QGZVFWFLSA-N 2 1 360.502 2.531 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530542 975529287 /nfs/dbraw/zinc/52/92/87/975529287.db2.gz ZQKKPGMLWXHNSU-LQWHRVPQSA-N 2 1 356.514 2.548 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087427898 975562039 /nfs/dbraw/zinc/56/20/39/975562039.db2.gz BUBJLTHZGBIMPY-CWJKEVGVSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087427898 975562050 /nfs/dbraw/zinc/56/20/50/975562050.db2.gz BUBJLTHZGBIMPY-CWJKEVGVSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028152094 976938329 /nfs/dbraw/zinc/93/83/29/976938329.db2.gz MOXGVLUKKZDKEB-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152094 976938341 /nfs/dbraw/zinc/93/83/41/976938341.db2.gz MOXGVLUKKZDKEB-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028152094 976938349 /nfs/dbraw/zinc/93/83/49/976938349.db2.gz MOXGVLUKKZDKEB-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087435943 976982763 /nfs/dbraw/zinc/98/27/63/976982763.db2.gz OVWDSLJIDBOKPF-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001087435943 976982768 /nfs/dbraw/zinc/98/27/68/976982768.db2.gz OVWDSLJIDBOKPF-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001087435943 976982773 /nfs/dbraw/zinc/98/27/73/976982773.db2.gz OVWDSLJIDBOKPF-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001087435943 976982778 /nfs/dbraw/zinc/98/27/78/976982778.db2.gz OVWDSLJIDBOKPF-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087435943 976982781 /nfs/dbraw/zinc/98/27/81/976982781.db2.gz OVWDSLJIDBOKPF-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876725213 1014365301 /nfs/dbraw/zinc/36/53/01/1014365301.db2.gz OTPQCMAFMDBFJS-UZLBHIALSA-N 2 1 354.498 2.516 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211707296 977314337 /nfs/dbraw/zinc/31/43/37/977314337.db2.gz KLSBHNWFBQLRIG-ZWKOTPCHSA-N 2 1 352.482 2.848 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001088318192 979144622 /nfs/dbraw/zinc/14/46/22/979144622.db2.gz ZYMDKSUPNZKEQG-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563407 981121682 /nfs/dbraw/zinc/12/16/82/981121682.db2.gz PLNBDDGMIITKAD-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563407 981121684 /nfs/dbraw/zinc/12/16/84/981121684.db2.gz PLNBDDGMIITKAD-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563407 981121690 /nfs/dbraw/zinc/12/16/90/981121690.db2.gz PLNBDDGMIITKAD-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563407 981121691 /nfs/dbraw/zinc/12/16/91/981121691.db2.gz PLNBDDGMIITKAD-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042166 1014761696 /nfs/dbraw/zinc/76/16/96/1014761696.db2.gz JQOWNOSIKSCESR-VSKRKVRLSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042166 1014761705 /nfs/dbraw/zinc/76/17/05/1014761705.db2.gz JQOWNOSIKSCESR-VSKRKVRLSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042166 1014761714 /nfs/dbraw/zinc/76/17/14/1014761714.db2.gz JQOWNOSIKSCESR-VSKRKVRLSA-N 2 1 367.537 2.716 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)CC[N@H+]1C ZINC000995839284 984145255 /nfs/dbraw/zinc/14/52/55/984145255.db2.gz KSKGIBAUKOLHTR-XUVXKRRUSA-N 2 1 368.525 2.615 20 30 FFEDMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001107522664 984623490 /nfs/dbraw/zinc/62/34/90/984623490.db2.gz NHRXEJYLPCJTML-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765442 988989792 /nfs/dbraw/zinc/98/97/92/988989792.db2.gz BVDZNSFKBNBUFY-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@@H+]1C ZINC000940756533 992145388 /nfs/dbraw/zinc/14/53/88/992145388.db2.gz AUICYIGCDVGKPC-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@H+]1C ZINC000940756533 992145393 /nfs/dbraw/zinc/14/53/93/992145393.db2.gz AUICYIGCDVGKPC-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000940756533 992145398 /nfs/dbraw/zinc/14/53/98/992145398.db2.gz AUICYIGCDVGKPC-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000940756533 992145402 /nfs/dbraw/zinc/14/54/02/992145402.db2.gz AUICYIGCDVGKPC-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554603 993160122 /nfs/dbraw/zinc/16/01/22/993160122.db2.gz XLSYKUWTHGSOFN-RZUBCFFCSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554603 993160127 /nfs/dbraw/zinc/16/01/27/993160127.db2.gz XLSYKUWTHGSOFN-RZUBCFFCSA-N 2 1 367.537 2.739 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3CC)C[C@H]2C)CC1 ZINC001080997825 993548628 /nfs/dbraw/zinc/54/86/28/993548628.db2.gz LGAOIUYFRGLFME-XMSQKQJNSA-N 2 1 367.537 2.531 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001081125493 993685570 /nfs/dbraw/zinc/68/55/70/993685570.db2.gz CKXBWFVYDBIETB-PCCBWWKXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001081165910 993714546 /nfs/dbraw/zinc/71/45/46/993714546.db2.gz LTMFUJVEFFOSTQ-QHAWAJNXSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCCOc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000809751908 994604647 /nfs/dbraw/zinc/60/46/47/994604647.db2.gz XMKOBLGHKFBFQA-CBQGHPETSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000809751908 994604650 /nfs/dbraw/zinc/60/46/50/994604650.db2.gz XMKOBLGHKFBFQA-CBQGHPETSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000809751908 994604658 /nfs/dbraw/zinc/60/46/58/994604658.db2.gz XMKOBLGHKFBFQA-CBQGHPETSA-N 2 1 367.537 2.832 20 30 FFEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812993973 995593485 /nfs/dbraw/zinc/59/34/85/995593485.db2.gz DALIKEWTIPFVPS-NRFANRHFSA-N 2 1 374.504 2.661 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3=CCCCC3)[C@H]2C1 ZINC001084960985 998387895 /nfs/dbraw/zinc/38/78/95/998387895.db2.gz DBHRMJLULCZDMD-HKBOAZHASA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3=CCCCC3)[C@H]2C1 ZINC001084960985 998387904 /nfs/dbraw/zinc/38/79/04/998387904.db2.gz DBHRMJLULCZDMD-HKBOAZHASA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001084960985 998387913 /nfs/dbraw/zinc/38/79/13/998387913.db2.gz DBHRMJLULCZDMD-HKBOAZHASA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001084960985 998387922 /nfs/dbraw/zinc/38/79/22/998387922.db2.gz DBHRMJLULCZDMD-HKBOAZHASA-N 2 1 355.526 2.507 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1F ZINC001085229942 999215741 /nfs/dbraw/zinc/21/57/41/999215741.db2.gz SAEFBNOKDRSPFQ-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1F ZINC001085229942 999215749 /nfs/dbraw/zinc/21/57/49/999215749.db2.gz SAEFBNOKDRSPFQ-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086882734 1001300484 /nfs/dbraw/zinc/30/04/84/1001300484.db2.gz ILFNQRXNGQAWCN-HBMCJLEFSA-N 2 1 368.525 2.807 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001112562404 1001481120 /nfs/dbraw/zinc/48/11/20/1001481120.db2.gz WAQHWGVFFSSOBE-FUDKSRODSA-N 2 1 367.537 2.921 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001112590232 1001561036 /nfs/dbraw/zinc/56/10/36/1001561036.db2.gz KXISVWIUZQKARF-UNMCSNQZSA-N 2 1 355.526 2.913 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001112590232 1001561040 /nfs/dbraw/zinc/56/10/40/1001561040.db2.gz KXISVWIUZQKARF-UNMCSNQZSA-N 2 1 355.526 2.913 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@@]3(C)C2)CC1 ZINC001092300621 1002629610 /nfs/dbraw/zinc/62/96/10/1002629610.db2.gz ZOBDXBTZIXMPDQ-GGAORHGYSA-N 2 1 371.569 2.692 20 30 FFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001086609840 1003213644 /nfs/dbraw/zinc/21/36/44/1003213644.db2.gz ZXGQEGGYRJXGTQ-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001086609840 1003213650 /nfs/dbraw/zinc/21/36/50/1003213650.db2.gz ZXGQEGGYRJXGTQ-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001086609840 1003213655 /nfs/dbraw/zinc/21/36/55/1003213655.db2.gz ZXGQEGGYRJXGTQ-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001186196314 1003216813 /nfs/dbraw/zinc/21/68/13/1003216813.db2.gz HDSJMRHEVUNUMJ-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001001424620 1016798939 /nfs/dbraw/zinc/79/89/39/1016798939.db2.gz JHLQUOWZYHHVHK-LEWJYISDSA-N 2 1 368.525 2.617 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001196783188 1003953826 /nfs/dbraw/zinc/95/38/26/1003953826.db2.gz XWPNUNDCPISCNJ-AQNXPRMDSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001196783188 1003953833 /nfs/dbraw/zinc/95/38/33/1003953833.db2.gz XWPNUNDCPISCNJ-AQNXPRMDSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001196783188 1003953838 /nfs/dbraw/zinc/95/38/38/1003953838.db2.gz XWPNUNDCPISCNJ-AQNXPRMDSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001196783188 1003953846 /nfs/dbraw/zinc/95/38/46/1003953846.db2.gz XWPNUNDCPISCNJ-AQNXPRMDSA-N 2 1 368.525 2.822 20 30 FFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445629 1004172448 /nfs/dbraw/zinc/17/24/48/1004172448.db2.gz MXOSZIQPJQPCEM-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445629 1004172456 /nfs/dbraw/zinc/17/24/56/1004172456.db2.gz MXOSZIQPJQPCEM-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445629 1004172459 /nfs/dbraw/zinc/17/24/59/1004172459.db2.gz MXOSZIQPJQPCEM-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001489148127 1005424143 /nfs/dbraw/zinc/42/41/43/1005424143.db2.gz YUPNDHMCJIMUSM-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001489148127 1005424146 /nfs/dbraw/zinc/42/41/46/1005424146.db2.gz YUPNDHMCJIMUSM-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001489148127 1005424148 /nfs/dbraw/zinc/42/41/48/1005424148.db2.gz YUPNDHMCJIMUSM-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001489148127 1005424150 /nfs/dbraw/zinc/42/41/50/1005424150.db2.gz YUPNDHMCJIMUSM-RBUKOAKNSA-N 2 1 360.477 2.507 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001050328190 1016970993 /nfs/dbraw/zinc/97/09/93/1016970993.db2.gz IGGWXUBBTUBEFF-DEPWHIHDSA-N 2 1 368.525 2.663 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357342 1005810802 /nfs/dbraw/zinc/81/08/02/1005810802.db2.gz GKNZGKCVNVXAAQ-NRFANRHFSA-N 2 1 350.462 2.555 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858002 1006210012 /nfs/dbraw/zinc/21/00/12/1006210012.db2.gz MJTHXJXJVQSKDW-GOSISDBHSA-N 2 1 353.510 2.538 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129718192 1006419266 /nfs/dbraw/zinc/41/92/66/1006419266.db2.gz RHFWGJIJMGORSX-YESZJQIVSA-N 2 1 356.514 2.733 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000818584588 1007948841 /nfs/dbraw/zinc/94/88/41/1007948841.db2.gz PTPMYWMHWQTCIY-SFHVURJKSA-N 2 1 356.514 2.565 20 30 FFEDMP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000820489478 1008340870 /nfs/dbraw/zinc/34/08/70/1008340870.db2.gz FXEIPWSDZJGQFU-VQTJNVASSA-N 2 1 374.504 2.558 20 30 FFEDMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)[nH+]c1C ZINC000886659850 1008799437 /nfs/dbraw/zinc/79/94/37/1008799437.db2.gz XABSUZWWCARZEX-GOSISDBHSA-N 2 1 354.454 2.518 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000103337636 1009813880 /nfs/dbraw/zinc/81/38/80/1009813880.db2.gz AEQXAEHHRBARCN-LJQANCHMSA-N 2 1 356.470 2.790 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225386 1010168755 /nfs/dbraw/zinc/16/87/55/1010168755.db2.gz LJCYIRHDLXXXKB-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225386 1010168762 /nfs/dbraw/zinc/16/87/62/1010168762.db2.gz LJCYIRHDLXXXKB-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225386 1010168769 /nfs/dbraw/zinc/16/87/69/1010168769.db2.gz LJCYIRHDLXXXKB-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585180 1011310141 /nfs/dbraw/zinc/31/01/41/1011310141.db2.gz PJTMYZVMOTUMMP-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC001172176844 1011684912 /nfs/dbraw/zinc/68/49/12/1011684912.db2.gz WDKWGHIMMJPFKU-XSDIEEQYSA-N 2 1 366.509 2.784 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000303788643 1012431219 /nfs/dbraw/zinc/43/12/19/1012431219.db2.gz UKVNXVMNZXHLPO-MRXNPFEDSA-N 2 1 356.470 2.603 20 30 FFEDMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C4CCC(CC#N)CC4)C3)O2)CC1 ZINC001173333185 1012445382 /nfs/dbraw/zinc/44/53/82/1012445382.db2.gz LNUARYWUBZVLSB-LIKPIUCQSA-N 2 1 374.573 2.720 20 30 FFEDMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C4CCC(CC#N)CC4)C3)O2)CC1 ZINC001173333185 1012445389 /nfs/dbraw/zinc/44/53/89/1012445389.db2.gz LNUARYWUBZVLSB-LIKPIUCQSA-N 2 1 374.573 2.720 20 30 FFEDMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C4CCC(CC#N)CC4)C3)O2)CC1 ZINC001173333185 1012445397 /nfs/dbraw/zinc/44/53/97/1012445397.db2.gz LNUARYWUBZVLSB-LIKPIUCQSA-N 2 1 374.573 2.720 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000303895478 1012504254 /nfs/dbraw/zinc/50/42/54/1012504254.db2.gz TWECDWMODSZEBL-LJQANCHMSA-N 2 1 371.529 2.704 20 30 FFEDMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C)(C#N)CC1 ZINC001173595313 1012767700 /nfs/dbraw/zinc/76/77/00/1012767700.db2.gz OEHHLYLSBQUDKM-TVRKMHQQSA-N 2 1 357.502 2.610 20 30 FFEDMP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001096020357 1019946603 /nfs/dbraw/zinc/94/66/03/1019946603.db2.gz BKQAEKIWDKYJLY-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)C1 ZINC001096020357 1019946612 /nfs/dbraw/zinc/94/66/12/1019946612.db2.gz BKQAEKIWDKYJLY-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001096020357 1019946622 /nfs/dbraw/zinc/94/66/22/1019946622.db2.gz BKQAEKIWDKYJLY-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001096020357 1019946631 /nfs/dbraw/zinc/94/66/31/1019946631.db2.gz BKQAEKIWDKYJLY-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2csc(C)c2)CC1 ZINC001098462571 1020930418 /nfs/dbraw/zinc/93/04/18/1020930418.db2.gz AXFOCOSFNPHSCX-AQNXPRMDSA-N 2 1 371.550 2.623 20 30 FFEDMP N#Cc1ccc(Oc2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222502996 1033014525 /nfs/dbraw/zinc/01/45/25/1033014525.db2.gz YUFXMETWSLOKTE-VXKWHMMOSA-N 2 1 362.477 2.876 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123890 1022011578 /nfs/dbraw/zinc/01/15/78/1022011578.db2.gz OUCLWYKJBQKWAP-AQNXPRMDSA-N 2 1 373.545 2.526 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001017134093 1022166319 /nfs/dbraw/zinc/16/63/19/1022166319.db2.gz VOYAXSUHCYGONS-DBXWQHBBSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001017134093 1022166320 /nfs/dbraw/zinc/16/63/20/1022166320.db2.gz VOYAXSUHCYGONS-DBXWQHBBSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001017134093 1022166322 /nfs/dbraw/zinc/16/63/22/1022166322.db2.gz VOYAXSUHCYGONS-DBXWQHBBSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001099447388 1022540895 /nfs/dbraw/zinc/54/08/95/1022540895.db2.gz NEDPRWBFGHNMLE-FUDKSRODSA-N 2 1 369.553 2.803 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001099447388 1022540904 /nfs/dbraw/zinc/54/09/04/1022540904.db2.gz NEDPRWBFGHNMLE-FUDKSRODSA-N 2 1 369.553 2.803 20 30 FFEDMP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC001120814825 1023481793 /nfs/dbraw/zinc/48/17/93/1023481793.db2.gz HVWQNGXNQRRDGQ-OAHLLOKOSA-N 2 1 363.303 2.901 20 30 FFEDMP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC001120814825 1023481798 /nfs/dbraw/zinc/48/17/98/1023481798.db2.gz HVWQNGXNQRRDGQ-OAHLLOKOSA-N 2 1 363.303 2.901 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111298811 1023673916 /nfs/dbraw/zinc/67/39/16/1023673916.db2.gz RYXUGKNAOIDOBA-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111298811 1023673920 /nfs/dbraw/zinc/67/39/20/1023673920.db2.gz RYXUGKNAOIDOBA-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289140 1023689326 /nfs/dbraw/zinc/68/93/26/1023689326.db2.gz PWCLXCLCVFLUKB-SGPNKGFISA-N 2 1 365.562 2.693 20 30 FFEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289140 1023689331 /nfs/dbraw/zinc/68/93/31/1023689331.db2.gz PWCLXCLCVFLUKB-SGPNKGFISA-N 2 1 365.562 2.693 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101240754 1024161874 /nfs/dbraw/zinc/16/18/74/1024161874.db2.gz GQFKUIXAOGYDKH-URVUXULASA-N 2 1 359.558 2.855 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC/C=C/CCC)C[C@@]2(C)C1 ZINC001101270496 1024278060 /nfs/dbraw/zinc/27/80/60/1024278060.db2.gz QIRYAZZAEIORDB-RNEAKHPQSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC/C=C/CCC)C[C@@]2(C)C1 ZINC001101270496 1024278075 /nfs/dbraw/zinc/27/80/75/1024278075.db2.gz QIRYAZZAEIORDB-RNEAKHPQSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C/CCC)C[C@@]2(C)C1 ZINC001101270496 1024278079 /nfs/dbraw/zinc/27/80/79/1024278079.db2.gz QIRYAZZAEIORDB-RNEAKHPQSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C/CCC)C[C@@]2(C)C1 ZINC001101270496 1024278096 /nfs/dbraw/zinc/27/80/96/1024278096.db2.gz QIRYAZZAEIORDB-RNEAKHPQSA-N 2 1 357.542 2.611 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376211 1027346587 /nfs/dbraw/zinc/34/65/87/1027346587.db2.gz PCKSRNYDIDPZKK-QRQLOZEOSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001103376211 1027346608 /nfs/dbraw/zinc/34/66/08/1027346608.db2.gz PCKSRNYDIDPZKK-QRQLOZEOSA-N 2 1 358.530 2.794 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001103438371 1027486226 /nfs/dbraw/zinc/48/62/26/1027486226.db2.gz DJSDHLNSALBQLN-WIYYLYMNSA-N 2 1 355.526 2.502 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112070884 1029934712 /nfs/dbraw/zinc/93/47/12/1029934712.db2.gz JOOZTMJRWNBKTE-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001112125122 1030057490 /nfs/dbraw/zinc/05/74/90/1030057490.db2.gz PNTJCNKJFBDSFB-OAGGEKHMSA-N 2 1 361.452 2.662 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112350002 1030625252 /nfs/dbraw/zinc/62/52/52/1030625252.db2.gz DEJVOCAEGMVXIF-SCTDSRPQSA-N 2 1 353.938 2.830 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1F ZINC001205657479 1031911273 /nfs/dbraw/zinc/91/12/73/1031911273.db2.gz FEVZAHPGJRSTNI-PKOBYXMFSA-N 2 1 361.505 2.874 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001223368093 1033415331 /nfs/dbraw/zinc/41/53/31/1033415331.db2.gz FYGKFDIFPPNTKY-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001223368093 1033415341 /nfs/dbraw/zinc/41/53/41/1033415341.db2.gz FYGKFDIFPPNTKY-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001220597563 1034279632 /nfs/dbraw/zinc/27/96/32/1034279632.db2.gz DRYKAZKDSYVZQV-GBESFXJTSA-N 2 1 350.551 2.809 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001220726350 1034358532 /nfs/dbraw/zinc/35/85/32/1034358532.db2.gz SYWAICSBNHHASH-AABGKKOBSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001220726350 1034358544 /nfs/dbraw/zinc/35/85/44/1034358544.db2.gz SYWAICSBNHHASH-AABGKKOBSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001220726350 1034358558 /nfs/dbraw/zinc/35/85/58/1034358558.db2.gz SYWAICSBNHHASH-AABGKKOBSA-N 2 1 365.562 2.549 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001138559223 1034412076 /nfs/dbraw/zinc/41/20/76/1034412076.db2.gz HUFRAHBNIWSOKB-FYYLOGMGSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001138559223 1034412083 /nfs/dbraw/zinc/41/20/83/1034412083.db2.gz HUFRAHBNIWSOKB-FYYLOGMGSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138559223 1034412087 /nfs/dbraw/zinc/41/20/87/1034412087.db2.gz HUFRAHBNIWSOKB-FYYLOGMGSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138559223 1034412094 /nfs/dbraw/zinc/41/20/94/1034412094.db2.gz HUFRAHBNIWSOKB-FYYLOGMGSA-N 2 1 368.521 2.879 20 30 FFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771597 1034639683 /nfs/dbraw/zinc/63/96/83/1034639683.db2.gz WEPZWELGDVTKIK-FGZHOGPDSA-N 2 1 374.525 2.953 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286643 1037198273 /nfs/dbraw/zinc/19/82/73/1037198273.db2.gz PRNHKCKLYITTEM-VAMGGRTRSA-N 2 1 359.514 2.509 20 30 FFEDMP C=CCN(CC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1)C(=O)OC(C)(C)C ZINC001207200861 1037240696 /nfs/dbraw/zinc/24/06/96/1037240696.db2.gz FMSKSDNZUVEHHU-UHFFFAOYSA-N 2 1 366.506 2.540 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)cc1 ZINC001235348065 1037492441 /nfs/dbraw/zinc/49/24/41/1037492441.db2.gz DEKIEFBPORTENB-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]1CC[NH2+]CC2 ZINC001235353250 1037499280 /nfs/dbraw/zinc/49/92/80/1037499280.db2.gz XNDLNZOFPXHUGT-LPHOPBHVSA-N 2 1 361.873 2.576 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705853 1037667655 /nfs/dbraw/zinc/66/76/55/1037667655.db2.gz KIWARWUGYUEOMI-RTBURBONSA-N 2 1 367.578 2.752 20 30 FFEDMP C=CCOCc1nn(C)c2c1C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256859058 1038637700 /nfs/dbraw/zinc/63/77/00/1038637700.db2.gz IJYLEBCPPIGPID-UHFFFAOYSA-N 2 1 367.497 2.545 20 30 FFEDMP CCCCCCCC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001278440258 1039296515 /nfs/dbraw/zinc/29/65/15/1039296515.db2.gz VUGHPHZJVZCKFS-NRFANRHFSA-N 2 1 366.594 2.565 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001252463838 1039546337 /nfs/dbraw/zinc/54/63/37/1039546337.db2.gz SWCFUIXATMNQBR-HNJRGHQBSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001252463838 1039546350 /nfs/dbraw/zinc/54/63/50/1039546350.db2.gz SWCFUIXATMNQBR-HNJRGHQBSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001252463838 1039546364 /nfs/dbraw/zinc/54/63/64/1039546364.db2.gz SWCFUIXATMNQBR-HNJRGHQBSA-N 2 1 364.555 2.844 20 30 FFEDMP N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001278735592 1040314093 /nfs/dbraw/zinc/31/40/93/1040314093.db2.gz ZNWKWWLBUFWSLH-KDURUIRLSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cc(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001278735592 1040314107 /nfs/dbraw/zinc/31/41/07/1040314107.db2.gz ZNWKWWLBUFWSLH-KDURUIRLSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cc(F)cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001278735592 1040314118 /nfs/dbraw/zinc/31/41/18/1040314118.db2.gz ZNWKWWLBUFWSLH-KDURUIRLSA-N 2 1 353.445 2.764 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529055 1040644960 /nfs/dbraw/zinc/64/49/60/1040644960.db2.gz KTPBNJNZQDMHFR-KZNAEPCWSA-N 2 1 362.518 2.567 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529055 1040644963 /nfs/dbraw/zinc/64/49/63/1040644963.db2.gz KTPBNJNZQDMHFR-KZNAEPCWSA-N 2 1 362.518 2.567 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001263999873 1042573902 /nfs/dbraw/zinc/57/39/02/1042573902.db2.gz VTLNZUVJHSCQKF-POAQFYNOSA-N 2 1 358.530 2.937 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncs2)CC3)cc1C#N ZINC001279287132 1042984100 /nfs/dbraw/zinc/98/41/00/1042984100.db2.gz OBIRIJPCVDPKSW-UHFFFAOYSA-N 2 1 355.511 2.841 20 30 FFEDMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH]1 ZINC001279291408 1042986750 /nfs/dbraw/zinc/98/67/50/1042986750.db2.gz YUTWWYXQTCGCIL-KDURUIRLSA-N 2 1 351.498 2.877 20 30 FFEDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH]1 ZINC001279291408 1042986755 /nfs/dbraw/zinc/98/67/55/1042986755.db2.gz YUTWWYXQTCGCIL-KDURUIRLSA-N 2 1 351.498 2.877 20 30 FFEDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH]1 ZINC001279291408 1042986757 /nfs/dbraw/zinc/98/67/57/1042986757.db2.gz YUTWWYXQTCGCIL-KDURUIRLSA-N 2 1 351.498 2.877 20 30 FFEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)cc1C#N ZINC001279347588 1043017362 /nfs/dbraw/zinc/01/73/62/1043017362.db2.gz DXFMUCMLJITIGH-UHFFFAOYSA-N 2 1 355.511 2.841 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)cc1C#N ZINC001279347588 1043017367 /nfs/dbraw/zinc/01/73/67/1043017367.db2.gz DXFMUCMLJITIGH-UHFFFAOYSA-N 2 1 355.511 2.841 20 30 FFEDMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4cc(C#N)n(C)c4)C3)CC2)co1 ZINC001279385540 1043041436 /nfs/dbraw/zinc/04/14/36/1043041436.db2.gz XQMIDMPXIIAXRJ-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP Cc1nc(C[NH+]2CCC3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)CC2)co1 ZINC001279385540 1043041440 /nfs/dbraw/zinc/04/14/40/1043041440.db2.gz XQMIDMPXIIAXRJ-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001278126615 1043289976 /nfs/dbraw/zinc/28/99/76/1043289976.db2.gz APEKFDRQLJTNNE-UHFFFAOYSA-N 2 1 354.542 2.840 20 30 FFEDMP C[NH+](C)CCN1CCC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001278126615 1043289983 /nfs/dbraw/zinc/28/99/83/1043289983.db2.gz APEKFDRQLJTNNE-UHFFFAOYSA-N 2 1 354.542 2.840 20 30 FFEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001278134074 1043319345 /nfs/dbraw/zinc/31/93/45/1043319345.db2.gz CTSPYGSRMDVELH-UHFFFAOYSA-N 2 1 354.542 2.840 20 30 FFEDMP C[NH+](C)CCN1CCC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001278134074 1043319355 /nfs/dbraw/zinc/31/93/55/1043319355.db2.gz CTSPYGSRMDVELH-UHFFFAOYSA-N 2 1 354.542 2.840 20 30 FFEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001279762422 1043603285 /nfs/dbraw/zinc/60/32/85/1043603285.db2.gz IXXOONFUFISQSR-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961494 1046308629 /nfs/dbraw/zinc/30/86/29/1046308629.db2.gz RRTRXTNUXVGSQH-URVUXULASA-N 2 1 355.526 2.736 20 30 FFEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961494 1046308642 /nfs/dbraw/zinc/30/86/42/1046308642.db2.gz RRTRXTNUXVGSQH-URVUXULASA-N 2 1 355.526 2.736 20 30 FFEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961494 1046308657 /nfs/dbraw/zinc/30/86/57/1046308657.db2.gz RRTRXTNUXVGSQH-URVUXULASA-N 2 1 355.526 2.736 20 30 FFEDMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1C#N ZINC001283441594 1046383948 /nfs/dbraw/zinc/38/39/48/1046383948.db2.gz IOYRGAFPGRYJHZ-NSISKUIASA-N 2 1 356.514 2.519 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001332726190 1048530772 /nfs/dbraw/zinc/53/07/72/1048530772.db2.gz ZGHXRZCADNASET-UHFFFAOYSA-N 2 1 356.514 2.769 20 30 FFEDMP C#CCC1([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCC1 ZINC001308100271 1052406065 /nfs/dbraw/zinc/40/60/65/1052406065.db2.gz FJLVTAGVHYIVTM-UHFFFAOYSA-N 2 1 353.510 2.565 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001346526990 1053074360 /nfs/dbraw/zinc/07/43/60/1053074360.db2.gz PIPHWPSIUXEMQW-RTBURBONSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001346526990 1053074370 /nfs/dbraw/zinc/07/43/70/1053074370.db2.gz PIPHWPSIUXEMQW-RTBURBONSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001346526990 1053074382 /nfs/dbraw/zinc/07/43/82/1053074382.db2.gz PIPHWPSIUXEMQW-RTBURBONSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001502377247 1058851794 /nfs/dbraw/zinc/85/17/94/1058851794.db2.gz KGAIMOJZXDSODB-MOPGFXCFSA-N 2 1 363.933 2.865 20 30 FFEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001502377247 1058851816 /nfs/dbraw/zinc/85/18/16/1058851816.db2.gz KGAIMOJZXDSODB-MOPGFXCFSA-N 2 1 363.933 2.865 20 30 FFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001502377247 1058851839 /nfs/dbraw/zinc/85/18/39/1058851839.db2.gz KGAIMOJZXDSODB-MOPGFXCFSA-N 2 1 363.933 2.865 20 30 FFEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001502377247 1058851865 /nfs/dbraw/zinc/85/18/65/1058851865.db2.gz KGAIMOJZXDSODB-MOPGFXCFSA-N 2 1 363.933 2.865 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001515295947 1059511300 /nfs/dbraw/zinc/51/13/00/1059511300.db2.gz LXUUMDSESJZTDP-KSZLIROESA-N 2 1 360.550 2.787 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001467577887 1063789276 /nfs/dbraw/zinc/78/92/76/1063789276.db2.gz OKXKJVQOLIIEKA-LJQANCHMSA-N 2 1 360.546 2.572 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001467577887 1063789291 /nfs/dbraw/zinc/78/92/91/1063789291.db2.gz OKXKJVQOLIIEKA-LJQANCHMSA-N 2 1 360.546 2.572 20 30 FFEDMP C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H]1CCCC[N@@H+]1CCCC ZINC001574485093 1078000050 /nfs/dbraw/zinc/00/00/50/1078000050.db2.gz APEGQHIJLKJFOZ-OKYOBFRVSA-N 2 1 372.561 2.595 20 30 FFEDMP C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001574486417 1078000500 /nfs/dbraw/zinc/00/05/00/1078000500.db2.gz NNNUJXSEGSLMNI-KURKYZTESA-N 2 1 372.561 2.595 20 30 FFEDMP C#CC[C@@]1(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC[NH2+]1 ZINC001574517055 1078006898 /nfs/dbraw/zinc/00/68/98/1078006898.db2.gz KNOUMVZSECFVIE-FBPBVXOASA-N 2 1 365.521 2.549 20 30 FFEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858720 507864896 /nfs/dbraw/zinc/86/48/96/507864896.db2.gz TWUSOXQRCWXRQV-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858720 507864897 /nfs/dbraw/zinc/86/48/97/507864897.db2.gz TWUSOXQRCWXRQV-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858720 507864899 /nfs/dbraw/zinc/86/48/99/507864899.db2.gz TWUSOXQRCWXRQV-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072858720 507864901 /nfs/dbraw/zinc/86/49/01/507864901.db2.gz TWUSOXQRCWXRQV-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092801834 508102016 /nfs/dbraw/zinc/10/20/16/508102016.db2.gz LIMUMZKRFKQEIO-RTWAWAEBSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092801834 508102020 /nfs/dbraw/zinc/10/20/20/508102020.db2.gz LIMUMZKRFKQEIO-RTWAWAEBSA-N 2 1 368.525 2.735 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092801834 508102024 /nfs/dbraw/zinc/10/20/24/508102024.db2.gz LIMUMZKRFKQEIO-RTWAWAEBSA-N 2 1 368.525 2.735 20 30 FFEDMP CCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000112464604 508188404 /nfs/dbraw/zinc/18/84/04/508188404.db2.gz WAJZAIXBWLKINW-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP CCCC[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112464604 508188407 /nfs/dbraw/zinc/18/84/07/508188407.db2.gz WAJZAIXBWLKINW-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP CCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112464604 508188410 /nfs/dbraw/zinc/18/84/10/508188410.db2.gz WAJZAIXBWLKINW-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000104173354 508329752 /nfs/dbraw/zinc/32/97/52/508329752.db2.gz UJVHFTLQLGFKNU-OAHLLOKOSA-N 2 1 368.481 2.877 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000104173354 508329755 /nfs/dbraw/zinc/32/97/55/508329755.db2.gz UJVHFTLQLGFKNU-OAHLLOKOSA-N 2 1 368.481 2.877 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(OC)c1 ZINC000123189913 508648998 /nfs/dbraw/zinc/64/89/98/508648998.db2.gz QGLRTPNVLFGKRN-QRQLOZEOSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123189913 508649003 /nfs/dbraw/zinc/64/90/03/508649003.db2.gz QGLRTPNVLFGKRN-QRQLOZEOSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123189913 508649007 /nfs/dbraw/zinc/64/90/07/508649007.db2.gz QGLRTPNVLFGKRN-QRQLOZEOSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000123189913 508649012 /nfs/dbraw/zinc/64/90/12/508649012.db2.gz QGLRTPNVLFGKRN-QRQLOZEOSA-N 2 1 362.514 2.578 20 30 FFEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)n2c1 ZINC000123617416 508715892 /nfs/dbraw/zinc/71/58/92/508715892.db2.gz RYYZAYKZRFJAJS-HXUWFJFHSA-N 2 1 359.477 2.860 20 30 FFEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)n2c1 ZINC000123617416 508715897 /nfs/dbraw/zinc/71/58/97/508715897.db2.gz RYYZAYKZRFJAJS-HXUWFJFHSA-N 2 1 359.477 2.860 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158772207 508750245 /nfs/dbraw/zinc/75/02/45/508750245.db2.gz FOFZHWSEDVKMHK-CTNGQTDRSA-N 2 1 368.525 2.966 20 30 FFEDMP Cc1[nH+]ccn1CCCON=C(N)c1cccc(OCc2cccnc2)c1 ZINC000154760397 508849557 /nfs/dbraw/zinc/84/95/57/508849557.db2.gz RGBLKBRAANVYEM-UHFFFAOYSA-N 2 1 365.437 2.893 20 30 FFEDMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717468 509321458 /nfs/dbraw/zinc/32/14/58/509321458.db2.gz UDEXHAXPNFJTRQ-HQRMLTQVSA-N 2 1 357.498 2.541 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183144092 509624931 /nfs/dbraw/zinc/62/49/31/509624931.db2.gz YURGSDXMVNDWQQ-CVEARBPZSA-N 2 1 353.470 2.840 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000176720639 509657766 /nfs/dbraw/zinc/65/77/66/509657766.db2.gz MAZUJLKEZSJZRF-WIYYLYMNSA-N 2 1 353.510 2.501 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000265010419 509820622 /nfs/dbraw/zinc/82/06/22/509820622.db2.gz QHWNFJSZVLYPLH-KDURUIRLSA-N 2 1 356.514 2.579 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000265010419 509820629 /nfs/dbraw/zinc/82/06/29/509820629.db2.gz QHWNFJSZVLYPLH-KDURUIRLSA-N 2 1 356.514 2.579 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000171721334 510331382 /nfs/dbraw/zinc/33/13/82/510331382.db2.gz GETXQNKCXUBBTR-HDICACEKSA-N 2 1 371.525 2.676 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000171721334 510331389 /nfs/dbraw/zinc/33/13/89/510331389.db2.gz GETXQNKCXUBBTR-HDICACEKSA-N 2 1 371.525 2.676 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000171907842 510445201 /nfs/dbraw/zinc/44/52/01/510445201.db2.gz NEHYVMRDLZFXPX-KRWDZBQOSA-N 2 1 350.551 2.837 20 30 FFEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329959476 510886596 /nfs/dbraw/zinc/88/65/96/510886596.db2.gz QPDVOAJRXGNMIM-LMMKCTJWSA-N 2 1 367.497 2.785 20 30 FFEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329959476 510886603 /nfs/dbraw/zinc/88/66/03/510886603.db2.gz QPDVOAJRXGNMIM-LMMKCTJWSA-N 2 1 367.497 2.785 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000330031458 510902944 /nfs/dbraw/zinc/90/29/44/510902944.db2.gz UANISMCRPXVRJE-HNNXBMFYSA-N 2 1 356.474 2.544 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000330031458 510902950 /nfs/dbraw/zinc/90/29/50/510902950.db2.gz UANISMCRPXVRJE-HNNXBMFYSA-N 2 1 356.474 2.544 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000330035544 510904476 /nfs/dbraw/zinc/90/44/76/510904476.db2.gz XMWLRSYMXSWTCE-INIZCTEOSA-N 2 1 358.490 2.648 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000330035544 510904479 /nfs/dbraw/zinc/90/44/79/510904479.db2.gz XMWLRSYMXSWTCE-INIZCTEOSA-N 2 1 358.490 2.648 20 30 FFEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000281288929 511790425 /nfs/dbraw/zinc/79/04/25/511790425.db2.gz OWKQKJDSOTZFGQ-UHFFFAOYSA-N 2 1 352.486 2.776 20 30 FFEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000281288929 511790431 /nfs/dbraw/zinc/79/04/31/511790431.db2.gz OWKQKJDSOTZFGQ-UHFFFAOYSA-N 2 1 352.486 2.776 20 30 FFEDMP CCn1cc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000329032396 511971066 /nfs/dbraw/zinc/97/10/66/511971066.db2.gz XMDNNWZDGANTKS-UHFFFAOYSA-N 2 1 359.518 2.666 20 30 FFEDMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000371823676 512590307 /nfs/dbraw/zinc/59/03/07/512590307.db2.gz RRICQOGHNCTAKK-UHFFFAOYSA-N 2 1 365.525 2.660 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccncc2)n1 ZINC000433320963 514457126 /nfs/dbraw/zinc/45/71/26/514457126.db2.gz WFNUGGIYLQHUSK-MOPGFXCFSA-N 2 1 350.470 2.575 20 30 FFEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccncc2)n1 ZINC000433320963 514457131 /nfs/dbraw/zinc/45/71/31/514457131.db2.gz WFNUGGIYLQHUSK-MOPGFXCFSA-N 2 1 350.470 2.575 20 30 FFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470995451 514710383 /nfs/dbraw/zinc/71/03/83/514710383.db2.gz OYYBPSNVFGTCRG-NRSPTQNISA-N 2 1 355.526 2.863 20 30 FFEDMP C=CCn1cccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488743516 516299338 /nfs/dbraw/zinc/29/93/38/516299338.db2.gz IKIKKQYSSQCQOT-UHFFFAOYSA-N 2 1 372.557 2.942 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362438 516378626 /nfs/dbraw/zinc/37/86/26/516378626.db2.gz APHPFZVEKVCWJP-FPOVZHCZSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362438 516378632 /nfs/dbraw/zinc/37/86/32/516378632.db2.gz APHPFZVEKVCWJP-FPOVZHCZSA-N 2 1 371.525 2.742 20 30 FFEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000526056751 517317767 /nfs/dbraw/zinc/31/77/67/517317767.db2.gz OHDKBEBSECKUIS-MSOLQXFVSA-N 2 1 360.546 2.914 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000568384035 519013591 /nfs/dbraw/zinc/01/35/91/519013591.db2.gz SYAAVVJNRVBIKT-AWEZNQCLSA-N 2 1 359.297 2.973 20 30 FFEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878502 519944039 /nfs/dbraw/zinc/94/40/39/519944039.db2.gz XNNNASZPQPVAML-WBTXTPOCSA-N 2 1 360.546 2.723 20 30 FFEDMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437412 519963136 /nfs/dbraw/zinc/96/31/36/519963136.db2.gz JPAXVTQCIOWDCX-RLLQIKCJSA-N 2 1 356.514 2.909 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599293894 521132377 /nfs/dbraw/zinc/13/23/77/521132377.db2.gz APWMWCBJNWWKAT-HSALFYBXSA-N 2 1 363.546 2.644 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599355097 521170227 /nfs/dbraw/zinc/17/02/27/521170227.db2.gz UEUOQOOUXSXYNO-JXFKEZNVSA-N 2 1 368.481 2.903 20 30 FFEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)c1 ZINC000602176833 521189693 /nfs/dbraw/zinc/18/96/93/521189693.db2.gz MSMNJUKKJIQENK-OAQYLSRUSA-N 2 1 366.509 2.656 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593883555 521271865 /nfs/dbraw/zinc/27/18/65/521271865.db2.gz PVMQTYBHTCYJEC-HXUWFJFHSA-N 2 1 354.498 2.513 20 30 FFEDMP C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000593967736 521320534 /nfs/dbraw/zinc/32/05/34/521320534.db2.gz XHJRSXHMWDKQRA-INIZCTEOSA-N 2 1 363.465 2.522 20 30 FFEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000083091457 728409591 /nfs/dbraw/zinc/40/95/91/728409591.db2.gz MPOVBUOPBVFZSF-WMLDXEAASA-N 2 1 357.527 2.952 20 30 FFEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304472587 729736374 /nfs/dbraw/zinc/73/63/74/729736374.db2.gz FMVSCQKSQKJRCC-ZDUSSCGKSA-N 2 1 358.408 2.721 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC(F)F ZINC000304660531 729736751 /nfs/dbraw/zinc/73/67/51/729736751.db2.gz ADYUDBIDBGOSKJ-CYBMUJFWSA-N 2 1 360.836 2.830 20 30 FFEDMP CN1CCN(c2ccc(C=NNCC(F)(F)C(F)(F)F)cc2)CC1 ZINC000863180798 730753875 /nfs/dbraw/zinc/75/38/75/730753875.db2.gz AGYNVFASPPGILD-UHFFFAOYSA-N 2 1 350.335 2.560 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H](NCc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877030031 732314896 /nfs/dbraw/zinc/31/48/96/732314896.db2.gz WLFRFFHKXXEXFZ-PBHICJAKSA-N 2 1 350.894 2.833 20 30 FFEDMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@]2(C)C1 ZINC000931307688 739242078 /nfs/dbraw/zinc/24/20/78/739242078.db2.gz NZTVVCBKSKICBK-RTBURBONSA-N 2 1 360.889 2.814 20 30 FFEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040706600 743024020 /nfs/dbraw/zinc/02/40/20/743024020.db2.gz XZLJIQIKYJTXPM-DLBZAZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104846098 970995579 /nfs/dbraw/zinc/99/55/79/970995579.db2.gz ISRMMDYLNYFOPM-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275834197 1013056336 /nfs/dbraw/zinc/05/63/36/1013056336.db2.gz ZYQOIMSYDMLJGO-JOCHJYFZSA-N 2 1 353.510 2.895 20 30 FFEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001104896614 971116487 /nfs/dbraw/zinc/11/64/87/971116487.db2.gz HIEJIKYLTUSVMO-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267806174 971339889 /nfs/dbraw/zinc/33/98/89/971339889.db2.gz UXBIXEIPHCLFQD-AYOQOUSVSA-N 2 1 361.917 2.516 20 30 FFEDMP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271260742 972411195 /nfs/dbraw/zinc/41/11/95/972411195.db2.gz ANXYNBTZUXYVSE-RVKKMQEKSA-N 2 1 362.543 2.580 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104353656 963842771 /nfs/dbraw/zinc/84/27/71/963842771.db2.gz CYMSQWOKWSWUCY-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267178013 966931395 /nfs/dbraw/zinc/93/13/95/966931395.db2.gz OIAXHZOIEXUWTO-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267178013 966931402 /nfs/dbraw/zinc/93/14/02/966931402.db2.gz OIAXHZOIEXUWTO-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267178013 966931415 /nfs/dbraw/zinc/93/14/15/966931415.db2.gz OIAXHZOIEXUWTO-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002759 967462940 /nfs/dbraw/zinc/46/29/40/967462940.db2.gz XHCFYOFQZNYAIN-AIZNXBIQSA-N 2 1 372.601 2.683 20 30 FFEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023605407 967986878 /nfs/dbraw/zinc/98/68/78/967986878.db2.gz YSQIWYLMLCMSLC-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023605407 967986886 /nfs/dbraw/zinc/98/68/86/967986886.db2.gz YSQIWYLMLCMSLC-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023605407 967986893 /nfs/dbraw/zinc/98/68/93/967986893.db2.gz YSQIWYLMLCMSLC-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593632 968285629 /nfs/dbraw/zinc/28/56/29/968285629.db2.gz OJJKJKGWCAETJE-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593632 968285639 /nfs/dbraw/zinc/28/56/39/968285639.db2.gz OJJKJKGWCAETJE-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593632 968285644 /nfs/dbraw/zinc/28/56/44/968285644.db2.gz OJJKJKGWCAETJE-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593632 968285655 /nfs/dbraw/zinc/28/56/55/968285655.db2.gz OJJKJKGWCAETJE-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC001024991221 969445303 /nfs/dbraw/zinc/44/53/03/969445303.db2.gz UUDBHWGHAUOBHE-GUDVDZBRSA-N 2 1 363.465 2.556 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709263 1014358786 /nfs/dbraw/zinc/35/87/86/1014358786.db2.gz NKTPUZGCYXFLFW-FCHUYYIVSA-N 2 1 374.488 2.698 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723086 977444301 /nfs/dbraw/zinc/44/43/01/977444301.db2.gz PPQPTGMNXWKOGW-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087460189 978002060 /nfs/dbraw/zinc/00/20/60/978002060.db2.gz UVOOGOMSWVAMCI-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569505 981151434 /nfs/dbraw/zinc/15/14/34/981151434.db2.gz XDRPGFQHKXADRJ-RYRKJORJSA-N 2 1 353.938 2.973 20 30 FFEDMP C=CCc1cc(OC)cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000164377842 984353185 /nfs/dbraw/zinc/35/31/85/984353185.db2.gz PWTHJUKANYPESH-HXUWFJFHSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCc1cc(OC)cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000164377842 984353189 /nfs/dbraw/zinc/35/31/89/984353189.db2.gz PWTHJUKANYPESH-HXUWFJFHSA-N 2 1 373.541 2.731 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549600 984667597 /nfs/dbraw/zinc/66/75/97/984667597.db2.gz BNDOYHDHGXHJPP-UIFIKXQLSA-N 2 1 363.521 2.583 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549600 984667598 /nfs/dbraw/zinc/66/75/98/984667598.db2.gz BNDOYHDHGXHJPP-UIFIKXQLSA-N 2 1 363.521 2.583 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549600 984667601 /nfs/dbraw/zinc/66/76/01/984667601.db2.gz BNDOYHDHGXHJPP-UIFIKXQLSA-N 2 1 363.521 2.583 20 30 FFEDMP C[NH+]1CCC(CNC(=O)Nc2cc(C#N)ccc2F)(N2CCCCC2)CC1 ZINC000888359539 985516723 /nfs/dbraw/zinc/51/67/23/985516723.db2.gz JUOYJDVIQCNLBA-UHFFFAOYSA-N 2 1 373.476 2.769 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1 ZINC001088953081 985603695 /nfs/dbraw/zinc/60/36/95/985603695.db2.gz ZVVLNAOGCDCYIN-UTKZUKDTSA-N 2 1 368.525 2.758 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(C#N)c1C ZINC000879249077 1015436911 /nfs/dbraw/zinc/43/69/11/1015436911.db2.gz DQJJMNVOZYOXHA-HNNXBMFYSA-N 2 1 358.486 2.903 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033441348 989591149 /nfs/dbraw/zinc/59/11/49/989591149.db2.gz AEGRSYZHMWQRHC-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033441348 989591158 /nfs/dbraw/zinc/59/11/58/989591158.db2.gz AEGRSYZHMWQRHC-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033441348 989591168 /nfs/dbraw/zinc/59/11/68/989591168.db2.gz AEGRSYZHMWQRHC-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001006028535 991032035 /nfs/dbraw/zinc/03/20/35/991032035.db2.gz JUJYQAILOLBINO-RTWAWAEBSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079158991 991862801 /nfs/dbraw/zinc/86/28/01/991862801.db2.gz DNXJADUHDMBVGE-FFZOFVMBSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008608322 1015678949 /nfs/dbraw/zinc/67/89/49/1015678949.db2.gz DRWOKCPHIXZQLM-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008608322 1015678953 /nfs/dbraw/zinc/67/89/53/1015678953.db2.gz DRWOKCPHIXZQLM-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008608322 1015678958 /nfs/dbraw/zinc/67/89/58/1015678958.db2.gz DRWOKCPHIXZQLM-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995266035 992744661 /nfs/dbraw/zinc/74/46/61/992744661.db2.gz JPQUIIMLBHCMLJ-HMXCVIKNSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995266035 992744666 /nfs/dbraw/zinc/74/46/66/992744666.db2.gz JPQUIIMLBHCMLJ-HMXCVIKNSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995266035 992744674 /nfs/dbraw/zinc/74/46/74/992744674.db2.gz JPQUIIMLBHCMLJ-HMXCVIKNSA-N 2 1 370.541 2.648 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1 ZINC001080704841 993294633 /nfs/dbraw/zinc/29/46/33/993294633.db2.gz ODRYEFQKWCHLMG-DYESRHJHSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1ccccc1 ZINC001081189583 993745954 /nfs/dbraw/zinc/74/59/54/993745954.db2.gz YATBSNISYGUNKK-RBUKOAKNSA-N 2 1 352.482 2.777 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747463 1016240269 /nfs/dbraw/zinc/24/02/69/1016240269.db2.gz OWGMIHMZWSCFMW-CLAROIROSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747463 1016240277 /nfs/dbraw/zinc/24/02/77/1016240277.db2.gz OWGMIHMZWSCFMW-CLAROIROSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747463 1016240283 /nfs/dbraw/zinc/24/02/83/1016240283.db2.gz OWGMIHMZWSCFMW-CLAROIROSA-N 2 1 367.537 2.973 20 30 FFEDMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1)[NH+](C)C ZINC001085025196 998704809 /nfs/dbraw/zinc/70/48/09/998704809.db2.gz JUNWVFZFZPHHQI-QHAWAJNXSA-N 2 1 368.525 2.567 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccsc4)[C@H]3C2)CC1 ZINC001085100683 998945432 /nfs/dbraw/zinc/94/54/32/998945432.db2.gz WTSXWPCCRQWVON-QUCCMNQESA-N 2 1 371.550 2.516 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C ZINC001085229976 999215284 /nfs/dbraw/zinc/21/52/84/999215284.db2.gz UIIJZNURTXXYMH-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C ZINC001085229976 999215292 /nfs/dbraw/zinc/21/52/92/999215292.db2.gz UIIJZNURTXXYMH-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001096607862 1016347657 /nfs/dbraw/zinc/34/76/57/1016347657.db2.gz LAVANZQENKLENO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001096607862 1016347667 /nfs/dbraw/zinc/34/76/67/1016347667.db2.gz LAVANZQENKLENO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001096607862 1016347676 /nfs/dbraw/zinc/34/76/76/1016347676.db2.gz LAVANZQENKLENO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001096607862 1016347684 /nfs/dbraw/zinc/34/76/84/1016347684.db2.gz LAVANZQENKLENO-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139053 1000025344 /nfs/dbraw/zinc/02/53/44/1000025344.db2.gz LYYFUQHSXCGKTJ-BAYUQKDNSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139053 1000025345 /nfs/dbraw/zinc/02/53/45/1000025345.db2.gz LYYFUQHSXCGKTJ-BAYUQKDNSA-N 2 1 364.493 2.612 20 30 FFEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C1)C2 ZINC001169139053 1000025347 /nfs/dbraw/zinc/02/53/47/1000025347.db2.gz LYYFUQHSXCGKTJ-BAYUQKDNSA-N 2 1 364.493 2.612 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001112557735 1001468582 /nfs/dbraw/zinc/46/85/82/1001468582.db2.gz VKVYWBGLAXXABT-UNMCSNQZSA-N 2 1 368.525 2.618 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860809 1002010836 /nfs/dbraw/zinc/01/08/36/1002010836.db2.gz JMJVALCUZIPRDC-UTKZUKDTSA-N 2 1 356.514 2.508 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860809 1002010843 /nfs/dbraw/zinc/01/08/43/1002010843.db2.gz JMJVALCUZIPRDC-UTKZUKDTSA-N 2 1 356.514 2.508 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086592502 1002537522 /nfs/dbraw/zinc/53/75/22/1002537522.db2.gz QOVKFRZFDIAFDX-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001086592502 1002537534 /nfs/dbraw/zinc/53/75/34/1002537534.db2.gz QOVKFRZFDIAFDX-FDFHNCONSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086605378 1002911468 /nfs/dbraw/zinc/91/14/68/1002911468.db2.gz AMTZHTSAYFCICT-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001086605378 1002911482 /nfs/dbraw/zinc/91/14/82/1002911482.db2.gz AMTZHTSAYFCICT-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001086605378 1002911490 /nfs/dbraw/zinc/91/14/90/1002911490.db2.gz AMTZHTSAYFCICT-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086619353 1003546836 /nfs/dbraw/zinc/54/68/36/1003546836.db2.gz LWCINRWHCYLZGJ-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086619353 1003546844 /nfs/dbraw/zinc/54/68/44/1003546844.db2.gz LWCINRWHCYLZGJ-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001086619353 1003546851 /nfs/dbraw/zinc/54/68/51/1003546851.db2.gz LWCINRWHCYLZGJ-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001086619353 1003546858 /nfs/dbraw/zinc/54/68/58/1003546858.db2.gz LWCINRWHCYLZGJ-BDTNDASRSA-N 2 1 367.537 2.858 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357711 1005810532 /nfs/dbraw/zinc/81/05/32/1005810532.db2.gz SLDBPSQKZHRIOW-UWJYYQICSA-N 2 1 365.477 2.834 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000852887138 1006222402 /nfs/dbraw/zinc/22/24/02/1006222402.db2.gz GJSJLYRHJUFRJT-UHFFFAOYSA-N 2 1 365.521 2.504 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001097104536 1017045203 /nfs/dbraw/zinc/04/52/03/1017045203.db2.gz AIQLZOCNHWXXJB-XNTOXWQXSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001097104536 1017045210 /nfs/dbraw/zinc/04/52/10/1017045210.db2.gz AIQLZOCNHWXXJB-XNTOXWQXSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001097104536 1017045219 /nfs/dbraw/zinc/04/52/19/1017045219.db2.gz AIQLZOCNHWXXJB-XNTOXWQXSA-N 2 1 366.509 2.510 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405728 1006566281 /nfs/dbraw/zinc/56/62/81/1006566281.db2.gz OYNROKGHJGKSKL-WSTZPKSXSA-N 2 1 356.514 2.795 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc4c3CCCC4)[C@@H]2C1 ZINC001188568469 1006611208 /nfs/dbraw/zinc/61/12/08/1006611208.db2.gz NIWFGTSLZXKRRD-FUHIMQAGSA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568469 1006611217 /nfs/dbraw/zinc/61/12/17/1006611217.db2.gz NIWFGTSLZXKRRD-FUHIMQAGSA-N 2 1 356.514 2.649 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568469 1006611227 /nfs/dbraw/zinc/61/12/27/1006611227.db2.gz NIWFGTSLZXKRRD-FUHIMQAGSA-N 2 1 356.514 2.649 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCCCCC)C[C@H]32)CC1 ZINC001190316838 1007565284 /nfs/dbraw/zinc/56/52/84/1007565284.db2.gz AMERABVGKOMSOT-LEWJYISDSA-N 2 1 359.558 2.835 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975734 1008015089 /nfs/dbraw/zinc/01/50/89/1008015089.db2.gz LWNCSAHNXNZZET-VGOFRKELSA-N 2 1 365.477 2.602 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975734 1008015096 /nfs/dbraw/zinc/01/50/96/1008015096.db2.gz LWNCSAHNXNZZET-VGOFRKELSA-N 2 1 365.477 2.602 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093835639 1010606995 /nfs/dbraw/zinc/60/69/95/1010606995.db2.gz CXWAKVXRJOHUGB-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866356885 1010982633 /nfs/dbraw/zinc/98/26/33/1010982633.db2.gz AMSDNMLOYYCZFU-OAHLLOKOSA-N 2 1 354.454 2.840 20 30 FFEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498993 1011345615 /nfs/dbraw/zinc/34/56/15/1011345615.db2.gz DUGXTYXQUZKIBF-GUDVDZBRSA-N 2 1 353.551 2.717 20 30 FFEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498993 1011345628 /nfs/dbraw/zinc/34/56/28/1011345628.db2.gz DUGXTYXQUZKIBF-GUDVDZBRSA-N 2 1 353.551 2.717 20 30 FFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251475 1011722534 /nfs/dbraw/zinc/72/25/34/1011722534.db2.gz RBQOQHOMYLFGCL-NRFANRHFSA-N 2 1 363.546 2.520 20 30 FFEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251475 1011722541 /nfs/dbraw/zinc/72/25/41/1011722541.db2.gz RBQOQHOMYLFGCL-NRFANRHFSA-N 2 1 363.546 2.520 20 30 FFEDMP C=CCOC1CCC([NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)CC1 ZINC001173322484 1012439801 /nfs/dbraw/zinc/43/98/01/1012439801.db2.gz FJAAZUYJJPXUOZ-ZJRDLVKKSA-N 2 1 364.530 2.850 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000304758859 1012864937 /nfs/dbraw/zinc/86/49/37/1012864937.db2.gz QOHQZTQGPGDQKF-HXUWFJFHSA-N 2 1 357.546 2.812 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000304763698 1012871373 /nfs/dbraw/zinc/87/13/73/1012871373.db2.gz XDLDGDNWXVIZMP-AQNXPRMDSA-N 2 1 358.530 2.851 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001097176975 1017146043 /nfs/dbraw/zinc/14/60/43/1017146043.db2.gz DQLAMBIHWDYTFO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097176975 1017146056 /nfs/dbraw/zinc/14/60/56/1017146056.db2.gz DQLAMBIHWDYTFO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097176975 1017146065 /nfs/dbraw/zinc/14/60/65/1017146065.db2.gz DQLAMBIHWDYTFO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001097176975 1017146083 /nfs/dbraw/zinc/14/60/83/1017146083.db2.gz DQLAMBIHWDYTFO-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052730696 1018069815 /nfs/dbraw/zinc/06/98/15/1018069815.db2.gz DACARPNSKAVERI-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052730696 1018069829 /nfs/dbraw/zinc/06/98/29/1018069829.db2.gz DACARPNSKAVERI-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052730696 1018069844 /nfs/dbraw/zinc/06/98/44/1018069844.db2.gz DACARPNSKAVERI-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113012 1019767846 /nfs/dbraw/zinc/76/78/46/1019767846.db2.gz CEBDEFQCGPHKBY-QRVBRYPASA-N 2 1 351.454 2.569 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113012 1019767860 /nfs/dbraw/zinc/76/78/60/1019767860.db2.gz CEBDEFQCGPHKBY-QRVBRYPASA-N 2 1 351.454 2.569 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000900045910 1020153673 /nfs/dbraw/zinc/15/36/73/1020153673.db2.gz PQMBYJDFTXCMNR-SFTDATJTSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)cc1 ZINC000900045910 1020153677 /nfs/dbraw/zinc/15/36/77/1020153677.db2.gz PQMBYJDFTXCMNR-SFTDATJTSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC2)cc1 ZINC000900045910 1020153680 /nfs/dbraw/zinc/15/36/80/1020153680.db2.gz PQMBYJDFTXCMNR-SFTDATJTSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC2)cc1 ZINC000900045910 1020153686 /nfs/dbraw/zinc/15/36/86/1020153686.db2.gz PQMBYJDFTXCMNR-SFTDATJTSA-N 2 1 366.509 2.609 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001111023661 1020692031 /nfs/dbraw/zinc/69/20/31/1020692031.db2.gz VLTXUFYYIJHRGD-WWNBULGVSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023661 1020692037 /nfs/dbraw/zinc/69/20/37/1020692037.db2.gz VLTXUFYYIJHRGD-WWNBULGVSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023661 1020692044 /nfs/dbraw/zinc/69/20/44/1020692044.db2.gz VLTXUFYYIJHRGD-WWNBULGVSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099029563 1021628967 /nfs/dbraw/zinc/62/89/67/1021628967.db2.gz FCSXVYGJCVAPNX-DBVUQKKJSA-N 2 1 351.510 2.746 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029563 1021628972 /nfs/dbraw/zinc/62/89/72/1021628972.db2.gz FCSXVYGJCVAPNX-DBVUQKKJSA-N 2 1 351.510 2.746 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029563 1021628978 /nfs/dbraw/zinc/62/89/78/1021628978.db2.gz FCSXVYGJCVAPNX-DBVUQKKJSA-N 2 1 351.510 2.746 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001120590193 1023373880 /nfs/dbraw/zinc/37/38/80/1023373880.db2.gz JLNGKELBMPSCJC-SFHVURJKSA-N 2 1 354.416 2.686 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001122631536 1023380145 /nfs/dbraw/zinc/38/01/45/1023380145.db2.gz UQAIOFFTZCLNHJ-SQNIBIBYSA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001122631536 1023380151 /nfs/dbraw/zinc/38/01/51/1023380151.db2.gz UQAIOFFTZCLNHJ-SQNIBIBYSA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001122631536 1023380156 /nfs/dbraw/zinc/38/01/56/1023380156.db2.gz UQAIOFFTZCLNHJ-SQNIBIBYSA-N 2 1 360.550 2.582 20 30 FFEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](CC)CC ZINC001102358170 1025802672 /nfs/dbraw/zinc/80/26/72/1025802672.db2.gz ZOIHVXXKDJTETE-UIFIKXQLSA-N 2 1 370.541 2.863 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086867 1026948256 /nfs/dbraw/zinc/94/82/56/1026948256.db2.gz UUPZRTPYEGFURD-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086867 1026948258 /nfs/dbraw/zinc/94/82/58/1026948258.db2.gz UUPZRTPYEGFURD-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086867 1026948261 /nfs/dbraw/zinc/94/82/61/1026948261.db2.gz UUPZRTPYEGFURD-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC/C=C\CCC)C[C@H]1C ZINC001103099690 1026962816 /nfs/dbraw/zinc/96/28/16/1026962816.db2.gz TVCXUFBIEHLKCM-YHJPHCOGSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@H]1C ZINC001103099690 1026962822 /nfs/dbraw/zinc/96/28/22/1026962822.db2.gz TVCXUFBIEHLKCM-YHJPHCOGSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C\CCC)C[C@H]1C ZINC001103099690 1026962825 /nfs/dbraw/zinc/96/28/25/1026962825.db2.gz TVCXUFBIEHLKCM-YHJPHCOGSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C\CCC)C[C@H]1C ZINC001103099690 1026962829 /nfs/dbraw/zinc/96/28/29/1026962829.db2.gz TVCXUFBIEHLKCM-YHJPHCOGSA-N 2 1 359.558 2.905 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148088 1027003712 /nfs/dbraw/zinc/00/37/12/1027003712.db2.gz NKMKASYEKHWCNJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148088 1027003720 /nfs/dbraw/zinc/00/37/20/1027003720.db2.gz NKMKASYEKHWCNJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148088 1027003730 /nfs/dbraw/zinc/00/37/30/1027003730.db2.gz NKMKASYEKHWCNJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544000 1027659268 /nfs/dbraw/zinc/65/92/68/1027659268.db2.gz BPXCVXYXJVXXFT-AQNXPRMDSA-N 2 1 367.578 2.630 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001111949089 1029787952 /nfs/dbraw/zinc/78/79/52/1029787952.db2.gz NICCNMPLQXGIDK-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C(F)(F)F ZINC001112103603 1030012607 /nfs/dbraw/zinc/01/26/07/1030012607.db2.gz PLZJZVKPQSYHNS-ZJIFWQFVSA-N 2 1 361.452 2.662 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112117233 1030044288 /nfs/dbraw/zinc/04/42/88/1030044288.db2.gz XHQPOJSXKOAKSN-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112206065 1030239147 /nfs/dbraw/zinc/23/91/47/1030239147.db2.gz GDEHFYOMGVJPFC-NWANDNLSSA-N 2 1 358.408 2.525 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112210164 1030251538 /nfs/dbraw/zinc/25/15/38/1030251538.db2.gz ZFKBHOSDQSJTQY-ZIAGYGMSSA-N 2 1 367.843 2.594 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001112359716 1030654110 /nfs/dbraw/zinc/65/41/10/1030654110.db2.gz GUYSQAPSMKDEOO-LQWHRVPQSA-N 2 1 356.514 2.638 20 30 FFEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001203762559 1030870028 /nfs/dbraw/zinc/87/00/28/1030870028.db2.gz RXCQHGJOSFKMHW-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001203762559 1030870043 /nfs/dbraw/zinc/87/00/43/1030870043.db2.gz RXCQHGJOSFKMHW-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001203762559 1030870060 /nfs/dbraw/zinc/87/00/60/1030870060.db2.gz RXCQHGJOSFKMHW-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205292856 1031653423 /nfs/dbraw/zinc/65/34/23/1031653423.db2.gz QMPRRAZLSOKZKE-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205390735 1031705816 /nfs/dbraw/zinc/70/58/16/1031705816.db2.gz DZCOIZJIDMWALN-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205434392 1031741957 /nfs/dbraw/zinc/74/19/57/1031741957.db2.gz GRCBWJRGBDKEAO-FFZOFVMBSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223199803 1033330368 /nfs/dbraw/zinc/33/03/68/1033330368.db2.gz ASYXLFVTQUALAQ-SJORKVTESA-N 2 1 353.938 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223199803 1033330383 /nfs/dbraw/zinc/33/03/83/1033330383.db2.gz ASYXLFVTQUALAQ-SJORKVTESA-N 2 1 353.938 2.926 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001220868396 1034437615 /nfs/dbraw/zinc/43/76/15/1034437615.db2.gz IDUJIAGPORRADT-UXHICEINSA-N 2 1 351.494 2.866 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220868915 1034439173 /nfs/dbraw/zinc/43/91/73/1034439173.db2.gz ZLRXTGTVHDEPGF-FCHUYYIVSA-N 2 1 363.505 2.990 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001221898661 1035144517 /nfs/dbraw/zinc/14/45/17/1035144517.db2.gz BTTNWAZXLVOIQG-UHFFFAOYSA-N 2 1 370.541 2.817 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001232843631 1036102963 /nfs/dbraw/zinc/10/29/63/1036102963.db2.gz STCCFURRRMMAOY-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001232843631 1036102968 /nfs/dbraw/zinc/10/29/68/1036102968.db2.gz STCCFURRRMMAOY-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001232843631 1036102980 /nfs/dbraw/zinc/10/29/80/1036102980.db2.gz STCCFURRRMMAOY-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001232843631 1036102986 /nfs/dbraw/zinc/10/29/86/1036102986.db2.gz STCCFURRRMMAOY-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286641 1037197576 /nfs/dbraw/zinc/19/75/76/1037197576.db2.gz PRNHKCKLYITTEM-AQNXPRMDSA-N 2 1 359.514 2.509 20 30 FFEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CCO2 ZINC001235608327 1037642516 /nfs/dbraw/zinc/64/25/16/1037642516.db2.gz HCLZKXXNSOHSGK-FCHUYYIVSA-N 2 1 356.510 2.906 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208427580 1038306387 /nfs/dbraw/zinc/30/63/87/1038306387.db2.gz CYDJBFKAPDJDRT-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208427580 1038306398 /nfs/dbraw/zinc/30/63/98/1038306398.db2.gz CYDJBFKAPDJDRT-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP CCOC(=O)N1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001256026334 1038322100 /nfs/dbraw/zinc/32/21/00/1038322100.db2.gz VNYHCWFMVHEFNX-UFYCRDLUSA-N 2 1 370.497 2.861 20 30 FFEDMP C#CCCC[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001209267981 1038739696 /nfs/dbraw/zinc/73/96/96/1038739696.db2.gz ZLVSRXZPKPQCNT-UHFFFAOYSA-N 2 1 353.510 2.650 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001246060467 1039229226 /nfs/dbraw/zinc/22/92/26/1039229226.db2.gz PHNUKSUVONHJBX-ROUUACIJSA-N 2 1 354.535 2.573 20 30 FFEDMP CCCCCCC[C@H](CC(C)C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923605 1039534995 /nfs/dbraw/zinc/53/49/95/1039534995.db2.gz CSQILXNERBWWDO-LJQANCHMSA-N 3 1 356.599 2.877 20 30 FFEDMP CCCCCCC[C@H](CC(C)C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923605 1039535008 /nfs/dbraw/zinc/53/50/08/1039535008.db2.gz CSQILXNERBWWDO-LJQANCHMSA-N 2 1 356.599 2.877 20 30 FFEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252595031 1039604189 /nfs/dbraw/zinc/60/41/89/1039604189.db2.gz CBUSGTPUOLMTJM-VSKRKVRLSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252595031 1039604199 /nfs/dbraw/zinc/60/41/99/1039604199.db2.gz CBUSGTPUOLMTJM-VSKRKVRLSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252595031 1039604204 /nfs/dbraw/zinc/60/42/04/1039604204.db2.gz CBUSGTPUOLMTJM-VSKRKVRLSA-N 2 1 362.558 2.774 20 30 FFEDMP N#Cc1ccc2[nH]cc(CC[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001252949821 1039857441 /nfs/dbraw/zinc/85/74/41/1039857441.db2.gz UJSJIFSTTCQDIP-HSZRJFAPSA-N 2 1 374.488 2.809 20 30 FFEDMP N#Cc1ccc2[nH]cc(CC[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001252949821 1039857451 /nfs/dbraw/zinc/85/74/51/1039857451.db2.gz UJSJIFSTTCQDIP-HSZRJFAPSA-N 2 1 374.488 2.809 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001248749533 1040394111 /nfs/dbraw/zinc/39/41/11/1040394111.db2.gz BMTPWOGZPASNDD-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001248749533 1040394129 /nfs/dbraw/zinc/39/41/29/1040394129.db2.gz BMTPWOGZPASNDD-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001248749533 1040394142 /nfs/dbraw/zinc/39/41/42/1040394142.db2.gz BMTPWOGZPASNDD-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001248749533 1040394161 /nfs/dbraw/zinc/39/41/61/1040394161.db2.gz BMTPWOGZPASNDD-YADHBBJMSA-N 2 1 363.509 2.808 20 30 FFEDMP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001254665763 1040865502 /nfs/dbraw/zinc/86/55/02/1040865502.db2.gz PWAFNVYBFWAKNW-PMACEKPBSA-N 2 1 354.498 2.688 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264592117 1042730346 /nfs/dbraw/zinc/73/03/46/1042730346.db2.gz CLJFNTYSGMDVNI-YPAWHYETSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264592117 1042730350 /nfs/dbraw/zinc/73/03/50/1042730350.db2.gz CLJFNTYSGMDVNI-YPAWHYETSA-N 2 1 367.537 2.714 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2CC1 ZINC001279311760 1042995498 /nfs/dbraw/zinc/99/54/98/1042995498.db2.gz CJEKWDPLBVWTQG-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2CC1 ZINC001279311760 1042995499 /nfs/dbraw/zinc/99/54/99/1042995499.db2.gz CJEKWDPLBVWTQG-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2CC1 ZINC001279311760 1042995500 /nfs/dbraw/zinc/99/55/00/1042995500.db2.gz CJEKWDPLBVWTQG-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2CC1 ZINC001279311760 1042995501 /nfs/dbraw/zinc/99/55/01/1042995501.db2.gz CJEKWDPLBVWTQG-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]2CC1 ZINC001279311760 1042995502 /nfs/dbraw/zinc/99/55/02/1042995502.db2.gz CJEKWDPLBVWTQG-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC001279372961 1043035221 /nfs/dbraw/zinc/03/52/21/1043035221.db2.gz NNXQNFBFJDZSTC-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001279595006 1043312079 /nfs/dbraw/zinc/31/20/79/1043312079.db2.gz HTTHXIXCBCFVGL-UHFFFAOYSA-N 2 1 350.466 2.520 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001280234470 1044439946 /nfs/dbraw/zinc/43/99/46/1044439946.db2.gz JVQVIVPMKFIZJO-KNKQGSTJSA-N 2 1 357.542 2.964 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316726904 1044663414 /nfs/dbraw/zinc/66/34/14/1044663414.db2.gz IOJZLPMKKCJWKR-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001316726904 1044663417 /nfs/dbraw/zinc/66/34/17/1044663417.db2.gz IOJZLPMKKCJWKR-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001316726904 1044663421 /nfs/dbraw/zinc/66/34/21/1044663421.db2.gz IOJZLPMKKCJWKR-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001316726904 1044663422 /nfs/dbraw/zinc/66/34/22/1044663422.db2.gz IOJZLPMKKCJWKR-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001318916712 1044937590 /nfs/dbraw/zinc/93/75/90/1044937590.db2.gz GUTJCCSNFGASFC-RTWAWAEBSA-N 2 1 355.526 2.736 20 30 FFEDMP N#Cc1cncc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278366182 1044944906 /nfs/dbraw/zinc/94/49/06/1044944906.db2.gz DJGWRTXQYPFSTA-UHFFFAOYSA-N 2 1 350.470 2.555 20 30 FFEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001318976611 1044966794 /nfs/dbraw/zinc/96/67/94/1044966794.db2.gz QNBIUIFGOZTJOJ-NCYKPQTJSA-N 2 1 355.526 2.925 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)CC[N@H+]1C ZINC001331199197 1049504449 /nfs/dbraw/zinc/50/44/49/1049504449.db2.gz FFFSFCYAUKVHGP-PWRODBHTSA-N 2 1 370.541 2.909 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC001335985253 1053686501 /nfs/dbraw/zinc/68/65/01/1053686501.db2.gz BOLZSCLILSISEC-KRWDZBQOSA-N 2 1 351.288 2.560 20 30 FFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338749309 1055781213 /nfs/dbraw/zinc/78/12/13/1055781213.db2.gz MFCXXMCURLLUEX-HKUYNNGSSA-N 2 1 372.561 2.932 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001515020025 1059230095 /nfs/dbraw/zinc/23/00/95/1059230095.db2.gz RQWFUSGGLISTSA-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C#C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000848236015 1059443524 /nfs/dbraw/zinc/44/35/24/1059443524.db2.gz RINBEWZNIGOCTH-OAQYLSRUSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001468831730 1064046360 /nfs/dbraw/zinc/04/63/60/1064046360.db2.gz REOKYSSQYDOKMQ-HKUYNNGSSA-N 2 1 356.514 2.513 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001468831730 1064046367 /nfs/dbraw/zinc/04/63/67/1064046367.db2.gz REOKYSSQYDOKMQ-HKUYNNGSSA-N 2 1 356.514 2.513 20 30 FFEDMP C=CC1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001574881580 1078089952 /nfs/dbraw/zinc/08/99/52/1078089952.db2.gz LGOAFXXPIBBODZ-HKUYNNGSSA-N 2 1 374.577 2.878 20 30 FFEDMP C=CCN(CC=C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001574927341 1078093870 /nfs/dbraw/zinc/09/38/70/1078093870.db2.gz KQNITMQLBFYJTM-MOPGFXCFSA-N 2 1 372.561 2.798 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575047473 1078099615 /nfs/dbraw/zinc/09/96/15/1078099615.db2.gz ASXAKMAFIKFPJL-LVCYWYKZSA-N 2 1 354.498 2.773 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575047473 1078099621 /nfs/dbraw/zinc/09/96/21/1078099621.db2.gz ASXAKMAFIKFPJL-LVCYWYKZSA-N 2 1 354.498 2.773 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001584324758 1079340968 /nfs/dbraw/zinc/34/09/68/1079340968.db2.gz ODFUWWDJPVGSGT-SFHVURJKSA-N 2 1 367.497 2.528 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001565884908 1076778925 /nfs/dbraw/zinc/77/89/25/1076778925.db2.gz FROHELRSOFUZFJ-VQTJNVASSA-N 2 1 353.510 2.633 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](CC)CC ZINC001566103704 1076907948 /nfs/dbraw/zinc/90/79/48/1076907948.db2.gz VTDXYLSCQUKHKE-HLAWJBBLSA-N 2 1 355.526 2.738 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+](CC)CC ZINC001566103704 1076907950 /nfs/dbraw/zinc/90/79/50/1076907950.db2.gz VTDXYLSCQUKHKE-HLAWJBBLSA-N 2 1 355.526 2.738 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000106275951 508398939 /nfs/dbraw/zinc/39/89/39/508398939.db2.gz FMXXXLPSKTXZJT-UHFFFAOYSA-N 2 1 370.541 2.597 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC000106388512 508399967 /nfs/dbraw/zinc/39/99/67/508399967.db2.gz HGOCNSLDMDLWNB-IBGZPJMESA-N 2 1 362.514 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC000106388512 508399968 /nfs/dbraw/zinc/39/99/68/508399968.db2.gz HGOCNSLDMDLWNB-IBGZPJMESA-N 2 1 362.514 2.580 20 30 FFEDMP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121769358 508414065 /nfs/dbraw/zinc/41/40/65/508414065.db2.gz VXOAHNPTZZZRRG-HXUWFJFHSA-N 2 1 354.498 2.673 20 30 FFEDMP C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000159005084 508779481 /nfs/dbraw/zinc/77/94/81/508779481.db2.gz CQSAUXRWSZIIRE-HKUYNNGSSA-N 2 1 351.454 2.713 20 30 FFEDMP C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000159005084 508779485 /nfs/dbraw/zinc/77/94/85/508779485.db2.gz CQSAUXRWSZIIRE-HKUYNNGSSA-N 2 1 351.454 2.713 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000132388133 509025520 /nfs/dbraw/zinc/02/55/20/509025520.db2.gz NJXFWQNKJFFMQI-DENIHFKCSA-N 2 1 367.537 2.843 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248398583 509294840 /nfs/dbraw/zinc/29/48/40/509294840.db2.gz NMWGPSDFZDRMAW-KKXYHZGYSA-N 2 1 370.541 2.787 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248398583 509294847 /nfs/dbraw/zinc/29/48/47/509294847.db2.gz NMWGPSDFZDRMAW-KKXYHZGYSA-N 2 1 370.541 2.787 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184743267 510495734 /nfs/dbraw/zinc/49/57/34/510495734.db2.gz NMWGPSDFZDRMAW-ZSYLPADVSA-N 2 1 370.541 2.787 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184743267 510495737 /nfs/dbraw/zinc/49/57/37/510495737.db2.gz NMWGPSDFZDRMAW-ZSYLPADVSA-N 2 1 370.541 2.787 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184754742 510501443 /nfs/dbraw/zinc/50/14/43/510501443.db2.gz BHJKOFNZNCKKRH-OALUTQOASA-N 2 1 355.526 2.933 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926171 510749559 /nfs/dbraw/zinc/74/95/59/510749559.db2.gz QGLRTPNVLFGKRN-YTQUADARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926171 510749563 /nfs/dbraw/zinc/74/95/63/510749563.db2.gz QGLRTPNVLFGKRN-YTQUADARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926171 510749570 /nfs/dbraw/zinc/74/95/70/510749570.db2.gz QGLRTPNVLFGKRN-YTQUADARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000246926171 510749577 /nfs/dbraw/zinc/74/95/77/510749577.db2.gz QGLRTPNVLFGKRN-YTQUADARSA-N 2 1 362.514 2.578 20 30 FFEDMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000329924964 510878789 /nfs/dbraw/zinc/87/87/89/510878789.db2.gz HXYBUMXFPXGREV-QGZVFWFLSA-N 2 1 351.535 2.833 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000285495156 510929962 /nfs/dbraw/zinc/92/99/62/510929962.db2.gz MHBOIIOOZCBUIM-JIRNRHONSA-N 2 1 374.525 2.720 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000285495156 510929966 /nfs/dbraw/zinc/92/99/66/510929966.db2.gz MHBOIIOOZCBUIM-JIRNRHONSA-N 2 1 374.525 2.720 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000285495156 510929970 /nfs/dbraw/zinc/92/99/70/510929970.db2.gz MHBOIIOOZCBUIM-JIRNRHONSA-N 2 1 374.525 2.720 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575609 510998971 /nfs/dbraw/zinc/99/89/71/510998971.db2.gz JREIKDUNZFWRKW-HSALFYBXSA-N 2 1 353.514 2.608 20 30 FFEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289190959 511096084 /nfs/dbraw/zinc/09/60/84/511096084.db2.gz AUXIQKYITOSJBD-YOFSQIOKSA-N 2 1 364.497 2.916 20 30 FFEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289190959 511096089 /nfs/dbraw/zinc/09/60/89/511096089.db2.gz AUXIQKYITOSJBD-YOFSQIOKSA-N 2 1 364.497 2.916 20 30 FFEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289190959 511096096 /nfs/dbraw/zinc/09/60/96/511096096.db2.gz AUXIQKYITOSJBD-YOFSQIOKSA-N 2 1 364.497 2.916 20 30 FFEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289190959 511096099 /nfs/dbraw/zinc/09/60/99/511096099.db2.gz AUXIQKYITOSJBD-YOFSQIOKSA-N 2 1 364.497 2.916 20 30 FFEDMP C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705504 513062192 /nfs/dbraw/zinc/06/21/92/513062192.db2.gz HEYHHYMFCZZPOK-UGKGYDQZSA-N 2 1 370.541 2.827 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705504 513062196 /nfs/dbraw/zinc/06/21/96/513062196.db2.gz HEYHHYMFCZZPOK-UGKGYDQZSA-N 2 1 370.541 2.827 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179128 514408392 /nfs/dbraw/zinc/40/83/92/514408392.db2.gz XTETYCQOEZQLLO-AABGKKOBSA-N 2 1 354.498 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475452356 514669566 /nfs/dbraw/zinc/66/95/66/514669566.db2.gz UFRDBXIGEIXTKL-HXUWFJFHSA-N 2 1 370.541 2.976 20 30 FFEDMP N#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000584498899 518368758 /nfs/dbraw/zinc/36/87/58/518368758.db2.gz LDTJYPDRIBJRNU-MRXNPFEDSA-N 2 1 355.404 2.904 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C#N)ccc3OC)CC2)CC1 ZINC000579128928 518536521 /nfs/dbraw/zinc/53/65/21/518536521.db2.gz OBYGALIOTJVKKQ-UHFFFAOYSA-N 2 1 370.497 2.702 20 30 FFEDMP CN(Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571047053 518902014 /nfs/dbraw/zinc/90/20/14/518902014.db2.gz HGHPXMIMZGBJFG-GOSISDBHSA-N 2 1 360.465 2.555 20 30 FFEDMP C=CCOc1ccc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000565579177 519025896 /nfs/dbraw/zinc/02/58/96/519025896.db2.gz QHVWFQOXBYOJOF-UHFFFAOYSA-N 2 1 366.465 2.579 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)C[C@H](C)O1 ZINC000594437277 519964678 /nfs/dbraw/zinc/96/46/78/519964678.db2.gz ASSSXXDXZSAJRN-FCEWJHQRSA-N 2 1 358.486 2.646 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)C[C@H](C)O1 ZINC000594437277 519964687 /nfs/dbraw/zinc/96/46/87/519964687.db2.gz ASSSXXDXZSAJRN-FCEWJHQRSA-N 2 1 358.486 2.646 20 30 FFEDMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439578 519967353 /nfs/dbraw/zinc/96/73/53/519967353.db2.gz XLZLGLCEUGOESA-HXUWFJFHSA-N 2 1 356.514 2.768 20 30 FFEDMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443778 519969048 /nfs/dbraw/zinc/96/90/48/519969048.db2.gz UPPZZPKQXRUGMM-RLLQIKCJSA-N 2 1 356.514 2.815 20 30 FFEDMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1Br ZINC000594447594 519972831 /nfs/dbraw/zinc/97/28/31/519972831.db2.gz ZZQXHPFCWHIJGY-HNNXBMFYSA-N 2 1 367.291 2.860 20 30 FFEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501885 520004561 /nfs/dbraw/zinc/00/45/61/520004561.db2.gz DLKSQIDBQMQHLH-IBGZPJMESA-N 2 1 356.514 2.520 20 30 FFEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501885 520004566 /nfs/dbraw/zinc/00/45/66/520004566.db2.gz DLKSQIDBQMQHLH-IBGZPJMESA-N 2 1 356.514 2.520 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259367 520376475 /nfs/dbraw/zinc/37/64/75/520376475.db2.gz LHFSOTYBTTXBGJ-WOJBJXKFSA-N 2 1 368.525 2.816 20 30 FFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000600727970 520428115 /nfs/dbraw/zinc/42/81/15/520428115.db2.gz MCMRDXNXTYULNT-HLAWJBBLSA-N 2 1 371.525 2.700 20 30 FFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000600727970 520428127 /nfs/dbraw/zinc/42/81/27/520428127.db2.gz MCMRDXNXTYULNT-HLAWJBBLSA-N 2 1 371.525 2.700 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862636 521339748 /nfs/dbraw/zinc/33/97/48/521339748.db2.gz XGRSTKWYYBTVEU-SFHVURJKSA-N 2 1 363.550 2.518 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533088 727987309 /nfs/dbraw/zinc/98/73/09/727987309.db2.gz QDBAXCZACFKHIG-CQSZACIVSA-N 2 1 351.288 2.893 20 30 FFEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533088 727987312 /nfs/dbraw/zinc/98/73/12/727987312.db2.gz QDBAXCZACFKHIG-CQSZACIVSA-N 2 1 351.288 2.893 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Br)ccc1F ZINC000303881274 729735196 /nfs/dbraw/zinc/73/51/96/729735196.db2.gz KRVMGFLTRGYDOX-CQSZACIVSA-N 2 1 371.298 2.519 20 30 FFEDMP CCOc1ccc(Cl)cc1CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000305286917 729738022 /nfs/dbraw/zinc/73/80/22/729738022.db2.gz FLTAGYJXTDCTMX-MRXNPFEDSA-N 2 1 352.910 2.670 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305665985 729738263 /nfs/dbraw/zinc/73/82/63/729738263.db2.gz HZSVFZNMOYXBKQ-PBHICJAKSA-N 2 1 370.900 2.803 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644549050 730480937 /nfs/dbraw/zinc/48/09/37/730480937.db2.gz HTUQPVRAPJDDDX-CQSZACIVSA-N 2 1 359.297 2.973 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000650852969 731032562 /nfs/dbraw/zinc/03/25/62/731032562.db2.gz XJWSBRZURMVDCF-UHFFFAOYSA-N 2 1 350.551 2.981 20 30 FFEDMP CC[NH+]1CCC(N2CCCN(Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877596496 732395469 /nfs/dbraw/zinc/39/54/69/732395469.db2.gz SUDMXTHIOSRMIN-UHFFFAOYSA-N 2 1 361.921 2.599 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000900466958 735650107 /nfs/dbraw/zinc/65/01/07/735650107.db2.gz KCWQEQYDBHTAGZ-UHFFFAOYSA-N 2 1 350.894 2.538 20 30 FFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104846336 970995713 /nfs/dbraw/zinc/99/57/13/970995713.db2.gz RMTVCDDBJNVBOL-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CC#Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974597374 972045918 /nfs/dbraw/zinc/04/59/18/972045918.db2.gz CWCGIXQIBGCATK-HBMCJLEFSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000974597374 972045928 /nfs/dbraw/zinc/04/59/28/972045928.db2.gz CWCGIXQIBGCATK-HBMCJLEFSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974597374 972045933 /nfs/dbraw/zinc/04/59/33/972045933.db2.gz CWCGIXQIBGCATK-HBMCJLEFSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000974597374 972045941 /nfs/dbraw/zinc/04/59/41/972045941.db2.gz CWCGIXQIBGCATK-HBMCJLEFSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000974597374 972045943 /nfs/dbraw/zinc/04/59/43/972045943.db2.gz CWCGIXQIBGCATK-HBMCJLEFSA-N 2 1 367.537 2.595 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000261953727 964438035 /nfs/dbraw/zinc/43/80/35/964438035.db2.gz LUQKUYVZSSPPAV-FPOVZHCZSA-N 2 1 364.578 2.822 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087467363 965068874 /nfs/dbraw/zinc/06/88/74/965068874.db2.gz RWDUGFUEXPSXOI-WOJBJXKFSA-N 2 1 359.489 2.628 20 30 FFEDMP CC[NH+]=C(NCc1cccc2cccnc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261995958 965177555 /nfs/dbraw/zinc/17/75/55/965177555.db2.gz SJACVXVKRWDDSG-HNAYVOBHSA-N 2 1 351.498 2.773 20 30 FFEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023605405 967986993 /nfs/dbraw/zinc/98/69/93/967986993.db2.gz YSQIWYLMLCMSLC-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023605405 967986999 /nfs/dbraw/zinc/98/69/99/967986999.db2.gz YSQIWYLMLCMSLC-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023605405 967987002 /nfs/dbraw/zinc/98/70/02/967987002.db2.gz YSQIWYLMLCMSLC-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCC=C)C1 ZINC001211618301 968065917 /nfs/dbraw/zinc/06/59/17/968065917.db2.gz NUWKRVVHPHMLHF-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCC=C)C1 ZINC001211618301 968065931 /nfs/dbraw/zinc/06/59/31/968065931.db2.gz NUWKRVVHPHMLHF-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2CC)CC[NH+]1C ZINC001087578887 968235159 /nfs/dbraw/zinc/23/51/59/968235159.db2.gz VNONLZWDXBKTSL-UWHLTILDSA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153717 973214129 /nfs/dbraw/zinc/21/41/29/973214129.db2.gz HVOREOBGVDAUFK-MJGOQNOKSA-N 2 1 365.481 2.627 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153717 973214135 /nfs/dbraw/zinc/21/41/35/973214135.db2.gz HVOREOBGVDAUFK-MJGOQNOKSA-N 2 1 365.481 2.627 20 30 FFEDMP CCO[C@@H]1C[C@@H](NC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=[NH+]C)C12CCCC2 ZINC000262440694 973235870 /nfs/dbraw/zinc/23/58/70/973235870.db2.gz UPFXVYKEECEFSC-BMSWRWNDSA-N 2 1 362.562 2.905 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000985440261 974084453 /nfs/dbraw/zinc/08/44/53/974084453.db2.gz JRJYHBJHKQYIKF-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC000985440261 974084457 /nfs/dbraw/zinc/08/44/57/974084457.db2.gz JRJYHBJHKQYIKF-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC000985440261 974084464 /nfs/dbraw/zinc/08/44/64/974084464.db2.gz JRJYHBJHKQYIKF-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530131 975488563 /nfs/dbraw/zinc/48/85/63/975488563.db2.gz FKVWXHOQSVBHKC-IPJJNNNSSA-N 2 1 370.541 2.938 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001112531504 975941715 /nfs/dbraw/zinc/94/17/15/975941715.db2.gz ANQRGJUNDHQENF-GMAHTHKFSA-N 2 1 369.553 2.955 20 30 FFEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811219 976654624 /nfs/dbraw/zinc/65/46/24/976654624.db2.gz RGJCJSXYYIAUBG-HJNYFJLDSA-N 2 1 367.537 2.739 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811219 976654630 /nfs/dbraw/zinc/65/46/30/976654630.db2.gz RGJCJSXYYIAUBG-HJNYFJLDSA-N 2 1 367.537 2.739 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811219 976654635 /nfs/dbraw/zinc/65/46/35/976654635.db2.gz RGJCJSXYYIAUBG-HJNYFJLDSA-N 2 1 367.537 2.739 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088811219 976654639 /nfs/dbraw/zinc/65/46/39/976654639.db2.gz RGJCJSXYYIAUBG-HJNYFJLDSA-N 2 1 367.537 2.739 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087459831 977994615 /nfs/dbraw/zinc/99/46/15/977994615.db2.gz AGBKMIYCQOIAAO-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087459831 977994619 /nfs/dbraw/zinc/99/46/19/977994619.db2.gz AGBKMIYCQOIAAO-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087459831 977994623 /nfs/dbraw/zinc/99/46/23/977994623.db2.gz AGBKMIYCQOIAAO-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087460067 978000476 /nfs/dbraw/zinc/00/04/76/978000476.db2.gz NLRNITDNSXEGGC-WOJBJXKFSA-N 2 1 359.489 2.772 20 30 FFEDMP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001105425272 979590762 /nfs/dbraw/zinc/59/07/62/979590762.db2.gz FNUHRAMKAYFZMC-RQGSJKACSA-N 2 1 355.526 2.709 20 30 FFEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001105425688 979630127 /nfs/dbraw/zinc/63/01/27/979630127.db2.gz WPHLKRGZARPJTI-RQGSJKACSA-N 2 1 355.526 2.709 20 30 FFEDMP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001105427415 979691539 /nfs/dbraw/zinc/69/15/39/979691539.db2.gz LEDYMGFTXDXREU-YXTQBTIXSA-N 2 1 364.493 2.896 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107426021 984527601 /nfs/dbraw/zinc/52/76/01/984527601.db2.gz ZDVLUWMIXAOLRJ-JFIYKMOQSA-N 2 1 359.917 2.780 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001107457598 984561925 /nfs/dbraw/zinc/56/19/25/984561925.db2.gz FHSCNPLFVVNEKC-UYAOXDASSA-N 2 1 360.502 2.677 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001107457598 984561926 /nfs/dbraw/zinc/56/19/26/984561926.db2.gz FHSCNPLFVVNEKC-UYAOXDASSA-N 2 1 360.502 2.677 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494821 984596949 /nfs/dbraw/zinc/59/69/49/984596949.db2.gz APCWBJWWVWKPGD-VQIMIIECSA-N 2 1 353.938 2.974 20 30 FFEDMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cccc(C#N)c1)CC2 ZINC001107598756 984777153 /nfs/dbraw/zinc/77/71/53/984777153.db2.gz VSUSCFSSFMMFSU-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001107598756 984777155 /nfs/dbraw/zinc/77/71/55/984777155.db2.gz VSUSCFSSFMMFSU-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107598756 984777157 /nfs/dbraw/zinc/77/71/57/984777157.db2.gz VSUSCFSSFMMFSU-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403450 986144398 /nfs/dbraw/zinc/14/43/98/986144398.db2.gz KNXIDNCYXCVQRM-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403450 986144404 /nfs/dbraw/zinc/14/44/04/986144404.db2.gz KNXIDNCYXCVQRM-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403450 986144409 /nfs/dbraw/zinc/14/44/09/986144409.db2.gz KNXIDNCYXCVQRM-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000922389238 988536785 /nfs/dbraw/zinc/53/67/85/988536785.db2.gz SKLBJYGQBDXHKO-YSFYHYPLSA-N 2 1 370.541 2.606 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001034217857 989975854 /nfs/dbraw/zinc/97/58/54/989975854.db2.gz WJHYLKKGEIRISW-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001034217857 989975865 /nfs/dbraw/zinc/97/58/65/989975865.db2.gz WJHYLKKGEIRISW-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001034217857 989975874 /nfs/dbraw/zinc/97/58/74/989975874.db2.gz WJHYLKKGEIRISW-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001034217857 989975885 /nfs/dbraw/zinc/97/58/85/989975885.db2.gz WJHYLKKGEIRISW-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001079186417 991895894 /nfs/dbraw/zinc/89/58/94/991895894.db2.gz KNMNJZFTTMMGFH-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1ccccc1F ZINC001079310704 992011329 /nfs/dbraw/zinc/01/13/29/992011329.db2.gz FICIDIWRRJSAQY-PKOBYXMFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131588043 994417945 /nfs/dbraw/zinc/41/79/45/994417945.db2.gz NOVSILDEDKWIMO-QFUCXCTJSA-N 2 1 365.562 2.669 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769212 997277977 /nfs/dbraw/zinc/27/79/77/997277977.db2.gz ZRLINNWIYDZJIE-UZKOGDIHSA-N 2 1 355.526 2.962 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769212 997277988 /nfs/dbraw/zinc/27/79/88/997277988.db2.gz ZRLINNWIYDZJIE-UZKOGDIHSA-N 2 1 355.526 2.962 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccc(OC)cc1 ZINC001090872287 997540908 /nfs/dbraw/zinc/54/09/08/997540908.db2.gz HRMRKAPYLVAGBK-PWRODBHTSA-N 2 1 371.525 2.640 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085217806 999185349 /nfs/dbraw/zinc/18/53/49/999185349.db2.gz RPEWDHVEDKAWLJ-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085229858 999214577 /nfs/dbraw/zinc/21/45/77/999214577.db2.gz NQZLCISFGUMDRM-AQNXPRMDSA-N 2 1 357.542 2.681 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085229858 999214585 /nfs/dbraw/zinc/21/45/85/999214585.db2.gz NQZLCISFGUMDRM-AQNXPRMDSA-N 2 1 357.542 2.681 20 30 FFEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001096608080 1016348362 /nfs/dbraw/zinc/34/83/62/1016348362.db2.gz PIEMXMGGRCWDPC-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001096608080 1016348366 /nfs/dbraw/zinc/34/83/66/1016348366.db2.gz PIEMXMGGRCWDPC-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001096608080 1016348374 /nfs/dbraw/zinc/34/83/74/1016348374.db2.gz PIEMXMGGRCWDPC-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001096608080 1016348383 /nfs/dbraw/zinc/34/83/83/1016348383.db2.gz PIEMXMGGRCWDPC-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109466183 1000515048 /nfs/dbraw/zinc/51/50/48/1000515048.db2.gz OEYXRMBEVKRKCL-COXVUDFISA-N 2 1 360.527 2.572 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001109466183 1000515049 /nfs/dbraw/zinc/51/50/49/1000515049.db2.gz OEYXRMBEVKRKCL-COXVUDFISA-N 2 1 360.527 2.572 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109466183 1000515051 /nfs/dbraw/zinc/51/50/51/1000515051.db2.gz OEYXRMBEVKRKCL-COXVUDFISA-N 2 1 360.527 2.572 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109466183 1000515060 /nfs/dbraw/zinc/51/50/60/1000515060.db2.gz OEYXRMBEVKRKCL-COXVUDFISA-N 2 1 360.527 2.572 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001109720129 1000907248 /nfs/dbraw/zinc/90/72/48/1000907248.db2.gz VLTXUFYYIJHRGD-NHAYFPRASA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720129 1000907253 /nfs/dbraw/zinc/90/72/53/1000907253.db2.gz VLTXUFYYIJHRGD-NHAYFPRASA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109720129 1000907261 /nfs/dbraw/zinc/90/72/61/1000907261.db2.gz VLTXUFYYIJHRGD-NHAYFPRASA-N 2 1 351.510 2.887 20 30 FFEDMP N#CC1(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001182560128 1001957268 /nfs/dbraw/zinc/95/72/68/1001957268.db2.gz BPNJEDLFVUIBNY-FQEVSTJZSA-N 2 1 366.509 2.535 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091944155 1002141605 /nfs/dbraw/zinc/14/16/05/1002141605.db2.gz SASZSQSLFFUDNR-LMMKCTJWSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091944155 1002141613 /nfs/dbraw/zinc/14/16/13/1002141613.db2.gz SASZSQSLFFUDNR-LMMKCTJWSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944155 1002141617 /nfs/dbraw/zinc/14/16/17/1002141617.db2.gz SASZSQSLFFUDNR-LMMKCTJWSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944155 1002141626 /nfs/dbraw/zinc/14/16/26/1002141626.db2.gz SASZSQSLFFUDNR-LMMKCTJWSA-N 2 1 353.938 2.641 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086592110 1002524754 /nfs/dbraw/zinc/52/47/54/1002524754.db2.gz WESHAMSIWMFSHK-ZCNNSNEGSA-N 2 1 364.493 2.921 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086592110 1002524763 /nfs/dbraw/zinc/52/47/63/1002524763.db2.gz WESHAMSIWMFSHK-ZCNNSNEGSA-N 2 1 364.493 2.921 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001086600837 1002754132 /nfs/dbraw/zinc/75/41/32/1002754132.db2.gz QNZUQGQHPOMLDE-PWRODBHTSA-N 2 1 353.510 2.631 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658518 1003363446 /nfs/dbraw/zinc/36/34/46/1003363446.db2.gz YFIUTGNXJWGELL-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658518 1003363458 /nfs/dbraw/zinc/36/34/58/1003363458.db2.gz YFIUTGNXJWGELL-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658518 1003363469 /nfs/dbraw/zinc/36/34/69/1003363469.db2.gz YFIUTGNXJWGELL-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321522 1004703711 /nfs/dbraw/zinc/70/37/11/1004703711.db2.gz ZJXANDZUJLZTEU-RTBURBONSA-N 2 1 365.562 2.547 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321522 1004703715 /nfs/dbraw/zinc/70/37/15/1004703715.db2.gz ZJXANDZUJLZTEU-RTBURBONSA-N 2 1 365.562 2.547 20 30 FFEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001489238950 1005447382 /nfs/dbraw/zinc/44/73/82/1005447382.db2.gz QNULLVZVJATVBK-VSKRKVRLSA-N 2 1 367.537 2.716 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000852867393 1006213617 /nfs/dbraw/zinc/21/36/17/1006213617.db2.gz URANVWPHLLKGSP-QHCPKHFHSA-N 2 1 365.521 2.504 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000113325222 1007339945 /nfs/dbraw/zinc/33/99/45/1007339945.db2.gz RTXBDXOMMABMIS-UHFFFAOYSA-N 2 1 363.505 2.736 20 30 FFEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886313990 1008635540 /nfs/dbraw/zinc/63/55/40/1008635540.db2.gz JBFWIBVOOOIERX-NJYVYQBISA-N 2 1 353.510 2.885 20 30 FFEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886313990 1008635549 /nfs/dbraw/zinc/63/55/49/1008635549.db2.gz JBFWIBVOOOIERX-NJYVYQBISA-N 2 1 353.510 2.885 20 30 FFEDMP C[C@]12C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000886313990 1008635559 /nfs/dbraw/zinc/63/55/59/1008635559.db2.gz JBFWIBVOOOIERX-NJYVYQBISA-N 2 1 353.510 2.885 20 30 FFEDMP C[C@]12C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000886313990 1008635564 /nfs/dbraw/zinc/63/55/64/1008635564.db2.gz JBFWIBVOOOIERX-NJYVYQBISA-N 2 1 353.510 2.885 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225925 1010170490 /nfs/dbraw/zinc/17/04/90/1010170490.db2.gz UUPLWRPGLXLZRT-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225925 1010170500 /nfs/dbraw/zinc/17/05/00/1010170500.db2.gz UUPLWRPGLXLZRT-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225925 1010170509 /nfs/dbraw/zinc/17/05/09/1010170509.db2.gz UUPLWRPGLXLZRT-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001110147384 1010347754 /nfs/dbraw/zinc/34/77/54/1010347754.db2.gz ZOZFBMYFFXGFBU-NRDMVMEKSA-N 2 1 359.558 2.735 20 30 FFEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001094379787 1011085251 /nfs/dbraw/zinc/08/52/51/1011085251.db2.gz ALGMULDUQMHXEL-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001094379787 1011085256 /nfs/dbraw/zinc/08/52/56/1011085256.db2.gz ALGMULDUQMHXEL-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001094379787 1011085261 /nfs/dbraw/zinc/08/52/61/1011085261.db2.gz ALGMULDUQMHXEL-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094433738 1011117878 /nfs/dbraw/zinc/11/78/78/1011117878.db2.gz ADWKKONIXITGNY-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433738 1011117882 /nfs/dbraw/zinc/11/78/82/1011117882.db2.gz ADWKKONIXITGNY-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433738 1011117885 /nfs/dbraw/zinc/11/78/85/1011117885.db2.gz ADWKKONIXITGNY-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509808 1011179659 /nfs/dbraw/zinc/17/96/59/1011179659.db2.gz MGHYLOVCWXDHIE-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509808 1011179662 /nfs/dbraw/zinc/17/96/62/1011179662.db2.gz MGHYLOVCWXDHIE-YFVAEKQCSA-N 2 1 356.514 2.691 20 30 FFEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN(C3CC3)C(=O)C2)cc1 ZINC001172002707 1011561710 /nfs/dbraw/zinc/56/17/10/1011561710.db2.gz AUHWKTZQXCEMDQ-JBACZVJFSA-N 2 1 366.509 2.784 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276338312 1011944348 /nfs/dbraw/zinc/94/43/48/1011944348.db2.gz HZWVTYDKSITABG-IRLDBZIGSA-N 2 1 355.526 2.832 20 30 FFEDMP COC(=O)N1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172734545 1011970890 /nfs/dbraw/zinc/97/08/90/1011970890.db2.gz IKDOLYWXYWBXSJ-WGSAOQKQSA-N 2 1 370.497 2.861 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303405483 1012130853 /nfs/dbraw/zinc/13/08/53/1012130853.db2.gz QFBWUVNLZQASEX-CALCHBBNSA-N 2 1 370.497 2.754 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000304758857 1012864820 /nfs/dbraw/zinc/86/48/20/1012864820.db2.gz QOHQZTQGPGDQKF-FQEVSTJZSA-N 2 1 357.546 2.812 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H]1CCCc2ccccc21 ZINC000304761330 1012870511 /nfs/dbraw/zinc/87/05/11/1012870511.db2.gz UHGJBSKKMPRMLX-ICSRJNTNSA-N 2 1 358.530 2.859 20 30 FFEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001275743672 1012953102 /nfs/dbraw/zinc/95/31/02/1012953102.db2.gz ULPOYBSVQQUPMF-OAQYLSRUSA-N 2 1 360.546 2.727 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059654 1019851765 /nfs/dbraw/zinc/85/17/65/1019851765.db2.gz BDBGWXUHKKCHPJ-GHTZIAJQSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059654 1019851785 /nfs/dbraw/zinc/85/17/85/1019851785.db2.gz BDBGWXUHKKCHPJ-GHTZIAJQSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000930059654 1019851795 /nfs/dbraw/zinc/85/17/95/1019851795.db2.gz BDBGWXUHKKCHPJ-GHTZIAJQSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000930059654 1019851806 /nfs/dbraw/zinc/85/18/06/1019851806.db2.gz BDBGWXUHKKCHPJ-GHTZIAJQSA-N 2 1 351.494 2.945 20 30 FFEDMP C=CCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217861572 1032890764 /nfs/dbraw/zinc/89/07/64/1032890764.db2.gz RZKULVOGFPGHSP-HSALFYBXSA-N 2 1 363.546 2.517 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217861572 1032890783 /nfs/dbraw/zinc/89/07/83/1032890783.db2.gz RZKULVOGFPGHSP-HSALFYBXSA-N 2 1 363.546 2.517 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217861572 1032890798 /nfs/dbraw/zinc/89/07/98/1032890798.db2.gz RZKULVOGFPGHSP-HSALFYBXSA-N 2 1 363.546 2.517 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(C#N)ccn1 ZINC000902832774 1020508971 /nfs/dbraw/zinc/50/89/71/1020508971.db2.gz PPVRDKQYDQDWGE-INIZCTEOSA-N 2 1 350.466 2.761 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960195 1021482149 /nfs/dbraw/zinc/48/21/49/1021482149.db2.gz QYFQDDGEICGZTF-SCTDSRPQSA-N 2 1 351.922 2.584 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960195 1021482156 /nfs/dbraw/zinc/48/21/56/1021482156.db2.gz QYFQDDGEICGZTF-SCTDSRPQSA-N 2 1 351.922 2.584 20 30 FFEDMP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990850 1021543324 /nfs/dbraw/zinc/54/33/24/1021543324.db2.gz INPVHWKIEGWVBR-AOIWGVFYSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098990850 1021543330 /nfs/dbraw/zinc/54/33/30/1021543330.db2.gz INPVHWKIEGWVBR-AOIWGVFYSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990850 1021543341 /nfs/dbraw/zinc/54/33/41/1021543341.db2.gz INPVHWKIEGWVBR-AOIWGVFYSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098990850 1021543346 /nfs/dbraw/zinc/54/33/46/1021543346.db2.gz INPVHWKIEGWVBR-AOIWGVFYSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098990850 1021543357 /nfs/dbraw/zinc/54/33/57/1021543357.db2.gz INPVHWKIEGWVBR-AOIWGVFYSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099345601 1022335733 /nfs/dbraw/zinc/33/57/33/1022335733.db2.gz KFCQXFHVJHISQG-ZACQAIPSSA-N 2 1 369.431 2.844 20 30 FFEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OCc2ccccc2)cc1 ZINC001218207329 1033048333 /nfs/dbraw/zinc/04/83/33/1033048333.db2.gz PKEIYACDVKCUDR-LEWJYISDSA-N 2 1 366.461 2.597 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000755776563 1023634661 /nfs/dbraw/zinc/63/46/61/1023634661.db2.gz ADSVJNSNELJGNY-FQEVSTJZSA-N 2 1 364.497 2.746 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121582946 1023863202 /nfs/dbraw/zinc/86/32/02/1023863202.db2.gz YVMHCLWXCHUUIX-ZWKOTPCHSA-N 2 1 358.534 2.543 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121582946 1023863205 /nfs/dbraw/zinc/86/32/05/1023863205.db2.gz YVMHCLWXCHUUIX-ZWKOTPCHSA-N 2 1 358.534 2.543 20 30 FFEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001276301638 1024033365 /nfs/dbraw/zinc/03/33/65/1024033365.db2.gz BWJQDBBCNUOUAE-NJDAHSKKSA-N 2 1 353.510 2.760 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001101425299 1024707736 /nfs/dbraw/zinc/70/77/36/1024707736.db2.gz DUTOJGMYIMDLRK-IRLDBZIGSA-N 2 1 359.558 2.855 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157752 1025508795 /nfs/dbraw/zinc/50/87/95/1025508795.db2.gz PATMEQHFQIGSRV-FGTMMUONSA-N 2 1 358.530 2.801 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157752 1025508803 /nfs/dbraw/zinc/50/88/03/1025508803.db2.gz PATMEQHFQIGSRV-FGTMMUONSA-N 2 1 358.530 2.801 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148039 1027004952 /nfs/dbraw/zinc/00/49/52/1027004952.db2.gz LLJVYSRZCNJNJO-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148039 1027004961 /nfs/dbraw/zinc/00/49/61/1027004961.db2.gz LLJVYSRZCNJNJO-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148039 1027004968 /nfs/dbraw/zinc/00/49/68/1027004968.db2.gz LLJVYSRZCNJNJO-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001103407758 1027417902 /nfs/dbraw/zinc/41/79/02/1027417902.db2.gz RXJQRIJNJIKLGT-CEMLEFRQSA-N 2 1 369.553 2.699 20 30 FFEDMP C#CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684354 1027803561 /nfs/dbraw/zinc/80/35/61/1027803561.db2.gz SRFGXOWAHNRUJC-YADHBBJMSA-N 2 1 361.489 2.640 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001103773761 1028181853 /nfs/dbraw/zinc/18/18/53/1028181853.db2.gz PSTCBAJNWNIQLK-QZTJIDSGSA-N 2 1 359.514 2.833 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283353 1028489240 /nfs/dbraw/zinc/48/92/40/1028489240.db2.gz YDYOZKXGNXMRCV-GUDVDZBRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2nnn3c2C[NH2+]CCC3)cc1 ZINC001162978832 1028744511 /nfs/dbraw/zinc/74/45/11/1028744511.db2.gz GZKFPCUARMGCKH-LJQANCHMSA-N 2 1 352.486 2.706 20 30 FFEDMP C[NH+](C)CCCNC(=S)NN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841624777 1030376150 /nfs/dbraw/zinc/37/61/50/1030376150.db2.gz WISXKJMCGIGXLC-IBGZPJMESA-N 2 1 373.570 2.758 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001348 1031484976 /nfs/dbraw/zinc/48/49/76/1031484976.db2.gz QHVJJUGYXKRBJY-XYJFISCASA-N 2 1 371.472 2.588 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001348 1031484982 /nfs/dbraw/zinc/48/49/82/1031484982.db2.gz QHVJJUGYXKRBJY-XYJFISCASA-N 2 1 371.472 2.588 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](CCC)CCC)[C@H]2C1 ZINC001218951965 1033422266 /nfs/dbraw/zinc/42/22/66/1033422266.db2.gz GJPAUMIIPXQWIO-VQTJNVASSA-N 2 1 365.562 2.766 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC/C=C\CC)[C@H]3C2)CC1 ZINC001224227393 1033784346 /nfs/dbraw/zinc/78/43/46/1033784346.db2.gz JVPHAPNXZUQPPE-NGQOVYEWSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1OC ZINC001138347339 1034182102 /nfs/dbraw/zinc/18/21/02/1034182102.db2.gz HWJKBIAGLGMFKX-UHFFFAOYSA-N 2 1 351.450 2.733 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC001139769718 1035225714 /nfs/dbraw/zinc/22/57/14/1035225714.db2.gz OLOHWJPFORICLB-IBGZPJMESA-N 2 1 370.497 2.918 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCCCCC ZINC001229181022 1036535650 /nfs/dbraw/zinc/53/56/50/1036535650.db2.gz PVPXQBBXWRSVFK-RTBURBONSA-N 2 1 353.551 2.718 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001230274780 1037187480 /nfs/dbraw/zinc/18/74/80/1037187480.db2.gz LCMZDCIVHYNFLQ-YPAWHYETSA-N 2 1 367.537 2.930 20 30 FFEDMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207281460 1037310742 /nfs/dbraw/zinc/31/07/42/1037310742.db2.gz DRHPOJIHFQNDKN-OAQYLSRUSA-N 2 1 354.498 2.575 20 30 FFEDMP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236039537 1037901148 /nfs/dbraw/zinc/90/11/48/1037901148.db2.gz XXHQLQSGDIWNDX-WIYYLYMNSA-N 2 1 358.482 2.616 20 30 FFEDMP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236039537 1037901158 /nfs/dbraw/zinc/90/11/58/1037901158.db2.gz XXHQLQSGDIWNDX-WIYYLYMNSA-N 2 1 358.482 2.616 20 30 FFEDMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1 ZINC001232146499 1038195874 /nfs/dbraw/zinc/19/58/74/1038195874.db2.gz QOEFZNGAWVYFIT-UHFFFAOYSA-N 2 1 367.472 2.866 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001208570928 1038418429 /nfs/dbraw/zinc/41/84/29/1038418429.db2.gz CTPGGEUUBMNGDY-HMXCVIKNSA-N 2 1 355.526 2.595 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001208570928 1038418435 /nfs/dbraw/zinc/41/84/35/1038418435.db2.gz CTPGGEUUBMNGDY-HMXCVIKNSA-N 2 1 355.526 2.595 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637189 1038464039 /nfs/dbraw/zinc/46/40/39/1038464039.db2.gz JARKYXJICGATDI-RHSMWYFYSA-N 2 1 362.543 2.534 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637189 1038464050 /nfs/dbraw/zinc/46/40/50/1038464050.db2.gz JARKYXJICGATDI-RHSMWYFYSA-N 2 1 362.543 2.534 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208637189 1038464056 /nfs/dbraw/zinc/46/40/56/1038464056.db2.gz JARKYXJICGATDI-RHSMWYFYSA-N 2 1 362.543 2.534 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208637189 1038464063 /nfs/dbraw/zinc/46/40/63/1038464063.db2.gz JARKYXJICGATDI-RHSMWYFYSA-N 2 1 362.543 2.534 20 30 FFEDMP CC(C)N1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257220465 1038749259 /nfs/dbraw/zinc/74/92/59/1038749259.db2.gz QIADOQKBQRSLFC-QFIPXVFZSA-N 2 1 366.509 2.860 20 30 FFEDMP CC(C)[NH+]1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257220465 1038749264 /nfs/dbraw/zinc/74/92/64/1038749264.db2.gz QIADOQKBQRSLFC-QFIPXVFZSA-N 2 1 366.509 2.860 20 30 FFEDMP C=CCCCCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209441249 1038865567 /nfs/dbraw/zinc/86/55/67/1038865567.db2.gz IWGLFZRZKFOPEE-UHFFFAOYSA-N 2 1 362.518 2.851 20 30 FFEDMP C=CCCCCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209441249 1038865592 /nfs/dbraw/zinc/86/55/92/1038865592.db2.gz IWGLFZRZKFOPEE-UHFFFAOYSA-N 2 1 362.518 2.851 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001246060465 1039227790 /nfs/dbraw/zinc/22/77/90/1039227790.db2.gz PHNUKSUVONHJBX-QZTJIDSGSA-N 2 1 354.535 2.573 20 30 FFEDMP C=CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001252465367 1039545209 /nfs/dbraw/zinc/54/52/09/1039545209.db2.gz FZAXJRKQMIGXGY-INIZCTEOSA-N 2 1 361.873 2.574 20 30 FFEDMP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001252552802 1039594789 /nfs/dbraw/zinc/59/47/89/1039594789.db2.gz MLFCSYBUCFCKBB-SJLPKXTDSA-N 2 1 350.528 2.740 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@H]3C2)cn1 ZINC001249428288 1040756263 /nfs/dbraw/zinc/75/62/63/1040756263.db2.gz JOBPBOCZTDQVAH-WOJBJXKFSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@H]3C2)cn1 ZINC001249428288 1040756277 /nfs/dbraw/zinc/75/62/77/1040756277.db2.gz JOBPBOCZTDQVAH-WOJBJXKFSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@H]3C2)cn1 ZINC001249428288 1040756294 /nfs/dbraw/zinc/75/62/94/1040756294.db2.gz JOBPBOCZTDQVAH-WOJBJXKFSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5ccc(C#N)cc5[nH]4)C[C@H]3C2)cn1 ZINC001249428288 1040756311 /nfs/dbraw/zinc/75/63/11/1040756311.db2.gz JOBPBOCZTDQVAH-WOJBJXKFSA-N 2 1 374.492 2.727 20 30 FFEDMP CSc1nc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)ccc1C#N ZINC001278843242 1041165255 /nfs/dbraw/zinc/16/52/55/1041165255.db2.gz VHAVPZYQVOZTFA-UHFFFAOYSA-N 2 1 373.570 2.525 20 30 FFEDMP CSc1nc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)ccc1C#N ZINC001278843242 1041165261 /nfs/dbraw/zinc/16/52/61/1041165261.db2.gz VHAVPZYQVOZTFA-UHFFFAOYSA-N 2 1 373.570 2.525 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215544406 1041822061 /nfs/dbraw/zinc/82/20/61/1041822061.db2.gz SZUJOJQRMWELLK-JTDSTZFVSA-N 2 1 360.502 2.675 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001262977496 1042004013 /nfs/dbraw/zinc/00/40/13/1042004013.db2.gz HCQWSLILZOFZLM-WDSOQIARSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001262977496 1042004019 /nfs/dbraw/zinc/00/40/19/1042004019.db2.gz HCQWSLILZOFZLM-WDSOQIARSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001262977496 1042004027 /nfs/dbraw/zinc/00/40/27/1042004027.db2.gz HCQWSLILZOFZLM-WDSOQIARSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001262977496 1042004030 /nfs/dbraw/zinc/00/40/30/1042004030.db2.gz HCQWSLILZOFZLM-WDSOQIARSA-N 2 1 370.545 2.684 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264623615 1042754730 /nfs/dbraw/zinc/75/47/30/1042754730.db2.gz HMTXVSZZEPSRGV-XUVXKRRUSA-N 2 1 356.514 2.614 20 30 FFEDMP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001279311990 1042995358 /nfs/dbraw/zinc/99/53/58/1042995358.db2.gz GVRPAFHEUQOHAW-UHFFFAOYSA-N 2 1 362.468 2.686 20 30 FFEDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001279311990 1042995360 /nfs/dbraw/zinc/99/53/60/1042995360.db2.gz GVRPAFHEUQOHAW-UHFFFAOYSA-N 2 1 362.468 2.686 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001343297709 1052144717 /nfs/dbraw/zinc/14/47/17/1052144717.db2.gz FOJXKTWRSGFLTK-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001343297709 1052144725 /nfs/dbraw/zinc/14/47/25/1052144725.db2.gz FOJXKTWRSGFLTK-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001343824356 1052438909 /nfs/dbraw/zinc/43/89/09/1052438909.db2.gz UQAIOFFTZCLNHJ-FGTMMUONSA-N 2 1 360.550 2.582 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC001477493394 1061721218 /nfs/dbraw/zinc/72/12/18/1061721218.db2.gz VKVORNHXPDYANX-OAQYLSRUSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC001477493394 1061721241 /nfs/dbraw/zinc/72/12/41/1061721241.db2.gz VKVORNHXPDYANX-OAQYLSRUSA-N 2 1 368.525 2.569 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001479453448 1062421307 /nfs/dbraw/zinc/42/13/07/1062421307.db2.gz DANQLWHKYMLYFK-WMQCIHAUSA-N 2 1 368.525 2.807 20 30 FFEDMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OCCCC#N ZINC001579216082 1078591564 /nfs/dbraw/zinc/59/15/64/1078591564.db2.gz BIRJONKNWPQFMB-OAHLLOKOSA-N 2 1 353.413 2.712 20 30 FFEDMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001565986999 1076831389 /nfs/dbraw/zinc/83/13/89/1076831389.db2.gz XFXNZKKXXWJAOZ-OPYAIIAOSA-N 2 1 365.537 2.829 20 30 FFEDMP N#Cc1sc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1Cl ZINC000286183060 257024527 /nfs/dbraw/zinc/02/45/27/257024527.db2.gz JJKKIODIVDEBCM-UHFFFAOYSA-N 2 1 362.890 2.687 20 30 FFEDMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCCC1 ZINC000074191077 507996132 /nfs/dbraw/zinc/99/61/32/507996132.db2.gz QVLBSVOUSZZOMZ-LJQANCHMSA-N 2 1 368.525 2.857 20 30 FFEDMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCCC1 ZINC000074191077 507996133 /nfs/dbraw/zinc/99/61/33/507996133.db2.gz QVLBSVOUSZZOMZ-LJQANCHMSA-N 2 1 368.525 2.857 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111495959 508104285 /nfs/dbraw/zinc/10/42/85/508104285.db2.gz ZBXHNSAODSRBSV-GOSISDBHSA-N 2 1 358.530 2.847 20 30 FFEDMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)CC1 ZINC000367202373 512383195 /nfs/dbraw/zinc/38/31/95/512383195.db2.gz YZYWOIIDSTUYCX-UHFFFAOYSA-N 2 1 360.889 2.958 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)CC1 ZINC000367202373 512383199 /nfs/dbraw/zinc/38/31/99/512383199.db2.gz YZYWOIIDSTUYCX-UHFFFAOYSA-N 2 1 360.889 2.958 20 30 FFEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143093 508298912 /nfs/dbraw/zinc/29/89/12/508298912.db2.gz MTORLAFMVPWYDR-GOSISDBHSA-N 2 1 356.514 2.591 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000104173347 508329481 /nfs/dbraw/zinc/32/94/81/508329481.db2.gz UJVHFTLQLGFKNU-HNNXBMFYSA-N 2 1 368.481 2.877 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000104173347 508329484 /nfs/dbraw/zinc/32/94/84/508329484.db2.gz UJVHFTLQLGFKNU-HNNXBMFYSA-N 2 1 368.481 2.877 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106263577 508398778 /nfs/dbraw/zinc/39/87/78/508398778.db2.gz BGELYMFKHZXJBA-HDICACEKSA-N 2 1 350.551 2.694 20 30 FFEDMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122037673 508471117 /nfs/dbraw/zinc/47/11/17/508471117.db2.gz UFLYEGRECIWDJY-OTWHNJEPSA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122037673 508471120 /nfs/dbraw/zinc/47/11/20/508471120.db2.gz UFLYEGRECIWDJY-OTWHNJEPSA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122037673 508471122 /nfs/dbraw/zinc/47/11/22/508471122.db2.gz UFLYEGRECIWDJY-OTWHNJEPSA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122037673 508471125 /nfs/dbraw/zinc/47/11/25/508471125.db2.gz UFLYEGRECIWDJY-OTWHNJEPSA-N 2 1 368.525 2.854 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(OC)c1 ZINC000123190503 508649257 /nfs/dbraw/zinc/64/92/57/508649257.db2.gz QGLRTPNVLFGKRN-WDSOQIARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123190503 508649261 /nfs/dbraw/zinc/64/92/61/508649261.db2.gz QGLRTPNVLFGKRN-WDSOQIARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123190503 508649264 /nfs/dbraw/zinc/64/92/64/508649264.db2.gz QGLRTPNVLFGKRN-WDSOQIARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000123190503 508649268 /nfs/dbraw/zinc/64/92/68/508649268.db2.gz QGLRTPNVLFGKRN-WDSOQIARSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000150831837 508903716 /nfs/dbraw/zinc/90/37/16/508903716.db2.gz UYCWRBWSVLAMFU-WOJBJXKFSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000150831837 508903720 /nfs/dbraw/zinc/90/37/20/508903720.db2.gz UYCWRBWSVLAMFU-WOJBJXKFSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)CC1 ZINC000185665596 509294512 /nfs/dbraw/zinc/29/45/12/509294512.db2.gz GZSMTJASPJDGSV-NRFANRHFSA-N 2 1 370.541 2.943 20 30 FFEDMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717501 509321195 /nfs/dbraw/zinc/32/11/95/509321195.db2.gz UDEXHAXPNFJTRQ-QRFRQXIXSA-N 2 1 357.498 2.541 20 30 FFEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267314081 509443447 /nfs/dbraw/zinc/44/34/47/509443447.db2.gz OFUQRSLOIFGSCY-KRWDZBQOSA-N 2 1 357.546 2.566 20 30 FFEDMP C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCN1CC[NH+](C)CC1 ZINC000182952919 509515133 /nfs/dbraw/zinc/51/51/33/509515133.db2.gz URIUVRXXSMDEAN-UHFFFAOYSA-N 2 1 369.431 2.506 20 30 FFEDMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249755578 509754360 /nfs/dbraw/zinc/75/43/60/509754360.db2.gz UFLYEGRECIWDJY-GUDVDZBRSA-N 2 1 368.525 2.854 20 30 FFEDMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249755578 509754366 /nfs/dbraw/zinc/75/43/66/509754366.db2.gz UFLYEGRECIWDJY-GUDVDZBRSA-N 2 1 368.525 2.854 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180986311 510223423 /nfs/dbraw/zinc/22/34/23/510223423.db2.gz CEHAFLRZYJUIAV-JOCHJYFZSA-N 2 1 364.489 2.945 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194148129 510237626 /nfs/dbraw/zinc/23/76/26/510237626.db2.gz VFTPDCHHCJDXQU-HXUWFJFHSA-N 2 1 370.541 2.848 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000172249614 510625099 /nfs/dbraw/zinc/62/50/99/510625099.db2.gz TUMCZASFGSJQKW-QGZVFWFLSA-N 2 1 372.513 2.852 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000330008254 510900400 /nfs/dbraw/zinc/90/04/00/510900400.db2.gz FGBVBYKBDKFDQH-ZIAGYGMSSA-N 2 1 358.490 2.648 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000330008254 510900406 /nfs/dbraw/zinc/90/04/06/510900406.db2.gz FGBVBYKBDKFDQH-ZIAGYGMSSA-N 2 1 358.490 2.648 20 30 FFEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459602 511090126 /nfs/dbraw/zinc/09/01/26/511090126.db2.gz UGOYFQACIJUDME-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459602 511090131 /nfs/dbraw/zinc/09/01/31/511090131.db2.gz UGOYFQACIJUDME-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459602 511090136 /nfs/dbraw/zinc/09/01/36/511090136.db2.gz UGOYFQACIJUDME-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279459602 511090142 /nfs/dbraw/zinc/09/01/42/511090142.db2.gz UGOYFQACIJUDME-QGZVFWFLSA-N 2 1 352.486 2.632 20 30 FFEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC000329135239 511990335 /nfs/dbraw/zinc/99/03/35/511990335.db2.gz GIAZOURMSDCGCA-IRXDYDNUSA-N 2 1 359.518 2.627 20 30 FFEDMP N#CC1(NC(=O)[C@H]2CCn3ccnc3C2)CCN(Cc2ccccc2)CC1 ZINC000329251046 512013659 /nfs/dbraw/zinc/01/36/59/512013659.db2.gz URWIRXOILXYPQX-SFHVURJKSA-N 2 1 363.465 2.960 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369589898 512499113 /nfs/dbraw/zinc/49/91/13/512499113.db2.gz AXPUBLSPXVWGEA-FQEVSTJZSA-N 2 1 353.510 2.503 20 30 FFEDMP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000376387413 512796202 /nfs/dbraw/zinc/79/62/02/512796202.db2.gz QOXKZABXVSOSOU-OAHLLOKOSA-N 2 1 358.486 2.903 20 30 FFEDMP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000376387413 512796205 /nfs/dbraw/zinc/79/62/05/512796205.db2.gz QOXKZABXVSOSOU-OAHLLOKOSA-N 2 1 358.486 2.903 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705501 513062053 /nfs/dbraw/zinc/06/20/53/513062053.db2.gz HEYHHYMFCZZPOK-DENIHFKCSA-N 2 1 370.541 2.827 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705501 513062057 /nfs/dbraw/zinc/06/20/57/513062057.db2.gz HEYHHYMFCZZPOK-DENIHFKCSA-N 2 1 370.541 2.827 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(OC)c1O ZINC000370706393 513063124 /nfs/dbraw/zinc/06/31/24/513063124.db2.gz MGNOJHOUPANEKI-FXAWDEMLSA-N 2 1 373.541 2.587 20 30 FFEDMP C=CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(OC)c1O ZINC000370706393 513063126 /nfs/dbraw/zinc/06/31/26/513063126.db2.gz MGNOJHOUPANEKI-FXAWDEMLSA-N 2 1 373.541 2.587 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CC2(C#N)CCC2)CC1)Cc1ccccc1 ZINC000450470192 513210953 /nfs/dbraw/zinc/21/09/53/513210953.db2.gz RPJZSWXIQMCWTR-UHFFFAOYSA-N 2 1 368.525 2.640 20 30 FFEDMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413175837 513500712 /nfs/dbraw/zinc/50/07/12/513500712.db2.gz KDOWFBQXLCTLBB-KSZLIROESA-N 2 1 356.514 2.710 20 30 FFEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000414535067 514168386 /nfs/dbraw/zinc/16/83/86/514168386.db2.gz XPDWXUCBNDQVAW-TZIWHRDSSA-N 2 1 352.482 2.523 20 30 FFEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000414535067 514168392 /nfs/dbraw/zinc/16/83/92/514168392.db2.gz XPDWXUCBNDQVAW-TZIWHRDSSA-N 2 1 352.482 2.523 20 30 FFEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470995453 514708783 /nfs/dbraw/zinc/70/87/83/514708783.db2.gz OYYBPSNVFGTCRG-SESVDKBCSA-N 2 1 355.526 2.863 20 30 FFEDMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000466713502 514739536 /nfs/dbraw/zinc/73/95/36/514739536.db2.gz OKEWMTFTKIKBBZ-QGZVFWFLSA-N 2 1 372.513 2.708 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1)CC1CC1 ZINC000469758969 515952935 /nfs/dbraw/zinc/95/29/35/515952935.db2.gz UNQLUCLSFZXEPM-KRWDZBQOSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000484082537 516293055 /nfs/dbraw/zinc/29/30/55/516293055.db2.gz RJAZMHXLAQNEBW-WOJBJXKFSA-N 2 1 356.510 2.628 20 30 FFEDMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000512659066 516319227 /nfs/dbraw/zinc/31/92/27/516319227.db2.gz CPCNHQRKCCREPH-HNNXBMFYSA-N 2 1 368.456 2.840 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC(C)(C)[C@@H]3C#N)CC2)CC1 ZINC000553239749 517594198 /nfs/dbraw/zinc/59/41/98/517594198.db2.gz VCYBUJGZPRQRES-IBGZPJMESA-N 2 1 360.546 2.723 20 30 FFEDMP C[N@H+]1CCC[C@@H](CNCc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420875 518745012 /nfs/dbraw/zinc/74/50/12/518745012.db2.gz NAPDZYTZPSIITB-MAUKXSAKSA-N 2 1 366.494 2.835 20 30 FFEDMP CN1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420875 518745017 /nfs/dbraw/zinc/74/50/17/518745017.db2.gz NAPDZYTZPSIITB-MAUKXSAKSA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420875 518745019 /nfs/dbraw/zinc/74/50/19/518745019.db2.gz NAPDZYTZPSIITB-MAUKXSAKSA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1c1cccs1 ZINC000582420875 518745022 /nfs/dbraw/zinc/74/50/22/518745022.db2.gz NAPDZYTZPSIITB-MAUKXSAKSA-N 2 1 366.494 2.835 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600716381 520415681 /nfs/dbraw/zinc/41/56/81/520415681.db2.gz KUBCSLCVOVZOQO-WSTZPKSXSA-N 2 1 359.514 2.646 20 30 FFEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004453015 742232804 /nfs/dbraw/zinc/23/28/04/742232804.db2.gz VFISMLDBIYNJCD-NXHRZFHOSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004453015 742232807 /nfs/dbraw/zinc/23/28/07/742232807.db2.gz VFISMLDBIYNJCD-NXHRZFHOSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004453015 742232808 /nfs/dbraw/zinc/23/28/08/742232808.db2.gz VFISMLDBIYNJCD-NXHRZFHOSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938521 743309346 /nfs/dbraw/zinc/30/93/46/743309346.db2.gz DMNQNTJWVKVZRM-ZHALLVOQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938521 743309354 /nfs/dbraw/zinc/30/93/54/743309354.db2.gz DMNQNTJWVKVZRM-ZHALLVOQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938521 743309358 /nfs/dbraw/zinc/30/93/58/743309358.db2.gz DMNQNTJWVKVZRM-ZHALLVOQSA-N 2 1 353.938 2.784 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104354097 963853398 /nfs/dbraw/zinc/85/33/98/963853398.db2.gz RLOSQXVRCVOOGJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000104162785 965985436 /nfs/dbraw/zinc/98/54/36/965985436.db2.gz OYYKHKOZFQLQHE-UHFFFAOYSA-N 2 1 365.525 2.923 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087625905 968409259 /nfs/dbraw/zinc/40/92/59/968409259.db2.gz ZIIOGGSWVXOOHG-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087625905 968409266 /nfs/dbraw/zinc/40/92/66/968409266.db2.gz ZIIOGGSWVXOOHG-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087625905 968409272 /nfs/dbraw/zinc/40/92/72/968409272.db2.gz ZIIOGGSWVXOOHG-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087625905 968409278 /nfs/dbraw/zinc/40/92/78/968409278.db2.gz ZIIOGGSWVXOOHG-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087727998 968774592 /nfs/dbraw/zinc/77/45/92/968774592.db2.gz WYKRMYPDXVADLP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087727998 968774602 /nfs/dbraw/zinc/77/46/02/968774602.db2.gz WYKRMYPDXVADLP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087727998 968774610 /nfs/dbraw/zinc/77/46/10/968774610.db2.gz WYKRMYPDXVADLP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)[C@@H]2CC)CC1 ZINC001087840041 970522190 /nfs/dbraw/zinc/52/21/90/970522190.db2.gz DWSVJXOPKXRPHE-LEWJYISDSA-N 2 1 371.569 2.881 20 30 FFEDMP C=CCCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCC1 ZINC000660714003 972614560 /nfs/dbraw/zinc/61/45/60/972614560.db2.gz WVBBUXRJOCIMOE-GOSISDBHSA-N 2 1 362.562 2.981 20 30 FFEDMP C=CCCC1(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCC1 ZINC000660714003 972614568 /nfs/dbraw/zinc/61/45/68/972614568.db2.gz WVBBUXRJOCIMOE-GOSISDBHSA-N 2 1 362.562 2.981 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262459844 973339706 /nfs/dbraw/zinc/33/97/06/973339706.db2.gz MCRNDONGGPSBQM-PMACEKPBSA-N 3 1 363.594 2.633 20 30 FFEDMP Cc1cccc(-c2cccc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)c2)c1 ZINC000303977144 974173181 /nfs/dbraw/zinc/17/31/81/974173181.db2.gz LBBHGFOTPLIWQU-UHFFFAOYSA-N 2 1 366.509 2.789 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001027419815 974408173 /nfs/dbraw/zinc/40/81/73/974408173.db2.gz UERRYVMJTHQEIC-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001027419815 974408175 /nfs/dbraw/zinc/40/81/75/974408175.db2.gz UERRYVMJTHQEIC-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001027419815 974408179 /nfs/dbraw/zinc/40/81/79/974408179.db2.gz UERRYVMJTHQEIC-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529791 975361502 /nfs/dbraw/zinc/36/15/02/975361502.db2.gz PLSGUELRAWYYNI-YYWHXJBOSA-N 2 1 365.537 2.993 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087436428 977013113 /nfs/dbraw/zinc/01/31/13/977013113.db2.gz QPRMPLLYWAZTQT-NHCUHLMSSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087458025 977917245 /nfs/dbraw/zinc/91/72/45/977917245.db2.gz FIJYPUDQZKFLOB-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087458025 977917251 /nfs/dbraw/zinc/91/72/51/977917251.db2.gz FIJYPUDQZKFLOB-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087458025 977917256 /nfs/dbraw/zinc/91/72/56/977917256.db2.gz FIJYPUDQZKFLOB-IOMROCGXSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000668368981 980200019 /nfs/dbraw/zinc/20/00/19/980200019.db2.gz LMEWSUJKHYNBIZ-HXUWFJFHSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042370 1014763501 /nfs/dbraw/zinc/76/35/01/1014763501.db2.gz PQLUYWMXEPVVGZ-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042370 1014763509 /nfs/dbraw/zinc/76/35/09/1014763509.db2.gz PQLUYWMXEPVVGZ-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000969042370 1014763518 /nfs/dbraw/zinc/76/35/18/1014763518.db2.gz PQLUYWMXEPVVGZ-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@](C)(c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107606776 984786029 /nfs/dbraw/zinc/78/60/29/984786029.db2.gz IWAJOKLHVOFHSH-AKIFATBCSA-N 2 1 367.537 2.848 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@](C)(c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107606777 984786157 /nfs/dbraw/zinc/78/61/57/984786157.db2.gz IWAJOKLHVOFHSH-YMPZKCBVSA-N 2 1 367.537 2.848 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001107646320 984936034 /nfs/dbraw/zinc/93/60/34/984936034.db2.gz HEYOTCPFHHODEF-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107646320 984936036 /nfs/dbraw/zinc/93/60/36/984936036.db2.gz HEYOTCPFHHODEF-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107646320 984936042 /nfs/dbraw/zinc/93/60/42/984936042.db2.gz HEYOTCPFHHODEF-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)CC1 ZINC001088952200 985582505 /nfs/dbraw/zinc/58/25/05/985582505.db2.gz DXPJYTIGWBJYPO-KNQAVFIVSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)CC1 ZINC001088952200 985582513 /nfs/dbraw/zinc/58/25/13/985582513.db2.gz DXPJYTIGWBJYPO-KNQAVFIVSA-N 2 1 367.537 2.738 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106149548 987274873 /nfs/dbraw/zinc/27/48/73/987274873.db2.gz OFZBKEBYSNBUQT-FVQBIDKESA-N 2 1 352.910 2.833 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497603 987782510 /nfs/dbraw/zinc/78/25/10/987782510.db2.gz QJPGIJRNEKGQQU-HSALFYBXSA-N 2 1 367.578 2.893 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497603 987782514 /nfs/dbraw/zinc/78/25/14/987782514.db2.gz QJPGIJRNEKGQQU-HSALFYBXSA-N 2 1 367.578 2.893 20 30 FFEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001484993142 991806059 /nfs/dbraw/zinc/80/60/59/991806059.db2.gz XNOPKQFRLUWAEF-FRQCXROJSA-N 2 1 361.917 2.516 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079298983 991986228 /nfs/dbraw/zinc/98/62/28/991986228.db2.gz QMFTYFHEIRKIMN-HFSMHLIXSA-N 2 1 371.500 2.606 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080553489 993158658 /nfs/dbraw/zinc/15/86/58/993158658.db2.gz YXNNOFVQQBPPCF-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080553489 993158664 /nfs/dbraw/zinc/15/86/64/993158664.db2.gz YXNNOFVQQBPPCF-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080553489 993158669 /nfs/dbraw/zinc/15/86/69/993158669.db2.gz YXNNOFVQQBPPCF-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082612250 995088823 /nfs/dbraw/zinc/08/88/23/995088823.db2.gz CYSJYNCQPPNFEG-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001133398242 995489746 /nfs/dbraw/zinc/48/97/46/995489746.db2.gz LVXAWCUNUYASSL-VQIMIIECSA-N 2 1 361.917 2.622 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769211 997278448 /nfs/dbraw/zinc/27/84/48/997278448.db2.gz ZRLINNWIYDZJIE-SYYKKAFVSA-N 2 1 355.526 2.962 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084769211 997278461 /nfs/dbraw/zinc/27/84/61/997278461.db2.gz ZRLINNWIYDZJIE-SYYKKAFVSA-N 2 1 355.526 2.962 20 30 FFEDMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1)[NH+](C)C ZINC001085024941 998704040 /nfs/dbraw/zinc/70/40/40/998704040.db2.gz QIEFBDGCWCZDJZ-QHAWAJNXSA-N 2 1 368.525 2.567 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001085104410 998954082 /nfs/dbraw/zinc/95/40/82/998954082.db2.gz FVUUQWXOGMWFBP-MJGOQNOKSA-N 2 1 357.498 2.681 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1 ZINC001085229709 999216048 /nfs/dbraw/zinc/21/60/48/999216048.db2.gz GHSGSUFSVNCHJK-VSKRKVRLSA-N 2 1 367.537 2.652 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1 ZINC001085229709 999216049 /nfs/dbraw/zinc/21/60/49/999216049.db2.gz GHSGSUFSVNCHJK-VSKRKVRLSA-N 2 1 367.537 2.652 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109652569 1000786957 /nfs/dbraw/zinc/78/69/57/1000786957.db2.gz ALLNHVSGCCNQCG-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109652569 1000786961 /nfs/dbraw/zinc/78/69/61/1000786961.db2.gz ALLNHVSGCCNQCG-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](CC)CC ZINC001109709721 1000877859 /nfs/dbraw/zinc/87/78/59/1000877859.db2.gz VCPZRLYISQEVPI-ANULTFPQSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001109714307 1000896680 /nfs/dbraw/zinc/89/66/80/1000896680.db2.gz GMIPKVPCJUDZFD-ANULTFPQSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001109714307 1000896685 /nfs/dbraw/zinc/89/66/85/1000896685.db2.gz GMIPKVPCJUDZFD-ANULTFPQSA-N 2 1 368.525 2.900 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110014768 1001304964 /nfs/dbraw/zinc/30/49/64/1001304964.db2.gz HUYONICRFPXJFM-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110014768 1001304969 /nfs/dbraw/zinc/30/49/69/1001304969.db2.gz HUYONICRFPXJFM-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110014768 1001304975 /nfs/dbraw/zinc/30/49/75/1001304975.db2.gz HUYONICRFPXJFM-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110014768 1001304982 /nfs/dbraw/zinc/30/49/82/1001304982.db2.gz HUYONICRFPXJFM-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091944156 1002142262 /nfs/dbraw/zinc/14/22/62/1002142262.db2.gz SASZSQSLFFUDNR-SCTDSRPQSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091944156 1002142268 /nfs/dbraw/zinc/14/22/68/1002142268.db2.gz SASZSQSLFFUDNR-SCTDSRPQSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944156 1002142272 /nfs/dbraw/zinc/14/22/72/1002142272.db2.gz SASZSQSLFFUDNR-SCTDSRPQSA-N 2 1 353.938 2.641 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944156 1002142279 /nfs/dbraw/zinc/14/22/79/1002142279.db2.gz SASZSQSLFFUDNR-SCTDSRPQSA-N 2 1 353.938 2.641 20 30 FFEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086589432 1002439675 /nfs/dbraw/zinc/43/96/75/1002439675.db2.gz ZPCYRZJLFDXYCR-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001086589432 1002439681 /nfs/dbraw/zinc/43/96/81/1002439681.db2.gz ZPCYRZJLFDXYCR-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001086589432 1002439687 /nfs/dbraw/zinc/43/96/87/1002439687.db2.gz ZPCYRZJLFDXYCR-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001086592374 1002532264 /nfs/dbraw/zinc/53/22/64/1002532264.db2.gz KAKMSVZHROZQJZ-BHDDXSALSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001086592374 1002532275 /nfs/dbraw/zinc/53/22/75/1002532275.db2.gz KAKMSVZHROZQJZ-BHDDXSALSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086592374 1002532283 /nfs/dbraw/zinc/53/22/83/1002532283.db2.gz KAKMSVZHROZQJZ-BHDDXSALSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086592374 1002532291 /nfs/dbraw/zinc/53/22/91/1002532291.db2.gz KAKMSVZHROZQJZ-BHDDXSALSA-N 2 1 365.521 2.611 20 30 FFEDMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C#N ZINC001116139355 1032149365 /nfs/dbraw/zinc/14/93/65/1032149365.db2.gz OUMRSGCJYKMVCC-UHFFFAOYSA-N 2 1 364.493 2.604 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001489117771 1005413491 /nfs/dbraw/zinc/41/34/91/1005413491.db2.gz VVPVQXVQRQGFKK-RBUKOAKNSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001489269281 1005443730 /nfs/dbraw/zinc/44/37/30/1005443730.db2.gz HTDNXUZSKCSBCD-AHRSYUTCSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489269281 1005443731 /nfs/dbraw/zinc/44/37/31/1005443731.db2.gz HTDNXUZSKCSBCD-AHRSYUTCSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489269281 1005443732 /nfs/dbraw/zinc/44/37/32/1005443732.db2.gz HTDNXUZSKCSBCD-AHRSYUTCSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357391 1005810894 /nfs/dbraw/zinc/81/08/94/1005810894.db2.gz IGBADBPDAZYEOI-QFIPXVFZSA-N 2 1 364.489 2.945 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858709 1006209727 /nfs/dbraw/zinc/20/97/27/1006209727.db2.gz HJZHXHXGOKVDFH-KDURUIRLSA-N 2 1 367.537 2.784 20 30 FFEDMP CCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000852861747 1006211557 /nfs/dbraw/zinc/21/15/57/1006211557.db2.gz IIMYUIAHCPUQMM-NQIIRXRSSA-N 2 1 353.510 2.673 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)c(F)c1 ZINC001110741014 1008316272 /nfs/dbraw/zinc/31/62/72/1008316272.db2.gz NQAKNNBVIMYFPW-QRQLOZEOSA-N 2 1 372.488 2.649 20 30 FFEDMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886671778 1008807833 /nfs/dbraw/zinc/80/78/33/1008807833.db2.gz CTTQLJHZTIKFIM-SFHVURJKSA-N 2 1 354.454 2.518 20 30 FFEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104181575 1009934129 /nfs/dbraw/zinc/93/41/29/1009934129.db2.gz ILEUZEMAODOLGI-QGZVFWFLSA-N 2 1 362.518 2.763 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001094241465 1010984855 /nfs/dbraw/zinc/98/48/55/1010984855.db2.gz GHTMSAHJHOVGTJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001274432509 1011438984 /nfs/dbraw/zinc/43/89/84/1011438984.db2.gz DEFYGHRAZXKWBB-JKSUJKDBSA-N 2 1 359.436 2.514 20 30 FFEDMP C#CCOCCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077411 1011615133 /nfs/dbraw/zinc/61/51/33/1011615133.db2.gz RIJFMIYKQHKVHY-KOUNCHBCSA-N 2 1 356.510 2.828 20 30 FFEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001172253657 1011726461 /nfs/dbraw/zinc/72/64/61/1011726461.db2.gz YXPKDRGLIQVLLX-OAQYLSRUSA-N 2 1 357.498 2.902 20 30 FFEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001172253657 1011726474 /nfs/dbraw/zinc/72/64/74/1011726474.db2.gz YXPKDRGLIQVLLX-OAQYLSRUSA-N 2 1 357.498 2.902 20 30 FFEDMP CCCCCCCCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275118733 1011961158 /nfs/dbraw/zinc/96/11/58/1011961158.db2.gz HJULPCKQTOESIZ-NRFANRHFSA-N 2 1 367.578 2.992 20 30 FFEDMP CCCCCCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001275119947 1011970407 /nfs/dbraw/zinc/97/04/07/1011970407.db2.gz ZCANONYMGCGHNR-NRFANRHFSA-N 2 1 367.578 2.850 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000303885218 1012499637 /nfs/dbraw/zinc/49/96/37/1012499637.db2.gz JNXFPHMWEUPLLG-UHFFFAOYSA-N 2 1 362.518 2.763 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000304763704 1012870629 /nfs/dbraw/zinc/87/06/29/1012870629.db2.gz XDLDGDNWXVIZMP-ZCNNSNEGSA-N 2 1 358.530 2.851 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000928125767 1018826637 /nfs/dbraw/zinc/82/66/37/1018826637.db2.gz ZTEQROROTHFPCK-IAGOWNOFSA-N 2 1 369.431 2.673 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000928125767 1018826655 /nfs/dbraw/zinc/82/66/55/1018826655.db2.gz ZTEQROROTHFPCK-IAGOWNOFSA-N 2 1 369.431 2.673 20 30 FFEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902741833 1020442554 /nfs/dbraw/zinc/44/25/54/1020442554.db2.gz WXQQLXSNPZEDHZ-PGRDOPGGSA-N 2 1 363.509 2.983 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001111018387 1020605325 /nfs/dbraw/zinc/60/53/25/1020605325.db2.gz SLNKLOFUPYBCLA-AXUOBQJMSA-N 2 1 374.554 2.962 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+](CC)CC ZINC001111018387 1020605329 /nfs/dbraw/zinc/60/53/29/1020605329.db2.gz SLNKLOFUPYBCLA-AXUOBQJMSA-N 2 1 374.554 2.962 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001098461159 1020927702 /nfs/dbraw/zinc/92/77/02/1020927702.db2.gz REAZQQKSZDNVPG-NJYVYQBISA-N 2 1 357.542 2.633 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C(F)(F)F ZINC001099273944 1022206138 /nfs/dbraw/zinc/20/61/38/1022206138.db2.gz NMIYNALAQNEKEE-HUUCEWRRSA-N 2 1 361.452 2.804 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270163 1022880522 /nfs/dbraw/zinc/88/05/22/1022880522.db2.gz INKBYLFSRQVDKF-CGXNFDGLSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270163 1022880539 /nfs/dbraw/zinc/88/05/39/1022880539.db2.gz INKBYLFSRQVDKF-CGXNFDGLSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270163 1022880551 /nfs/dbraw/zinc/88/05/51/1022880551.db2.gz INKBYLFSRQVDKF-CGXNFDGLSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270163 1022880559 /nfs/dbraw/zinc/88/05/59/1022880559.db2.gz INKBYLFSRQVDKF-CGXNFDGLSA-N 2 1 371.525 2.604 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001102596745 1026392197 /nfs/dbraw/zinc/39/21/97/1026392197.db2.gz WGNNKNIOXGXZLE-UYAOXDASSA-N 2 1 361.574 2.842 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138250 1026994739 /nfs/dbraw/zinc/99/47/39/1026994739.db2.gz ALGGQCYADUPTQV-UAFMIMERSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138250 1026994742 /nfs/dbraw/zinc/99/47/42/1026994742.db2.gz ALGGQCYADUPTQV-UAFMIMERSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103138250 1026994745 /nfs/dbraw/zinc/99/47/45/1026994745.db2.gz ALGGQCYADUPTQV-UAFMIMERSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103138250 1026994749 /nfs/dbraw/zinc/99/47/49/1026994749.db2.gz ALGGQCYADUPTQV-UAFMIMERSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536877 1027649370 /nfs/dbraw/zinc/64/93/70/1027649370.db2.gz HBGBAVVUHCPXPL-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536877 1027649381 /nfs/dbraw/zinc/64/93/81/1027649381.db2.gz HBGBAVVUHCPXPL-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001111874091 1029655577 /nfs/dbraw/zinc/65/55/77/1029655577.db2.gz MIJFUURGBFTUIA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001111874091 1029655582 /nfs/dbraw/zinc/65/55/82/1029655582.db2.gz MIJFUURGBFTUIA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001111874091 1029655586 /nfs/dbraw/zinc/65/55/86/1029655586.db2.gz MIJFUURGBFTUIA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001111874091 1029655590 /nfs/dbraw/zinc/65/55/90/1029655590.db2.gz MIJFUURGBFTUIA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407975 1031720162 /nfs/dbraw/zinc/72/01/62/1031720162.db2.gz NPHMTIKWAHCJFY-PWRODBHTSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223904217 1033638595 /nfs/dbraw/zinc/63/85/95/1033638595.db2.gz RDDSWLHMHATWRK-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223904217 1033638600 /nfs/dbraw/zinc/63/86/00/1033638600.db2.gz RDDSWLHMHATWRK-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904217 1033638606 /nfs/dbraw/zinc/63/86/06/1033638606.db2.gz RDDSWLHMHATWRK-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904217 1033638616 /nfs/dbraw/zinc/63/86/16/1033638616.db2.gz RDDSWLHMHATWRK-HLAWJBBLSA-N 2 1 353.510 2.626 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223956142 1033660971 /nfs/dbraw/zinc/66/09/71/1033660971.db2.gz ZGDNMBALECTDQZ-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001220524650 1034235446 /nfs/dbraw/zinc/23/54/46/1034235446.db2.gz OJLIEFVBVZNMAA-KDURUIRLSA-N 2 1 370.541 2.529 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228168084 1035972134 /nfs/dbraw/zinc/97/21/34/1035972134.db2.gz VVCNTMDTLLZGTD-AQNXPRMDSA-N 2 1 365.562 2.859 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168084 1035972142 /nfs/dbraw/zinc/97/21/42/1035972142.db2.gz VVCNTMDTLLZGTD-AQNXPRMDSA-N 2 1 365.562 2.859 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000836489050 1036586029 /nfs/dbraw/zinc/58/60/29/1036586029.db2.gz VAAINXVUJJGTPA-FPOVZHCZSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489050 1036586035 /nfs/dbraw/zinc/58/60/35/1036586035.db2.gz VAAINXVUJJGTPA-FPOVZHCZSA-N 2 1 370.541 2.541 20 30 FFEDMP C=CCN(CC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1)C(=O)OCC ZINC001235367374 1037510852 /nfs/dbraw/zinc/51/08/52/1037510852.db2.gz SMOKUURCXBEWGW-RBBKRZOGSA-N 2 1 371.525 2.884 20 30 FFEDMP C=CCN(CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1)C(=O)OCC ZINC001235367374 1037510861 /nfs/dbraw/zinc/51/08/61/1037510861.db2.gz SMOKUURCXBEWGW-RBBKRZOGSA-N 2 1 371.525 2.884 20 30 FFEDMP N#CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001256967780 1038664952 /nfs/dbraw/zinc/66/49/52/1038664952.db2.gz JISODUCBERVTCF-BCKAPOECSA-N 2 1 354.498 2.687 20 30 FFEDMP N#CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001256967780 1038664953 /nfs/dbraw/zinc/66/49/53/1038664953.db2.gz JISODUCBERVTCF-BCKAPOECSA-N 2 1 354.498 2.687 20 30 FFEDMP N#CC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001256967780 1038664958 /nfs/dbraw/zinc/66/49/58/1038664958.db2.gz JISODUCBERVTCF-BCKAPOECSA-N 2 1 354.498 2.687 20 30 FFEDMP N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCC[NH+]4CCCCC4)C3)CC2=O)c1 ZINC001209450572 1038876633 /nfs/dbraw/zinc/87/66/33/1038876633.db2.gz NKTTXLUEDKRFLJ-QFIPXVFZSA-N 2 1 366.509 2.863 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001246303439 1039306155 /nfs/dbraw/zinc/30/61/55/1039306155.db2.gz HJAADFOIJAASGR-KRWDZBQOSA-N 2 1 368.518 2.515 20 30 FFEDMP C=CCCCCCC[C@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001253241787 1040065854 /nfs/dbraw/zinc/06/58/54/1040065854.db2.gz DIEGGLGSXKGSQR-NRFANRHFSA-N 2 1 351.579 2.833 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322135 1040447168 /nfs/dbraw/zinc/44/71/68/1040447168.db2.gz BWRPJCTXJVTMCK-VAMGGRTRSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322135 1040447184 /nfs/dbraw/zinc/44/71/84/1040447184.db2.gz BWRPJCTXJVTMCK-VAMGGRTRSA-N 2 1 367.578 2.894 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588426 1040693199 /nfs/dbraw/zinc/69/31/99/1040693199.db2.gz GJKJFJWNOKVLIM-IPMKNSEASA-N 2 1 353.551 2.669 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588426 1040693201 /nfs/dbraw/zinc/69/32/01/1040693201.db2.gz GJKJFJWNOKVLIM-IPMKNSEASA-N 2 1 353.551 2.669 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588426 1040693204 /nfs/dbraw/zinc/69/32/04/1040693204.db2.gz GJKJFJWNOKVLIM-IPMKNSEASA-N 2 1 353.551 2.669 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254571656 1040808525 /nfs/dbraw/zinc/80/85/25/1040808525.db2.gz ZXCKKOHSTXDTGZ-LJQANCHMSA-N 2 1 372.513 2.817 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001255365927 1041296481 /nfs/dbraw/zinc/29/64/81/1041296481.db2.gz ZICSMUAJRBFOOT-SFHVURJKSA-N 2 1 362.562 2.626 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001255365927 1041296491 /nfs/dbraw/zinc/29/64/91/1041296491.db2.gz ZICSMUAJRBFOOT-SFHVURJKSA-N 2 1 362.562 2.626 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001264038740 1042591425 /nfs/dbraw/zinc/59/14/25/1042591425.db2.gz LNRAWIIIQDCNCP-FGZHOGPDSA-N 2 1 367.537 2.860 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001264038740 1042591426 /nfs/dbraw/zinc/59/14/26/1042591426.db2.gz LNRAWIIIQDCNCP-FGZHOGPDSA-N 2 1 367.537 2.860 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)CC[N@H+]1C ZINC001266214995 1042901795 /nfs/dbraw/zinc/90/17/95/1042901795.db2.gz HCWBPLQUISMYRV-CEMLEFRQSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001266214995 1042901799 /nfs/dbraw/zinc/90/17/99/1042901799.db2.gz HCWBPLQUISMYRV-CEMLEFRQSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC001266214995 1042901802 /nfs/dbraw/zinc/90/18/02/1042901802.db2.gz HCWBPLQUISMYRV-CEMLEFRQSA-N 2 1 367.537 2.739 20 30 FFEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cscn2)CC3)cc1C#N ZINC001279389683 1043045571 /nfs/dbraw/zinc/04/55/71/1043045571.db2.gz XNPDPQPTKUNZRI-UHFFFAOYSA-N 2 1 355.511 2.841 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cscn2)CC3)cc1C#N ZINC001279389683 1043045576 /nfs/dbraw/zinc/04/55/76/1043045576.db2.gz XNPDPQPTKUNZRI-UHFFFAOYSA-N 2 1 355.511 2.841 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001279498229 1043189301 /nfs/dbraw/zinc/18/93/01/1043189301.db2.gz YTQNXAVZVYYSAD-NRFANRHFSA-N 2 1 356.514 2.503 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001279498229 1043189306 /nfs/dbraw/zinc/18/93/06/1043189306.db2.gz YTQNXAVZVYYSAD-NRFANRHFSA-N 2 1 356.514 2.503 20 30 FFEDMP Cc1nc(C)c(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)o1 ZINC001279637840 1043380493 /nfs/dbraw/zinc/38/04/93/1043380493.db2.gz FGJASOQWYRHBTB-UHFFFAOYSA-N 2 1 353.470 2.600 20 30 FFEDMP N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc5c[nH+]cn54)C3)CC2=O)c1 ZINC001238104851 1043538562 /nfs/dbraw/zinc/53/85/62/1043538562.db2.gz PYDYPIQLYILSFV-QFIPXVFZSA-N 2 1 371.444 2.835 20 30 FFEDMP N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cccc5c[nH+]cn54)C3)CC2=O)c1 ZINC001238104851 1043538570 /nfs/dbraw/zinc/53/85/70/1043538570.db2.gz PYDYPIQLYILSFV-QFIPXVFZSA-N 2 1 371.444 2.835 20 30 FFEDMP Cn1c[nH+]cc1N1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280120839 1044250619 /nfs/dbraw/zinc/25/06/19/1044250619.db2.gz UGOJPCBJUZHMDH-HXUWFJFHSA-N 2 1 352.486 2.513 20 30 FFEDMP C=CCCC[N@H+]1CCc2[nH]nc(C(=O)Nc3cccc4nccn43)c2C1 ZINC001280121727 1044254736 /nfs/dbraw/zinc/25/47/36/1044254736.db2.gz XHWQMJWCSYHSCF-UHFFFAOYSA-N 2 1 350.426 2.634 20 30 FFEDMP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001278314202 1044356302 /nfs/dbraw/zinc/35/63/02/1044356302.db2.gz LREIEMPKYBCKRY-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001278314202 1044356314 /nfs/dbraw/zinc/35/63/14/1044356314.db2.gz LREIEMPKYBCKRY-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001316721633 1044830615 /nfs/dbraw/zinc/83/06/15/1044830615.db2.gz NSLIJVMWTFTNNI-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001316721633 1044830637 /nfs/dbraw/zinc/83/06/37/1044830637.db2.gz NSLIJVMWTFTNNI-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001316721633 1044830659 /nfs/dbraw/zinc/83/06/59/1044830659.db2.gz NSLIJVMWTFTNNI-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001316721633 1044830679 /nfs/dbraw/zinc/83/06/79/1044830679.db2.gz NSLIJVMWTFTNNI-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001332220623 1048307229 /nfs/dbraw/zinc/30/72/29/1048307229.db2.gz HSGIJVIUOWMWNX-NZSAHSFTSA-N 2 1 363.933 2.786 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001342355263 1050950021 /nfs/dbraw/zinc/95/00/21/1050950021.db2.gz OLNBBXOVTPBYAW-QYZOEREBSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001342355263 1050950031 /nfs/dbraw/zinc/95/00/31/1050950031.db2.gz OLNBBXOVTPBYAW-QYZOEREBSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001342355263 1050950037 /nfs/dbraw/zinc/95/00/37/1050950037.db2.gz OLNBBXOVTPBYAW-QYZOEREBSA-N 2 1 374.577 2.830 20 30 FFEDMP C=CC[C@@]1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCC[NH2+]1 ZINC001349893752 1055525600 /nfs/dbraw/zinc/52/56/00/1055525600.db2.gz NRFVYMRDLPRXLU-FPOVZHCZSA-N 2 1 354.498 2.608 20 30 FFEDMP CCCC[NH+]=C(NCCN1CC[N@@H+](C)C(C)(C)C1)NCc1ccc(C)cc1 ZINC000849107761 1056764068 /nfs/dbraw/zinc/76/40/68/1056764068.db2.gz QGDUPZWQJRHTCS-UHFFFAOYSA-N 2 1 373.589 2.856 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001500498069 1058504561 /nfs/dbraw/zinc/50/45/61/1058504561.db2.gz DMEWZMAMEDIVFU-ZNLUXHQJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001500498069 1058504581 /nfs/dbraw/zinc/50/45/81/1058504581.db2.gz DMEWZMAMEDIVFU-ZNLUXHQJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001500498069 1058504598 /nfs/dbraw/zinc/50/45/98/1058504598.db2.gz DMEWZMAMEDIVFU-ZNLUXHQJSA-N 2 1 368.525 2.617 20 30 FFEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001493836025 1063234273 /nfs/dbraw/zinc/23/42/73/1063234273.db2.gz HUZMGAMRYZFOME-QIJUGHKUSA-N 2 1 367.537 2.572 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666153 1065310863 /nfs/dbraw/zinc/31/08/63/1065310863.db2.gz IHESLCDUJLXJOP-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666153 1065310867 /nfs/dbraw/zinc/31/08/67/1065310867.db2.gz IHESLCDUJLXJOP-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666153 1065310875 /nfs/dbraw/zinc/31/08/75/1065310875.db2.gz IHESLCDUJLXJOP-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2)ccn1 ZINC001473666153 1065310884 /nfs/dbraw/zinc/31/08/84/1065310884.db2.gz IHESLCDUJLXJOP-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP N#Cc1ccsc1NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001580081082 1078747414 /nfs/dbraw/zinc/74/74/14/1078747414.db2.gz RQSHAFVOOVTJAE-UHFFFAOYSA-N 2 1 354.479 2.551 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)CCC[NH2+]1 ZINC001574504493 1078004032 /nfs/dbraw/zinc/00/40/32/1078004032.db2.gz JHVJXHFENZQQBG-ZVVDCOBXSA-N 2 1 353.510 2.642 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)CCC[NH2+]1 ZINC001574504493 1078004034 /nfs/dbraw/zinc/00/40/34/1078004034.db2.gz JHVJXHFENZQQBG-ZVVDCOBXSA-N 2 1 353.510 2.642 20 30 FFEDMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCO1 ZINC000287719866 257104976 /nfs/dbraw/zinc/10/49/76/257104976.db2.gz XYOTXACYTHJSAE-SFHVURJKSA-N 2 1 356.514 2.618 20 30 FFEDMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCO1 ZINC000287719866 257104977 /nfs/dbraw/zinc/10/49/77/257104977.db2.gz XYOTXACYTHJSAE-SFHVURJKSA-N 2 1 356.514 2.618 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080121103 508040634 /nfs/dbraw/zinc/04/06/34/508040634.db2.gz UBVADNDZQONDHG-NQIIRXRSSA-N 2 1 370.541 2.989 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000152366734 508432029 /nfs/dbraw/zinc/43/20/29/508432029.db2.gz VFWLKZYJCSSQQV-LJQANCHMSA-N 2 1 356.514 2.824 20 30 FFEDMP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000123678459 508724406 /nfs/dbraw/zinc/72/44/06/508724406.db2.gz CSTVUXVBDMEPRM-KRWDZBQOSA-N 2 1 360.527 2.779 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248404159 509298259 /nfs/dbraw/zinc/29/82/59/509298259.db2.gz ZXTZTCHKVUIABH-IWQHBPENSA-N 2 1 370.541 2.741 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248404159 509298269 /nfs/dbraw/zinc/29/82/69/509298269.db2.gz ZXTZTCHKVUIABH-IWQHBPENSA-N 2 1 370.541 2.741 20 30 FFEDMP C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677066 509299809 /nfs/dbraw/zinc/29/98/09/509299809.db2.gz WISYSNJIVOWVCQ-QZTJIDSGSA-N 2 1 360.546 2.914 20 30 FFEDMP C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677066 509299815 /nfs/dbraw/zinc/29/98/15/509299815.db2.gz WISYSNJIVOWVCQ-QZTJIDSGSA-N 2 1 360.546 2.914 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000264125149 509341690 /nfs/dbraw/zinc/34/16/90/509341690.db2.gz WDMUGZYIQXJHDX-INIZCTEOSA-N 2 1 362.518 2.763 20 30 FFEDMP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180995920 510229109 /nfs/dbraw/zinc/22/91/09/510229109.db2.gz BKFNKJIVIBHACB-QFIPXVFZSA-N 2 1 364.489 2.945 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000195291283 510766207 /nfs/dbraw/zinc/76/62/07/510766207.db2.gz JUXXLFHSAGUJAW-KRWDZBQOSA-N 2 1 368.481 2.953 20 30 FFEDMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCO1 ZINC000277279959 510958500 /nfs/dbraw/zinc/95/85/00/510958500.db2.gz JYJYAGBMUQDUHK-CYBMUJFWSA-N 2 1 374.407 2.813 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287725515 511055359 /nfs/dbraw/zinc/05/53/59/511055359.db2.gz NUVQWZCRNXSEOH-FXAWDEMLSA-N 2 1 356.514 2.599 20 30 FFEDMP C=CCCO[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365912000 511724820 /nfs/dbraw/zinc/72/48/20/511724820.db2.gz MPNSNKYILSBXMC-GOSISDBHSA-N 2 1 365.562 2.622 20 30 FFEDMP C#CC[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824511 511790528 /nfs/dbraw/zinc/79/05/28/511790528.db2.gz QQEGOJXZNGACGH-RTWAWAEBSA-N 2 1 368.525 2.561 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C#N)c1 ZINC000374201605 512705826 /nfs/dbraw/zinc/70/58/26/512705826.db2.gz LGWFNXSBBXOFRD-UHFFFAOYSA-N 2 1 368.525 2.827 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000376388215 512796595 /nfs/dbraw/zinc/79/65/95/512796595.db2.gz SGVPXRYYKDAQGX-INIZCTEOSA-N 2 1 358.511 2.533 20 30 FFEDMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000376388215 512796601 /nfs/dbraw/zinc/79/66/01/512796601.db2.gz SGVPXRYYKDAQGX-INIZCTEOSA-N 2 1 358.511 2.533 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N(C)CCC#N ZINC000368233529 512857725 /nfs/dbraw/zinc/85/77/25/512857725.db2.gz FUHREKDYGCUVKG-FYZZASKESA-N 2 1 368.525 2.637 20 30 FFEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)c(F)c1 ZINC000511874329 516062996 /nfs/dbraw/zinc/06/29/96/516062996.db2.gz MTOMVYLEMHRSJZ-UHFFFAOYSA-N 2 1 366.484 2.947 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000536932973 516986558 /nfs/dbraw/zinc/98/65/58/516986558.db2.gz DNVOKUDRAXPNFU-ROUUACIJSA-N 2 1 357.498 2.648 20 30 FFEDMP COCC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000537980471 517422138 /nfs/dbraw/zinc/42/21/38/517422138.db2.gz YMULDMQTWGNISQ-UHFFFAOYSA-N 2 1 357.498 2.949 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3CC#N)CC2)CC1 ZINC000578520716 518249523 /nfs/dbraw/zinc/24/95/23/518249523.db2.gz ARANXOXSWBMNNU-UHFFFAOYSA-N 2 1 354.498 2.887 20 30 FFEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCCCC#N ZINC000594994337 520248556 /nfs/dbraw/zinc/24/85/56/520248556.db2.gz SQNMMEUERQBVDE-LJQANCHMSA-N 2 1 373.497 2.721 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259365 520377662 /nfs/dbraw/zinc/37/76/62/520377662.db2.gz LHFSOTYBTTXBGJ-UXHICEINSA-N 2 1 368.525 2.816 20 30 FFEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600722526 520424971 /nfs/dbraw/zinc/42/49/71/520424971.db2.gz GULSDRZQABZPLU-NQIIRXRSSA-N 2 1 371.525 2.873 20 30 FFEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000600727972 520429156 /nfs/dbraw/zinc/42/91/56/520429156.db2.gz MCMRDXNXTYULNT-HMXCVIKNSA-N 2 1 371.525 2.700 20 30 FFEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000600727972 520429165 /nfs/dbraw/zinc/42/91/65/520429165.db2.gz MCMRDXNXTYULNT-HMXCVIKNSA-N 2 1 371.525 2.700 20 30 FFEDMP N#Cc1ccc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000595493286 520505864 /nfs/dbraw/zinc/50/58/64/520505864.db2.gz QNDVJMOZHHLDQA-DEOSSOPVSA-N 2 1 374.532 2.993 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599662090 521375486 /nfs/dbraw/zinc/37/54/86/521375486.db2.gz YCRIWNVSTGXEDI-NRFANRHFSA-N 2 1 367.493 2.882 20 30 FFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000602500836 521382756 /nfs/dbraw/zinc/38/27/56/521382756.db2.gz BOGKYURAAGSRQT-GOSISDBHSA-N 2 1 357.498 2.707 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000823878029 608508578 /nfs/dbraw/zinc/50/85/78/608508578.db2.gz MNVLWGJGAHSOED-LJQANCHMSA-N 2 1 352.486 2.874 20 30 FFEDMP C[NH+]=C(NCc1cc(Br)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262021423 729657539 /nfs/dbraw/zinc/65/75/39/729657539.db2.gz YWPLJRDRLIIHMH-IINYFYTJSA-N 2 1 371.348 2.658 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000262836822 729672502 /nfs/dbraw/zinc/67/25/02/729672502.db2.gz SQQXDRWTYXJVEA-OWCLPIDISA-N 2 1 365.319 2.694 20 30 FFEDMP C[C@@H](NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000304760503 729737171 /nfs/dbraw/zinc/73/71/71/729737171.db2.gz SMMWJLFPMSFZFH-QWHCGFSZSA-N 2 1 373.328 2.927 20 30 FFEDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902720868 735985651 /nfs/dbraw/zinc/98/56/51/735985651.db2.gz ORAKYIHSBWHITR-CRAIPNDOSA-N 2 1 355.511 2.654 20 30 FFEDMP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2=NNCCC[NH+]2CCOCC2)C1 ZINC000799488468 740422680 /nfs/dbraw/zinc/42/26/80/740422680.db2.gz SCTQSSUUFAARFV-GGPKGHCWSA-N 2 1 350.551 2.575 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043322 971984972 /nfs/dbraw/zinc/98/49/72/971984972.db2.gz LTIUKFLEODVBMY-MSOLQXFVSA-N 2 1 356.514 2.508 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043322 971984974 /nfs/dbraw/zinc/98/49/74/971984974.db2.gz LTIUKFLEODVBMY-MSOLQXFVSA-N 2 1 356.514 2.508 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078487 972505762 /nfs/dbraw/zinc/50/57/62/972505762.db2.gz IXUWWBDANISYGT-SVFBPWRDSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078487 972505773 /nfs/dbraw/zinc/50/57/73/972505773.db2.gz IXUWWBDANISYGT-SVFBPWRDSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078487 972505786 /nfs/dbraw/zinc/50/57/86/972505786.db2.gz IXUWWBDANISYGT-SVFBPWRDSA-N 2 1 357.542 2.587 20 30 FFEDMP C=CC[C@@H]1N(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCC1(C)C ZINC000683559609 961039936 /nfs/dbraw/zinc/03/99/36/961039936.db2.gz PHXWWJJMFRSSBI-HKUYNNGSSA-N 2 1 362.562 2.931 20 30 FFEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCC1 ZINC001482232236 964213382 /nfs/dbraw/zinc/21/33/82/964213382.db2.gz UPKZFMNAKSIAMC-UXHICEINSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001075423207 964255149 /nfs/dbraw/zinc/25/51/49/964255149.db2.gz PZCALBIPQKKLLL-UYAOXDASSA-N 2 1 371.500 2.629 20 30 FFEDMP C=CCN(CC(F)(F)F)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637948762 964288251 /nfs/dbraw/zinc/28/82/51/964288251.db2.gz RABWDYVKXCEHAO-UHFFFAOYSA-N 2 1 369.431 2.947 20 30 FFEDMP C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087465751 964382490 /nfs/dbraw/zinc/38/24/90/964382490.db2.gz HEGAKCAJJKEUIO-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N(C)Cc1cccn1C ZINC000261948250 964878825 /nfs/dbraw/zinc/87/88/25/964878825.db2.gz GNWMXQIURNAFOW-UHFFFAOYSA-N 2 1 368.460 2.866 20 30 FFEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc2ccccc2c1 ZINC001270368839 965003554 /nfs/dbraw/zinc/00/35/54/965003554.db2.gz IYCUGLQFXDUUQP-BHDDXSALSA-N 2 1 363.505 2.950 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1ccccc1 ZINC001211627501 968417594 /nfs/dbraw/zinc/41/75/94/968417594.db2.gz HYBLIMFEXNEQEP-AZUAARDMSA-N 2 1 368.481 2.510 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432360 976140106 /nfs/dbraw/zinc/14/01/06/976140106.db2.gz LUXQRHHTOJELAC-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432360 976140110 /nfs/dbraw/zinc/14/01/10/976140110.db2.gz LUXQRHHTOJELAC-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@H]12 ZINC000990744507 976798149 /nfs/dbraw/zinc/79/81/49/976798149.db2.gz VBHNGDQQJSVYHD-NXWNEQKCSA-N 2 1 368.525 2.843 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001087436733 977042177 /nfs/dbraw/zinc/04/21/77/977042177.db2.gz HEZDBQSOUIWVCX-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001087436733 977042182 /nfs/dbraw/zinc/04/21/82/977042182.db2.gz HEZDBQSOUIWVCX-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001087436733 977042193 /nfs/dbraw/zinc/04/21/93/977042193.db2.gz HEZDBQSOUIWVCX-NHCUHLMSSA-N 2 1 367.537 2.716 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087437423 977084450 /nfs/dbraw/zinc/08/44/50/977084450.db2.gz QYYOQUVXKJFUGV-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087437423 977084457 /nfs/dbraw/zinc/08/44/57/977084457.db2.gz QYYOQUVXKJFUGV-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087437423 977084469 /nfs/dbraw/zinc/08/44/69/977084469.db2.gz QYYOQUVXKJFUGV-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000178573572 977375841 /nfs/dbraw/zinc/37/58/41/977375841.db2.gz GKXZUHLSQDLJOK-ZDUSSCGKSA-N 2 1 374.407 2.669 20 30 FFEDMP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000876875145 1014407116 /nfs/dbraw/zinc/40/71/16/1014407116.db2.gz QGGCZTQPUMRYAS-UHFFFAOYSA-N 2 1 370.884 2.853 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001088317747 979140359 /nfs/dbraw/zinc/14/03/59/979140359.db2.gz NKGJVQOTDCKDPT-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC4CCCCCC4)C[C@H]32)CC1 ZINC001076604869 979709536 /nfs/dbraw/zinc/70/95/36/979709536.db2.gz VJJUDBJMSPTCTN-FCHUYYIVSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485279 984589158 /nfs/dbraw/zinc/58/91/58/984589158.db2.gz RXQXYYOHHRJUGA-TZIWHRDSSA-N 2 1 359.558 2.883 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cccc(C#N)c1)CC2 ZINC001107646119 984936143 /nfs/dbraw/zinc/93/61/43/984936143.db2.gz CWRCFYIAARSZNV-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001107646119 984936150 /nfs/dbraw/zinc/93/61/50/984936150.db2.gz CWRCFYIAARSZNV-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107646119 984936156 /nfs/dbraw/zinc/93/61/56/984936156.db2.gz CWRCFYIAARSZNV-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620776 990006056 /nfs/dbraw/zinc/00/60/56/990006056.db2.gz AQTRECFDSZNTBN-PGRDOPGGSA-N 2 1 365.477 2.877 20 30 FFEDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620776 990006065 /nfs/dbraw/zinc/00/60/65/990006065.db2.gz AQTRECFDSZNTBN-PGRDOPGGSA-N 2 1 365.477 2.877 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079182610 991891679 /nfs/dbraw/zinc/89/16/79/991891679.db2.gz QTVAWFXNQBMTNA-ZCNNSNEGSA-N 2 1 359.489 2.769 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1F ZINC001079298774 991986977 /nfs/dbraw/zinc/98/69/77/991986977.db2.gz GGHVKXGMNMADHE-QXAKKESOSA-N 2 1 368.456 2.670 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311132 992012881 /nfs/dbraw/zinc/01/28/81/992012881.db2.gz QNUSVCCCYMCLSV-IMFGXOCKSA-N 2 1 359.489 2.628 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000940757010 992146924 /nfs/dbraw/zinc/14/69/24/992146924.db2.gz PIDRNTRHUBGKJJ-NRSPTQNISA-N 2 1 367.537 2.595 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000940757010 992146928 /nfs/dbraw/zinc/14/69/28/992146928.db2.gz PIDRNTRHUBGKJJ-NRSPTQNISA-N 2 1 367.537 2.595 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000940757010 992146933 /nfs/dbraw/zinc/14/69/33/992146933.db2.gz PIDRNTRHUBGKJJ-NRSPTQNISA-N 2 1 367.537 2.595 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001082568511 994964470 /nfs/dbraw/zinc/96/44/70/994964470.db2.gz AHDFYTBFPQIEGE-NRSPTQNISA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001082568511 994964479 /nfs/dbraw/zinc/96/44/79/994964479.db2.gz AHDFYTBFPQIEGE-NRSPTQNISA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049127 998768787 /nfs/dbraw/zinc/76/87/87/998768787.db2.gz CNCAUDRNNPVLAN-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049127 998768792 /nfs/dbraw/zinc/76/87/92/998768792.db2.gz CNCAUDRNNPVLAN-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049127 998768794 /nfs/dbraw/zinc/76/87/94/998768794.db2.gz CNCAUDRNNPVLAN-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049127 998768799 /nfs/dbraw/zinc/76/87/99/998768799.db2.gz CNCAUDRNNPVLAN-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211481 1000199184 /nfs/dbraw/zinc/19/91/84/1000199184.db2.gz DPJJSRBSPIXIOR-KNQAVFIVSA-N 2 1 371.525 2.550 20 30 FFEDMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211485 1000199282 /nfs/dbraw/zinc/19/92/82/1000199282.db2.gz DPJJSRBSPIXIOR-UGKGYDQZSA-N 2 1 371.525 2.550 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000769536592 1000544346 /nfs/dbraw/zinc/54/43/46/1000544346.db2.gz BULREYBERWNAOD-UHFFFAOYSA-N 2 1 355.526 2.689 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001091748250 1001214176 /nfs/dbraw/zinc/21/41/76/1001214176.db2.gz HQBOXEFHFGFCHH-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001091748250 1001214181 /nfs/dbraw/zinc/21/41/81/1001214181.db2.gz HQBOXEFHFGFCHH-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001091748250 1001214187 /nfs/dbraw/zinc/21/41/87/1001214187.db2.gz HQBOXEFHFGFCHH-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001091748250 1001214194 /nfs/dbraw/zinc/21/41/94/1001214194.db2.gz HQBOXEFHFGFCHH-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086882853 1001300800 /nfs/dbraw/zinc/30/08/00/1001300800.db2.gz PUKDEIWEGOTZTM-WMQCIHAUSA-N 2 1 368.525 2.807 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586355 1001537989 /nfs/dbraw/zinc/53/79/89/1001537989.db2.gz VOFNESVNBVJJOA-ONTIZHBOSA-N 2 1 353.510 2.531 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071150 1002365656 /nfs/dbraw/zinc/36/56/56/1002365656.db2.gz IPKINNCJNLILMP-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071150 1002365663 /nfs/dbraw/zinc/36/56/63/1002365663.db2.gz IPKINNCJNLILMP-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071150 1002365672 /nfs/dbraw/zinc/36/56/72/1002365672.db2.gz IPKINNCJNLILMP-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071150 1002365683 /nfs/dbraw/zinc/36/56/83/1002365683.db2.gz IPKINNCJNLILMP-AOIWGVFYSA-N 2 1 353.938 2.782 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086591816 1002534578 /nfs/dbraw/zinc/53/45/78/1002534578.db2.gz HQTKLRRQOFNEPV-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086591816 1002534588 /nfs/dbraw/zinc/53/45/88/1002534588.db2.gz HQTKLRRQOFNEPV-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086591816 1002534602 /nfs/dbraw/zinc/53/46/02/1002534602.db2.gz HQTKLRRQOFNEPV-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086618981 1003533992 /nfs/dbraw/zinc/53/39/92/1003533992.db2.gz UIZAFXLUEISDDJ-FCHUYYIVSA-N 2 1 367.537 2.879 20 30 FFEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001197700910 1004327854 /nfs/dbraw/zinc/32/78/54/1004327854.db2.gz AUTCPTRYTBOSCC-PXNSSMCTSA-N 2 1 373.928 2.938 20 30 FFEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001197700910 1004327867 /nfs/dbraw/zinc/32/78/67/1004327867.db2.gz AUTCPTRYTBOSCC-PXNSSMCTSA-N 2 1 373.928 2.938 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193755491 1004576103 /nfs/dbraw/zinc/57/61/03/1004576103.db2.gz LJIDXKUGNXHRPA-VAMGGRTRSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755491 1004576112 /nfs/dbraw/zinc/57/61/12/1004576112.db2.gz LJIDXKUGNXHRPA-VAMGGRTRSA-N 2 1 365.562 2.525 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193755491 1004576120 /nfs/dbraw/zinc/57/61/20/1004576120.db2.gz LJIDXKUGNXHRPA-VAMGGRTRSA-N 2 1 365.562 2.525 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097064768 1016966376 /nfs/dbraw/zinc/96/63/76/1016966376.db2.gz MZDGFBQOCAOZNZ-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097064768 1016966385 /nfs/dbraw/zinc/96/63/85/1016966385.db2.gz MZDGFBQOCAOZNZ-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001097064768 1016966394 /nfs/dbraw/zinc/96/63/94/1016966394.db2.gz MZDGFBQOCAOZNZ-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001097064768 1016966405 /nfs/dbraw/zinc/96/64/05/1016966405.db2.gz MZDGFBQOCAOZNZ-MXEMCNAFSA-N 2 1 366.509 2.653 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001050329325 1016973562 /nfs/dbraw/zinc/97/35/62/1016973562.db2.gz STVMIANTEMZEHL-QYRPDUKASA-N 2 1 368.525 2.663 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850470963 1005817647 /nfs/dbraw/zinc/81/76/47/1005817647.db2.gz KFAOGCCOKKXRAG-KRWDZBQOSA-N 2 1 367.415 2.567 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850470963 1005817650 /nfs/dbraw/zinc/81/76/50/1005817650.db2.gz KFAOGCCOKKXRAG-KRWDZBQOSA-N 2 1 367.415 2.567 20 30 FFEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001189109840 1006886007 /nfs/dbraw/zinc/88/60/07/1006886007.db2.gz GOOAZOMWKZAYDX-BHDDXSALSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001189109840 1006886018 /nfs/dbraw/zinc/88/60/18/1006886018.db2.gz GOOAZOMWKZAYDX-BHDDXSALSA-N 2 1 367.537 2.691 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732017 1007253226 /nfs/dbraw/zinc/25/32/26/1007253226.db2.gz CTLMFQWKHBKSAO-JRGCBEDISA-N 2 1 359.558 2.996 20 30 FFEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001190230426 1007515462 /nfs/dbraw/zinc/51/54/62/1007515462.db2.gz YGMBOHPOFUNJSD-CEXWTWQISA-N 2 1 356.514 2.653 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](C)CC(C)C)C[C@H]32)CC1 ZINC001190317540 1007565500 /nfs/dbraw/zinc/56/55/00/1007565500.db2.gz GUKVCMMRPHDTFV-HLAWJBBLSA-N 2 1 359.558 2.547 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000859524854 1008542271 /nfs/dbraw/zinc/54/22/71/1008542271.db2.gz KOWKFBOKMVGDPB-FQEVSTJZSA-N 2 1 373.928 2.908 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000859524854 1008542280 /nfs/dbraw/zinc/54/22/80/1008542280.db2.gz KOWKFBOKMVGDPB-FQEVSTJZSA-N 2 1 373.928 2.908 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862167521 1009728835 /nfs/dbraw/zinc/72/88/35/1009728835.db2.gz YGNAWTVSMVHJNY-SFHVURJKSA-N 2 1 370.541 2.758 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862167521 1009728848 /nfs/dbraw/zinc/72/88/48/1009728848.db2.gz YGNAWTVSMVHJNY-SFHVURJKSA-N 2 1 370.541 2.758 20 30 FFEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC001180630097 1009778254 /nfs/dbraw/zinc/77/82/54/1009778254.db2.gz DNQGHRPAUMJQQI-UHFFFAOYSA-N 2 1 354.498 2.535 20 30 FFEDMP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148346 1010466092 /nfs/dbraw/zinc/46/60/92/1010466092.db2.gz WFJGZONKIXNZPZ-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148346 1010466100 /nfs/dbraw/zinc/46/61/00/1010466100.db2.gz WFJGZONKIXNZPZ-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416510 1011102857 /nfs/dbraw/zinc/10/28/57/1011102857.db2.gz XAFFPLGPBZTZLV-SYYKKAFVSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416510 1011102859 /nfs/dbraw/zinc/10/28/59/1011102859.db2.gz XAFFPLGPBZTZLV-SYYKKAFVSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416510 1011102861 /nfs/dbraw/zinc/10/28/61/1011102861.db2.gz XAFFPLGPBZTZLV-SYYKKAFVSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001094436672 1011128477 /nfs/dbraw/zinc/12/84/77/1011128477.db2.gz CKLQLUGMRPWMCG-QZNHQXDQSA-N 2 1 365.521 2.645 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2 ZINC001094436672 1011128484 /nfs/dbraw/zinc/12/84/84/1011128484.db2.gz CKLQLUGMRPWMCG-QZNHQXDQSA-N 2 1 365.521 2.645 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1)CC2 ZINC001094436672 1011128486 /nfs/dbraw/zinc/12/84/86/1011128486.db2.gz CKLQLUGMRPWMCG-QZNHQXDQSA-N 2 1 365.521 2.645 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1)CC2 ZINC001094436672 1011128490 /nfs/dbraw/zinc/12/84/90/1011128490.db2.gz CKLQLUGMRPWMCG-QZNHQXDQSA-N 2 1 365.521 2.645 20 30 FFEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001172168657 1011678235 /nfs/dbraw/zinc/67/82/35/1011678235.db2.gz CBOFFJOSAZBSCO-NCYKPQTJSA-N 2 1 366.509 2.784 20 30 FFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2ccncc12 ZINC001275300229 1012239543 /nfs/dbraw/zinc/23/95/43/1012239543.db2.gz QGTNLTUDUYEZOW-HXUWFJFHSA-N 2 1 351.454 2.824 20 30 FFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc2cc[nH]cc1-2 ZINC001275300229 1012239561 /nfs/dbraw/zinc/23/95/61/1012239561.db2.gz QGTNLTUDUYEZOW-HXUWFJFHSA-N 2 1 351.454 2.824 20 30 FFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001275300229 1012239597 /nfs/dbraw/zinc/23/95/97/1012239597.db2.gz QGTNLTUDUYEZOW-HXUWFJFHSA-N 2 1 351.454 2.824 20 30 FFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001275300229 1012239610 /nfs/dbraw/zinc/23/96/10/1012239610.db2.gz QGTNLTUDUYEZOW-HXUWFJFHSA-N 2 1 351.454 2.824 20 30 FFEDMP C=CCOC1CCC(N(c2[nH+]ccn2C)[C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001173322377 1012440550 /nfs/dbraw/zinc/44/05/50/1012440550.db2.gz CRGQHSDFOJUYCW-XBMUEBEBSA-N 2 1 374.529 2.651 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303873816 1012476116 /nfs/dbraw/zinc/47/61/16/1012476116.db2.gz GXESTBXGQKBRTA-PMACEKPBSA-N 3 1 357.546 2.521 20 30 FFEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873816 1012476122 /nfs/dbraw/zinc/47/61/22/1012476122.db2.gz GXESTBXGQKBRTA-PMACEKPBSA-N 2 1 357.546 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873816 1012476134 /nfs/dbraw/zinc/47/61/34/1012476134.db2.gz GXESTBXGQKBRTA-PMACEKPBSA-N 2 1 357.546 2.521 20 30 FFEDMP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000303890762 1012501902 /nfs/dbraw/zinc/50/19/02/1012501902.db2.gz MOFTXUJWDVTHCR-UHFFFAOYSA-N 2 1 365.525 2.930 20 30 FFEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000303983296 1012552329 /nfs/dbraw/zinc/55/23/29/1012552329.db2.gz RAJJLFOPSDTCOV-QFBILLFUSA-N 2 1 373.545 2.869 20 30 FFEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC001173429012 1012589573 /nfs/dbraw/zinc/58/95/73/1012589573.db2.gz PYOJBAKWUDHOBZ-LAUBAEHRSA-N 2 1 368.525 2.871 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304756342 1012862860 /nfs/dbraw/zinc/86/28/60/1012862860.db2.gz NPYOHYZDRQMYMA-OAQYLSRUSA-N 3 1 371.573 2.951 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001097176976 1017146843 /nfs/dbraw/zinc/14/68/43/1017146843.db2.gz DQLAMBIHWDYTFO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097176976 1017146851 /nfs/dbraw/zinc/14/68/51/1017146851.db2.gz DQLAMBIHWDYTFO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097176976 1017146859 /nfs/dbraw/zinc/14/68/59/1017146859.db2.gz DQLAMBIHWDYTFO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001097176976 1017146868 /nfs/dbraw/zinc/14/68/68/1017146868.db2.gz DQLAMBIHWDYTFO-MXEMCNAFSA-N 2 1 366.509 2.654 20 30 FFEDMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111452991 1017722248 /nfs/dbraw/zinc/72/22/48/1017722248.db2.gz IFGNKQNKPFUUGJ-VSKRKVRLSA-N 2 1 365.521 2.636 20 30 FFEDMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111452991 1017722257 /nfs/dbraw/zinc/72/22/57/1017722257.db2.gz IFGNKQNKPFUUGJ-VSKRKVRLSA-N 2 1 365.521 2.636 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC(C)C)CC1 ZINC001111455347 1017948288 /nfs/dbraw/zinc/94/82/88/1017948288.db2.gz ZOZFBMYFFXGFBU-WLRLJWMZSA-N 2 1 359.558 2.735 20 30 FFEDMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000926274752 1018070706 /nfs/dbraw/zinc/07/07/06/1018070706.db2.gz DWDZKAMLEWVMPP-OAQYLSRUSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000901212970 1018832314 /nfs/dbraw/zinc/83/23/14/1018832314.db2.gz GYNVSUVULQQRBI-IBGZPJMESA-N 2 1 359.514 2.713 20 30 FFEDMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1CC)CC[NH2+]CC2 ZINC001222230577 1032841129 /nfs/dbraw/zinc/84/11/29/1032841129.db2.gz BBPFVXOAPQBGHF-LJQANCHMSA-N 2 1 355.482 2.628 20 30 FFEDMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1CC)CC[NH2+]CC2 ZINC001222230577 1032841147 /nfs/dbraw/zinc/84/11/47/1032841147.db2.gz BBPFVXOAPQBGHF-LJQANCHMSA-N 2 1 355.482 2.628 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059655 1019849695 /nfs/dbraw/zinc/84/96/95/1019849695.db2.gz BDBGWXUHKKCHPJ-NQIIRXRSSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059655 1019849712 /nfs/dbraw/zinc/84/97/12/1019849712.db2.gz BDBGWXUHKKCHPJ-NQIIRXRSSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000930059655 1019849730 /nfs/dbraw/zinc/84/97/30/1019849730.db2.gz BDBGWXUHKKCHPJ-NQIIRXRSSA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000930059655 1019849745 /nfs/dbraw/zinc/84/97/45/1019849745.db2.gz BDBGWXUHKKCHPJ-NQIIRXRSSA-N 2 1 351.494 2.945 20 30 FFEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044303 1020123209 /nfs/dbraw/zinc/12/32/09/1020123209.db2.gz JXOBDWZDKLDNOB-MJCUULBUSA-N 2 1 353.510 2.629 20 30 FFEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044303 1020123214 /nfs/dbraw/zinc/12/32/14/1020123214.db2.gz JXOBDWZDKLDNOB-MJCUULBUSA-N 2 1 353.510 2.629 20 30 FFEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044303 1020123220 /nfs/dbraw/zinc/12/32/20/1020123220.db2.gz JXOBDWZDKLDNOB-MJCUULBUSA-N 2 1 353.510 2.629 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095517 1020317866 /nfs/dbraw/zinc/31/78/66/1020317866.db2.gz WGUGRPMTXKRYAE-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095517 1020317877 /nfs/dbraw/zinc/31/78/77/1020317877.db2.gz WGUGRPMTXKRYAE-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095517 1020317894 /nfs/dbraw/zinc/31/78/94/1020317894.db2.gz WGUGRPMTXKRYAE-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cncc(C#N)c3)C2)ccn1 ZINC000931095517 1020317901 /nfs/dbraw/zinc/31/79/01/1020317901.db2.gz WGUGRPMTXKRYAE-NRFANRHFSA-N 2 1 365.481 2.842 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc(C#N)ccn1 ZINC000902948729 1020593496 /nfs/dbraw/zinc/59/34/96/1020593496.db2.gz WFZRDHLZOXMJIP-UZLBHIALSA-N 2 1 350.466 2.761 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(C#N)ccn1 ZINC000902948729 1020593504 /nfs/dbraw/zinc/59/35/04/1020593504.db2.gz WFZRDHLZOXMJIP-UZLBHIALSA-N 2 1 350.466 2.761 20 30 FFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001017977799 1022327331 /nfs/dbraw/zinc/32/73/31/1022327331.db2.gz IGRHQQNJUALCOA-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017977799 1022327345 /nfs/dbraw/zinc/32/73/45/1022327345.db2.gz IGRHQQNJUALCOA-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017977799 1022327352 /nfs/dbraw/zinc/32/73/52/1022327352.db2.gz IGRHQQNJUALCOA-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017977799 1022327373 /nfs/dbraw/zinc/32/73/73/1022327373.db2.gz IGRHQQNJUALCOA-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001039441151 1022756531 /nfs/dbraw/zinc/75/65/31/1022756531.db2.gz QDLXLPIYXHCILR-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001039441151 1022756540 /nfs/dbraw/zinc/75/65/40/1022756540.db2.gz QDLXLPIYXHCILR-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001039441151 1022756555 /nfs/dbraw/zinc/75/65/55/1022756555.db2.gz QDLXLPIYXHCILR-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331217 1023195910 /nfs/dbraw/zinc/19/59/10/1023195910.db2.gz JWPXDHPQUNHSOU-PLACYPQZSA-N 2 1 368.525 2.815 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001122514313 1023314051 /nfs/dbraw/zinc/31/40/51/1023314051.db2.gz OLNBBXOVTPBYAW-QRVBRYPASA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001122514313 1023314054 /nfs/dbraw/zinc/31/40/54/1023314054.db2.gz OLNBBXOVTPBYAW-QRVBRYPASA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001122514313 1023314058 /nfs/dbraw/zinc/31/40/58/1023314058.db2.gz OLNBBXOVTPBYAW-QRVBRYPASA-N 2 1 374.577 2.830 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101437704 1024740748 /nfs/dbraw/zinc/74/07/48/1024740748.db2.gz KEQWVMYIKKFASE-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102507283 1026157938 /nfs/dbraw/zinc/15/79/38/1026157938.db2.gz VMPYZAAOHRHQKG-WRWLIDTKSA-N 2 1 363.933 2.900 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434000 1027474052 /nfs/dbraw/zinc/47/40/52/1027474052.db2.gz QOWCCPDVPDFJBD-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434000 1027474058 /nfs/dbraw/zinc/47/40/58/1027474058.db2.gz QOWCCPDVPDFJBD-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434000 1027474067 /nfs/dbraw/zinc/47/40/67/1027474067.db2.gz QOWCCPDVPDFJBD-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001103438443 1027485260 /nfs/dbraw/zinc/48/52/60/1027485260.db2.gz JJGFEEUDRDINLM-WIYYLYMNSA-N 2 1 355.526 2.502 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001103448656 1027500209 /nfs/dbraw/zinc/50/02/09/1027500209.db2.gz WPINNANEJWUVOI-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583353 1027724336 /nfs/dbraw/zinc/72/43/36/1027724336.db2.gz RHSUFRDKMQAWHM-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103583353 1027724357 /nfs/dbraw/zinc/72/43/57/1027724357.db2.gz RHSUFRDKMQAWHM-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP Cc1ccc2nc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c(C#N)c(Cl)c2c1 ZINC001160516905 1027734456 /nfs/dbraw/zinc/73/44/56/1027734456.db2.gz MSNUHWRVTPSUOQ-IBGZPJMESA-N 2 1 355.873 2.903 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632530 1027830735 /nfs/dbraw/zinc/83/07/35/1027830735.db2.gz KLGASVDDWRFARN-WOIUINJBSA-N 2 1 355.526 2.561 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001153501719 1027906869 /nfs/dbraw/zinc/90/68/69/1027906869.db2.gz SOIHOXYZJPTDSG-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001153501719 1027906889 /nfs/dbraw/zinc/90/68/89/1027906889.db2.gz SOIHOXYZJPTDSG-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001153501719 1027906907 /nfs/dbraw/zinc/90/69/07/1027906907.db2.gz SOIHOXYZJPTDSG-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP N#Cc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc2ccc(Cl)cc12 ZINC001155382439 1028708664 /nfs/dbraw/zinc/70/86/64/1028708664.db2.gz NMORGQXSALSXSL-MRXNPFEDSA-N 2 1 355.873 2.619 20 30 FFEDMP CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2c1C[N@@H+](C)CC2 ZINC001163474564 1028940457 /nfs/dbraw/zinc/94/04/57/1028940457.db2.gz KEZRXMQMWTZWJW-UHFFFAOYSA-N 2 1 358.877 2.607 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001205326206 1031671699 /nfs/dbraw/zinc/67/16/99/1031671699.db2.gz RXZMSJQJIQGEGV-YZGWKJHDSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458173 1031761641 /nfs/dbraw/zinc/76/16/41/1031761641.db2.gz AEIZECUOYAOISD-ZWKOTPCHSA-N 2 1 367.896 2.802 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CCCCC2)CC[N@H+]1C ZINC001115543448 1031817326 /nfs/dbraw/zinc/81/73/26/1031817326.db2.gz IQWPTDKBQABVQQ-YLJYHZDGSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678833 1031928185 /nfs/dbraw/zinc/92/81/85/1031928185.db2.gz VTLYBIUBTKGOMW-FUHWJXTLSA-N 2 1 367.896 2.804 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678833 1031928201 /nfs/dbraw/zinc/92/82/01/1031928201.db2.gz VTLYBIUBTKGOMW-FUHWJXTLSA-N 2 1 367.896 2.804 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001220597564 1034280302 /nfs/dbraw/zinc/28/03/02/1034280302.db2.gz DRYKAZKDSYVZQV-GUDVDZBRSA-N 2 1 350.551 2.809 20 30 FFEDMP CC(C)C[C@H](C#N)NC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220702765 1034344214 /nfs/dbraw/zinc/34/42/14/1034344214.db2.gz FREULZVKVOJHDH-KCZVDYSFSA-N 2 1 368.525 2.543 20 30 FFEDMP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001221810223 1035085768 /nfs/dbraw/zinc/08/57/68/1035085768.db2.gz KAABXZVRGPSWIO-YPAWHYETSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001221810223 1035085776 /nfs/dbraw/zinc/08/57/76/1035085776.db2.gz KAABXZVRGPSWIO-YPAWHYETSA-N 2 1 367.537 2.691 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)nc1)CC2 ZINC001140541724 1035593887 /nfs/dbraw/zinc/59/38/87/1035593887.db2.gz RMDXTZQXUZXRNO-LJQANCHMSA-N 2 1 366.465 2.802 20 30 FFEDMP C=CCOC[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001207483055 1037478572 /nfs/dbraw/zinc/47/85/72/1037478572.db2.gz SLTARQZDCTUMBI-IBGZPJMESA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001207483055 1037478580 /nfs/dbraw/zinc/47/85/80/1037478580.db2.gz SLTARQZDCTUMBI-IBGZPJMESA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738389 1038502050 /nfs/dbraw/zinc/50/20/50/1038502050.db2.gz CICVDCRKUZACCI-VAMGGRTRSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957229 1038606925 /nfs/dbraw/zinc/60/69/25/1038606925.db2.gz FCFJJPGQAUWDSI-UXHICEINSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957229 1038606931 /nfs/dbraw/zinc/60/69/31/1038606931.db2.gz FCFJJPGQAUWDSI-UXHICEINSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957229 1038606936 /nfs/dbraw/zinc/60/69/36/1038606936.db2.gz FCFJJPGQAUWDSI-UXHICEINSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957229 1038606940 /nfs/dbraw/zinc/60/69/40/1038606940.db2.gz FCFJJPGQAUWDSI-UXHICEINSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957229 1038606943 /nfs/dbraw/zinc/60/69/43/1038606943.db2.gz FCFJJPGQAUWDSI-UXHICEINSA-N 2 1 357.498 2.885 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C)cc1C#N)CC2 ZINC001278961505 1038611792 /nfs/dbraw/zinc/61/17/92/1038611792.db2.gz XCGUURJDBVTMJY-UHFFFAOYSA-N 2 1 357.498 2.775 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C)cc1C#N)CC2 ZINC001278961505 1038611796 /nfs/dbraw/zinc/61/17/96/1038611796.db2.gz XCGUURJDBVTMJY-UHFFFAOYSA-N 2 1 357.498 2.775 20 30 FFEDMP CC(C)N1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257220463 1038748542 /nfs/dbraw/zinc/74/85/42/1038748542.db2.gz QIADOQKBQRSLFC-JOCHJYFZSA-N 2 1 366.509 2.860 20 30 FFEDMP CC(C)[NH+]1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257220463 1038748557 /nfs/dbraw/zinc/74/85/57/1038748557.db2.gz QIADOQKBQRSLFC-JOCHJYFZSA-N 2 1 366.509 2.860 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246027076 1039199160 /nfs/dbraw/zinc/19/91/60/1039199160.db2.gz HFRPMXTZQRLETA-OALUTQOASA-N 2 1 366.546 2.881 20 30 FFEDMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246198099 1039276335 /nfs/dbraw/zinc/27/63/35/1039276335.db2.gz CNFOZJYZKGUBTJ-NTFDOXNWSA-N 2 1 355.482 2.715 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001252126168 1039440452 /nfs/dbraw/zinc/44/04/52/1039440452.db2.gz MFBQUPNLETYOFW-GOSISDBHSA-N 2 1 374.533 2.840 20 30 FFEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252130411 1039443673 /nfs/dbraw/zinc/44/36/73/1039443673.db2.gz PVLFSAMEHRJYMZ-HXUWFJFHSA-N 2 1 367.578 2.760 20 30 FFEDMP C[NH+]1CCC(n2cc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cn2)CC1 ZINC001210752637 1039707695 /nfs/dbraw/zinc/70/76/95/1039707695.db2.gz YYOUXQUVPHYASD-UHFFFAOYSA-N 2 1 356.499 2.814 20 30 FFEDMP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001278691912 1039913867 /nfs/dbraw/zinc/91/38/67/1039913867.db2.gz HUVOFUCRULLZKP-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001278691912 1039913870 /nfs/dbraw/zinc/91/38/70/1039913870.db2.gz HUVOFUCRULLZKP-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094580 1039942045 /nfs/dbraw/zinc/94/20/45/1039942045.db2.gz HFRZWPWDKBYACW-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094580 1039942056 /nfs/dbraw/zinc/94/20/56/1039942056.db2.gz HFRZWPWDKBYACW-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP Cc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)ccc1C#N ZINC001247909829 1040040715 /nfs/dbraw/zinc/04/07/15/1040040715.db2.gz UENCOXXOWAKIEP-UHFFFAOYSA-N 2 1 351.454 2.848 20 30 FFEDMP N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664769 1040862740 /nfs/dbraw/zinc/86/27/40/1040862740.db2.gz JNWKZFCBPUSQCZ-ZPAWYTMASA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664769 1040862754 /nfs/dbraw/zinc/86/27/54/1040862754.db2.gz JNWKZFCBPUSQCZ-ZPAWYTMASA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001254664769 1040862768 /nfs/dbraw/zinc/86/27/68/1040862768.db2.gz JNWKZFCBPUSQCZ-ZPAWYTMASA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001254664769 1040862786 /nfs/dbraw/zinc/86/27/86/1040862786.db2.gz JNWKZFCBPUSQCZ-ZPAWYTMASA-N 2 1 353.514 2.750 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001262568534 1041727082 /nfs/dbraw/zinc/72/70/82/1041727082.db2.gz YUJRYEAMHXKJGP-OXQOHEQNSA-N 2 1 364.917 2.856 20 30 FFEDMP C=CCn1c(CCn2cc[nH+]c2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001262990197 1042013969 /nfs/dbraw/zinc/01/39/69/1042013969.db2.gz RZJQEAYCTSEJCO-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C=CCn1c(CCn2cc[nH+]c2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001262990197 1042013976 /nfs/dbraw/zinc/01/39/76/1042013976.db2.gz RZJQEAYCTSEJCO-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263887424 1042512018 /nfs/dbraw/zinc/51/20/18/1042512018.db2.gz VVOWRBFDCGSRQT-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001263887424 1042512021 /nfs/dbraw/zinc/51/20/21/1042512021.db2.gz VVOWRBFDCGSRQT-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001263905251 1042522649 /nfs/dbraw/zinc/52/26/49/1042522649.db2.gz REYUTLLYLLMIRR-HBMCJLEFSA-N 2 1 368.525 2.807 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001264651824 1042770806 /nfs/dbraw/zinc/77/08/06/1042770806.db2.gz ISCXXFDUKBIWEE-YADHBBJMSA-N 2 1 369.553 2.907 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001264651824 1042770809 /nfs/dbraw/zinc/77/08/09/1042770809.db2.gz ISCXXFDUKBIWEE-YADHBBJMSA-N 2 1 369.553 2.907 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]2C1 ZINC001264651824 1042770812 /nfs/dbraw/zinc/77/08/12/1042770812.db2.gz ISCXXFDUKBIWEE-YADHBBJMSA-N 2 1 369.553 2.907 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)ccc(C#N)c3F)C[C@H]2CC1 ZINC001279133263 1042912774 /nfs/dbraw/zinc/91/27/74/1042912774.db2.gz KITLAKDHAPHCMD-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@H]2CC1 ZINC001279133263 1042912777 /nfs/dbraw/zinc/91/27/77/1042912777.db2.gz KITLAKDHAPHCMD-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@H]2CC1 ZINC001279133263 1042912781 /nfs/dbraw/zinc/91/27/81/1042912781.db2.gz KITLAKDHAPHCMD-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@H](CC(=O)N(C)CC[NH+](CC)CC)O[C@H]2C1 ZINC001279719634 1043523640 /nfs/dbraw/zinc/52/36/40/1043523640.db2.gz DCOHVCGVKLVHBW-AABGKKOBSA-N 2 1 365.562 2.622 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279865283 1043796728 /nfs/dbraw/zinc/79/67/28/1043796728.db2.gz VFLMKZNTQANWTN-RLLQIKCJSA-N 2 1 365.562 2.647 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290258 1044302063 /nfs/dbraw/zinc/30/20/63/1044302063.db2.gz AZGBTDBUUHNGMN-SFTDATJTSA-N 2 1 370.541 2.856 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290258 1044302068 /nfs/dbraw/zinc/30/20/68/1044302068.db2.gz AZGBTDBUUHNGMN-SFTDATJTSA-N 2 1 370.541 2.856 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001316651853 1049406264 /nfs/dbraw/zinc/40/62/64/1049406264.db2.gz CJKZFWVZKNQSJL-PWRODBHTSA-N 2 1 368.525 2.807 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC001338490741 1055563347 /nfs/dbraw/zinc/56/33/47/1055563347.db2.gz AQZXETQZMTZMNK-OAQYLSRUSA-N 2 1 352.478 2.657 20 30 FFEDMP CCC(CC)[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+]1CCOCC1 ZINC000849057867 1055609875 /nfs/dbraw/zinc/60/98/75/1055609875.db2.gz XYZIBTICTDNJKR-HXUWFJFHSA-N 2 1 360.546 2.831 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339108776 1056101296 /nfs/dbraw/zinc/10/12/96/1056101296.db2.gz HARYKPZCRVMBPB-GOSISDBHSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339108776 1056101300 /nfs/dbraw/zinc/10/13/00/1056101300.db2.gz HARYKPZCRVMBPB-GOSISDBHSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001100690696 1059628554 /nfs/dbraw/zinc/62/85/54/1059628554.db2.gz QHPNZKLTHOVRGR-HXJFWZBSSA-N 2 1 355.526 2.782 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001466255888 1063373398 /nfs/dbraw/zinc/37/33/98/1063373398.db2.gz ZVFXYDLCODTUHI-DYESRHJHSA-N 2 1 372.557 2.957 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001466255888 1063373416 /nfs/dbraw/zinc/37/34/16/1063373416.db2.gz ZVFXYDLCODTUHI-DYESRHJHSA-N 2 1 372.557 2.957 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)C(C)C ZINC001467660304 1063810512 /nfs/dbraw/zinc/81/05/12/1063810512.db2.gz MVPFEOWUOPGVOS-ICSRJNTNSA-N 2 1 362.562 2.811 20 30 FFEDMP C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001574921855 1078092999 /nfs/dbraw/zinc/09/29/99/1078092999.db2.gz LONDINNBKYGJFN-KSZLIROESA-N 2 1 360.550 2.978 20 30 FFEDMP C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001575912401 1078177274 /nfs/dbraw/zinc/17/72/74/1078177274.db2.gz ASTLVKKILUEYRQ-IXDOHACOSA-N 2 1 373.549 2.561 20 30 FFEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420577 250312904 /nfs/dbraw/zinc/31/29/04/250312904.db2.gz FFESEJUQAGVPPA-NRFANRHFSA-N 2 1 362.477 2.545 20 30 FFEDMP N#Cc1c(Cl)nsc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299580042 258007009 /nfs/dbraw/zinc/00/70/09/258007009.db2.gz QZJHOSZICIVLRE-UHFFFAOYSA-N 2 1 362.890 2.687 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000373116274 512179337 /nfs/dbraw/zinc/17/93/37/512179337.db2.gz UEYABMIGJKIAJD-UHFFFAOYSA-N 2 1 362.562 2.973 20 30 FFEDMP C=CCN1CC[C@@H]([N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000366847535 512215761 /nfs/dbraw/zinc/21/57/61/512215761.db2.gz SWJBYAYMUXTOLA-LJQANCHMSA-N 2 1 371.529 2.561 20 30 FFEDMP C=CCN1CC[C@@H]([N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000366847535 512215764 /nfs/dbraw/zinc/21/57/64/512215764.db2.gz SWJBYAYMUXTOLA-LJQANCHMSA-N 2 1 371.529 2.561 20 30 FFEDMP CN(CCC#N)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377625223 512360965 /nfs/dbraw/zinc/36/09/65/512360965.db2.gz IGOYFMOOUWPUND-QFIPXVFZSA-N 2 1 369.557 2.637 20 30 FFEDMP C[N@H+]1CCCN(CCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000083032606 508234268 /nfs/dbraw/zinc/23/42/68/508234268.db2.gz QIEDZKWGEWHDSB-UHFFFAOYSA-N 2 1 367.497 2.843 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000104180095 508329704 /nfs/dbraw/zinc/32/97/04/508329704.db2.gz NUAJKIVDXLIHQE-MRXNPFEDSA-N 2 1 368.481 2.843 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000104180095 508329706 /nfs/dbraw/zinc/32/97/06/508329706.db2.gz NUAJKIVDXLIHQE-MRXNPFEDSA-N 2 1 368.481 2.843 20 30 FFEDMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119870748 508881103 /nfs/dbraw/zinc/88/11/03/508881103.db2.gz KARBWUWGTAUVKY-QGZVFWFLSA-N 2 1 364.497 2.683 20 30 FFEDMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119870748 508881107 /nfs/dbraw/zinc/88/11/07/508881107.db2.gz KARBWUWGTAUVKY-QGZVFWFLSA-N 2 1 364.497 2.683 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C(C)C ZINC000182359888 509194388 /nfs/dbraw/zinc/19/43/88/509194388.db2.gz YBNWAIGLDJQNIY-HSALFYBXSA-N 2 1 362.562 2.811 20 30 FFEDMP C[C@H](NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000264074496 509317923 /nfs/dbraw/zinc/31/79/23/509317923.db2.gz FERYLIQUFQYPAV-ZDUSSCGKSA-N 2 1 372.344 2.596 20 30 FFEDMP COCCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180161867 509785377 /nfs/dbraw/zinc/78/53/77/509785377.db2.gz JLGRXPQJFJKWPO-UHFFFAOYSA-N 2 1 367.497 2.549 20 30 FFEDMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCC[N@H+]1C ZINC000262481716 510295050 /nfs/dbraw/zinc/29/50/50/510295050.db2.gz DBQBSWGMEZEUQW-FXAWDEMLSA-N 2 1 366.513 2.719 20 30 FFEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000262553310 510314301 /nfs/dbraw/zinc/31/43/01/510314301.db2.gz UHXXZYJMLLOIEF-DLBZAZTESA-N 2 1 354.454 2.845 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000171738715 510340167 /nfs/dbraw/zinc/34/01/67/510340167.db2.gz CEZKVPGPKMFZHK-UHFFFAOYSA-N 2 1 370.541 2.943 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000247446431 510861108 /nfs/dbraw/zinc/86/11/08/510861108.db2.gz PVZFAELCWYGGOR-HKUYNNGSSA-N 2 1 359.539 2.592 20 30 FFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247531120 510864649 /nfs/dbraw/zinc/86/46/49/510864649.db2.gz OEZIUOKIBKFTLS-FPOVZHCZSA-N 2 1 358.526 2.963 20 30 FFEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247531120 510864650 /nfs/dbraw/zinc/86/46/50/510864650.db2.gz OEZIUOKIBKFTLS-FPOVZHCZSA-N 2 1 358.526 2.963 20 30 FFEDMP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC[C@@H]21 ZINC000330121692 510920996 /nfs/dbraw/zinc/92/09/96/510920996.db2.gz GZEJTAWFGNWRST-ZACQAIPSSA-N 2 1 373.545 2.826 20 30 FFEDMP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC[C@@H]21 ZINC000330121692 510921000 /nfs/dbraw/zinc/92/10/00/510921000.db2.gz GZEJTAWFGNWRST-ZACQAIPSSA-N 2 1 373.545 2.826 20 30 FFEDMP Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000272892106 511510904 /nfs/dbraw/zinc/51/09/04/511510904.db2.gz IWXJFXVEZSRMGU-HXUWFJFHSA-N 2 1 352.482 2.797 20 30 FFEDMP C=CCN1CC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000280938315 511659178 /nfs/dbraw/zinc/65/91/78/511659178.db2.gz FMDVTTRIDUTDAQ-FQEVSTJZSA-N 2 1 356.514 2.663 20 30 FFEDMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711728 511717215 /nfs/dbraw/zinc/71/72/15/511717215.db2.gz IHONDKCCBMKVSL-ICSRJNTNSA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711728 511717220 /nfs/dbraw/zinc/71/72/20/511717220.db2.gz IHONDKCCBMKVSL-ICSRJNTNSA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711728 511717224 /nfs/dbraw/zinc/71/72/24/511717224.db2.gz IHONDKCCBMKVSL-ICSRJNTNSA-N 2 1 368.525 2.829 20 30 FFEDMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCSC1 ZINC000329059751 511975233 /nfs/dbraw/zinc/97/52/33/511975233.db2.gz NFIWSMLKLMRCCG-QGZVFWFLSA-N 2 1 363.527 2.669 20 30 FFEDMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCSC1 ZINC000329059751 511975238 /nfs/dbraw/zinc/97/52/38/511975238.db2.gz NFIWSMLKLMRCCG-QGZVFWFLSA-N 2 1 363.527 2.669 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329723215 512090274 /nfs/dbraw/zinc/09/02/74/512090274.db2.gz NPPFUHFIGNSUQE-AEFFLSMTSA-N 2 1 367.497 2.777 20 30 FFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331389 514096957 /nfs/dbraw/zinc/09/69/57/514096957.db2.gz QRLXMSBCZAEKBI-RCCFBDPRSA-N 2 1 361.555 2.973 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000415133363 514460766 /nfs/dbraw/zinc/46/07/66/514460766.db2.gz VCOBIHXNYJXMJX-MRXNPFEDSA-N 2 1 361.877 2.792 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837374 515081912 /nfs/dbraw/zinc/08/19/12/515081912.db2.gz KYCRMABHMBKFHP-LEWJYISDSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837374 515081916 /nfs/dbraw/zinc/08/19/16/515081916.db2.gz KYCRMABHMBKFHP-LEWJYISDSA-N 2 1 371.525 2.742 20 30 FFEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481915597 515513179 /nfs/dbraw/zinc/51/31/79/515513179.db2.gz CKSYBKLUSUONBN-OAQYLSRUSA-N 2 1 368.525 2.858 20 30 FFEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000481925079 515516080 /nfs/dbraw/zinc/51/60/80/515516080.db2.gz LZZLHATZVYKTRQ-AZUAARDMSA-N 2 1 354.498 2.503 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000484082534 516292758 /nfs/dbraw/zinc/29/27/58/516292758.db2.gz RJAZMHXLAQNEBW-BGYRXZFFSA-N 2 1 356.510 2.628 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000484082534 516292765 /nfs/dbraw/zinc/29/27/65/516292765.db2.gz RJAZMHXLAQNEBW-BGYRXZFFSA-N 2 1 356.510 2.628 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000519903292 517237641 /nfs/dbraw/zinc/23/76/41/517237641.db2.gz RHBHZSZHLVBNAR-UHFFFAOYSA-N 2 1 356.514 2.618 20 30 FFEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522909 519197573 /nfs/dbraw/zinc/19/75/73/519197573.db2.gz GNOBCIOSBKHPHR-QGZVFWFLSA-N 2 1 362.543 2.572 20 30 FFEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522909 519197582 /nfs/dbraw/zinc/19/75/82/519197582.db2.gz GNOBCIOSBKHPHR-QGZVFWFLSA-N 2 1 362.543 2.572 20 30 FFEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522909 519197586 /nfs/dbraw/zinc/19/75/86/519197586.db2.gz GNOBCIOSBKHPHR-QGZVFWFLSA-N 2 1 362.543 2.572 20 30 FFEDMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602528635 521396122 /nfs/dbraw/zinc/39/61/22/521396122.db2.gz ONMUYSVNFSGQCY-VQTJNVASSA-N 2 1 356.514 2.767 20 30 FFEDMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602528635 521396128 /nfs/dbraw/zinc/39/61/28/521396128.db2.gz ONMUYSVNFSGQCY-VQTJNVASSA-N 2 1 356.514 2.767 20 30 FFEDMP C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303723328 729734439 /nfs/dbraw/zinc/73/44/39/729734439.db2.gz YXVBZMWKSREGMI-GFCCVEGCSA-N 2 1 359.301 2.681 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC(F)(F)F ZINC000303880094 729735334 /nfs/dbraw/zinc/73/53/34/729735334.db2.gz KAUAPMXCITWSHI-CQSZACIVSA-N 2 1 358.408 2.516 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)c(Br)c1 ZINC000303892029 729735572 /nfs/dbraw/zinc/73/55/72/729735572.db2.gz RDOCOZIQWNZFOW-ZDUSSCGKSA-N 2 1 371.298 2.519 20 30 FFEDMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000865696148 730986936 /nfs/dbraw/zinc/98/69/36/730986936.db2.gz XCTKEAZCPDOBIP-UHFFFAOYSA-N 2 1 355.511 2.835 20 30 FFEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175390247 1013468665 /nfs/dbraw/zinc/46/86/65/1013468665.db2.gz XHXOFUOWAIDRKY-NRSPTQNISA-N 2 1 355.526 2.620 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001266786065 964143161 /nfs/dbraw/zinc/14/31/61/964143161.db2.gz AHROSISUBHEZOY-FDFHNCONSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837886 965594155 /nfs/dbraw/zinc/59/41/55/965594155.db2.gz MEVZEQJOWPFCCS-NRFANRHFSA-N 2 1 355.526 2.911 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101869 965773343 /nfs/dbraw/zinc/77/33/43/965773343.db2.gz PKGCNCMVHPINGU-CSODHUTKSA-N 2 1 368.525 2.615 20 30 FFEDMP N#Cc1ccc(N2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)nc1 ZINC001167994833 967172242 /nfs/dbraw/zinc/17/22/42/967172242.db2.gz QPDRKSUWCPBNAP-WCRBZPEASA-N 2 1 365.525 2.871 20 30 FFEDMP N#Cc1ccc(N2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167994833 967172251 /nfs/dbraw/zinc/17/22/51/967172251.db2.gz QPDRKSUWCPBNAP-WCRBZPEASA-N 2 1 365.525 2.871 20 30 FFEDMP N#Cc1ccc(N2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167994833 967172259 /nfs/dbraw/zinc/17/22/59/967172259.db2.gz QPDRKSUWCPBNAP-WCRBZPEASA-N 2 1 365.525 2.871 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001023371931 967754113 /nfs/dbraw/zinc/75/41/13/967754113.db2.gz ITQWJZVAINZFIE-PCCBWWKXSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087684659 968598340 /nfs/dbraw/zinc/59/83/40/968598340.db2.gz GXDUOLVACHVLDR-VQTJNVASSA-N 2 1 368.525 2.902 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000170906085 970241052 /nfs/dbraw/zinc/24/10/52/970241052.db2.gz ROOBPGPJLRHZFN-QGZVFWFLSA-N 2 1 356.470 2.920 20 30 FFEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267631561 970344120 /nfs/dbraw/zinc/34/41/20/970344120.db2.gz JCERCSFNSYJPAJ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001267631561 970344128 /nfs/dbraw/zinc/34/41/28/970344128.db2.gz JCERCSFNSYJPAJ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001267631561 970344141 /nfs/dbraw/zinc/34/41/41/970344141.db2.gz JCERCSFNSYJPAJ-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088770541 976074030 /nfs/dbraw/zinc/07/40/30/976074030.db2.gz SNYAJQPINQLMCB-CZAAIQMYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088770541 976074042 /nfs/dbraw/zinc/07/40/42/976074042.db2.gz SNYAJQPINQLMCB-CZAAIQMYSA-N 2 1 366.509 2.512 20 30 FFEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810184 976619540 /nfs/dbraw/zinc/61/95/40/976619540.db2.gz LTVGTYQINBBTCD-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810184 976619546 /nfs/dbraw/zinc/61/95/46/976619546.db2.gz LTVGTYQINBBTCD-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810184 976619553 /nfs/dbraw/zinc/61/95/53/976619553.db2.gz LTVGTYQINBBTCD-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810184 976619558 /nfs/dbraw/zinc/61/95/58/976619558.db2.gz LTVGTYQINBBTCD-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087435894 976988103 /nfs/dbraw/zinc/98/81/03/976988103.db2.gz MEEROQMALBNJBE-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001087435894 976988107 /nfs/dbraw/zinc/98/81/07/976988107.db2.gz MEEROQMALBNJBE-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001087435894 976988120 /nfs/dbraw/zinc/98/81/20/976988120.db2.gz MEEROQMALBNJBE-VXSCBNMQSA-N 2 1 367.537 2.714 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087441379 977486548 /nfs/dbraw/zinc/48/65/48/977486548.db2.gz DNUNPJWDXBVWMM-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087441379 977486550 /nfs/dbraw/zinc/48/65/50/977486550.db2.gz DNUNPJWDXBVWMM-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087441379 977486553 /nfs/dbraw/zinc/48/65/53/977486553.db2.gz DNUNPJWDXBVWMM-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001087456158 977794803 /nfs/dbraw/zinc/79/48/03/977794803.db2.gz HAXPHPUHAAXNSB-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087456158 977794811 /nfs/dbraw/zinc/79/48/11/977794811.db2.gz HAXPHPUHAAXNSB-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087456158 977794824 /nfs/dbraw/zinc/79/48/24/977794824.db2.gz HAXPHPUHAAXNSB-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087456158 977794830 /nfs/dbraw/zinc/79/48/30/977794830.db2.gz HAXPHPUHAAXNSB-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261768891 978102281 /nfs/dbraw/zinc/10/22/81/978102281.db2.gz NAQWJZRRYGQIHN-AVRDEDQJSA-N 2 1 354.542 2.884 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)[C@@H]2C)CC[N@@H+]1C ZINC001088579412 981290678 /nfs/dbraw/zinc/29/06/78/981290678.db2.gz GAKMKQHYWJGGDH-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)[C@@H]2C)CC[N@H+]1C ZINC001088579412 981290682 /nfs/dbraw/zinc/29/06/82/981290682.db2.gz GAKMKQHYWJGGDH-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)CC[NH+]1C ZINC001088579412 981290689 /nfs/dbraw/zinc/29/06/89/981290689.db2.gz GAKMKQHYWJGGDH-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)CC[NH+]1C ZINC001088579412 981290692 /nfs/dbraw/zinc/29/06/92/981290692.db2.gz GAKMKQHYWJGGDH-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CCCO[C@H](C)C3)c2)CCCO1 ZINC000878041518 1014830424 /nfs/dbraw/zinc/83/04/24/1014830424.db2.gz NIGRLGRVTXXQAP-QZTJIDSGSA-N 2 1 357.498 2.780 20 30 FFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCC1 ZINC001105544174 982394506 /nfs/dbraw/zinc/39/45/06/982394506.db2.gz CKGJAYGDNNSYTE-LMMKCTJWSA-N 2 1 354.498 2.678 20 30 FFEDMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2)[NH+](C)C ZINC001107553721 984684632 /nfs/dbraw/zinc/68/46/32/984684632.db2.gz MQWGVMCEQZYUGT-TUNNFDKTSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)[C@@H]2C)CC1 ZINC001089059266 986138921 /nfs/dbraw/zinc/13/89/21/986138921.db2.gz GPEHGKOMBFFMHR-KNQAVFIVSA-N 2 1 367.537 2.728 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001089060782 986144862 /nfs/dbraw/zinc/14/48/62/986144862.db2.gz GOQKQBNYLWTPQP-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001089060782 986144867 /nfs/dbraw/zinc/14/48/67/986144867.db2.gz GOQKQBNYLWTPQP-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001089060782 986144876 /nfs/dbraw/zinc/14/48/76/986144876.db2.gz GOQKQBNYLWTPQP-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249303 987756487 /nfs/dbraw/zinc/75/64/87/987756487.db2.gz GDMWAHARJWUREA-KYJSFNMBSA-N 2 1 353.938 2.830 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497736 987776321 /nfs/dbraw/zinc/77/63/21/987776321.db2.gz VALDAIOMXMCZHG-HSALFYBXSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497736 987776327 /nfs/dbraw/zinc/77/63/27/987776327.db2.gz VALDAIOMXMCZHG-HSALFYBXSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497736 987776334 /nfs/dbraw/zinc/77/63/34/987776334.db2.gz VALDAIOMXMCZHG-HSALFYBXSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497737 987776552 /nfs/dbraw/zinc/77/65/52/987776552.db2.gz VALDAIOMXMCZHG-VAMGGRTRSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497737 987776560 /nfs/dbraw/zinc/77/65/60/987776560.db2.gz VALDAIOMXMCZHG-VAMGGRTRSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497737 987776567 /nfs/dbraw/zinc/77/65/67/987776567.db2.gz VALDAIOMXMCZHG-VAMGGRTRSA-N 2 1 365.562 2.669 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079174871 991848741 /nfs/dbraw/zinc/84/87/41/991848741.db2.gz KJMSDMGVYKCRJN-KSZLIROESA-N 2 1 365.880 2.556 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@H]2C)CC1 ZINC001080997457 993547841 /nfs/dbraw/zinc/54/78/41/993547841.db2.gz DZYJTOHTDBKBTB-WOIUINJBSA-N 2 1 367.537 2.838 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001081137767 993694097 /nfs/dbraw/zinc/69/40/97/993694097.db2.gz OLLLLQSSQPLKNR-HBMCJLEFSA-N 2 1 355.526 2.877 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086695440 995154719 /nfs/dbraw/zinc/15/47/19/995154719.db2.gz QVALOBJBYZDKQH-WMQCIHAUSA-N 2 1 368.525 2.806 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085331808 999376525 /nfs/dbraw/zinc/37/65/25/999376525.db2.gz AOVLEYSJGSRXNL-RKVPGOIHSA-N 2 1 359.917 2.968 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001109418146 1000409330 /nfs/dbraw/zinc/40/93/30/1000409330.db2.gz ZJWNSTDYIKZNCC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109418146 1000409336 /nfs/dbraw/zinc/40/93/36/1000409336.db2.gz ZJWNSTDYIKZNCC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109418146 1000409341 /nfs/dbraw/zinc/40/93/41/1000409341.db2.gz ZJWNSTDYIKZNCC-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109638993 1000751388 /nfs/dbraw/zinc/75/13/88/1000751388.db2.gz OKAXEXUKHBOEEX-FUMNGEBKSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109638993 1000751398 /nfs/dbraw/zinc/75/13/98/1000751398.db2.gz OKAXEXUKHBOEEX-FUMNGEBKSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638993 1000751402 /nfs/dbraw/zinc/75/14/02/1000751402.db2.gz OKAXEXUKHBOEEX-FUMNGEBKSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638993 1000751411 /nfs/dbraw/zinc/75/14/11/1000751411.db2.gz OKAXEXUKHBOEEX-FUMNGEBKSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678909 1001033048 /nfs/dbraw/zinc/03/30/48/1001033048.db2.gz SMFOHKAOYYWXKS-YXTQBTIXSA-N 2 1 368.525 2.510 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1 ZINC001112557395 1001468124 /nfs/dbraw/zinc/46/81/24/1001468124.db2.gz DQOJZIOPYPTOID-GMAHTHKFSA-N 2 1 367.537 2.598 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1 ZINC001112557587 1001468298 /nfs/dbraw/zinc/46/82/98/1001468298.db2.gz OBHFBWBWHOJONU-UNMCSNQZSA-N 2 1 368.525 2.618 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001112562159 1001481304 /nfs/dbraw/zinc/48/13/04/1001481304.db2.gz KFNATWIEJFCIBU-FUDKSRODSA-N 2 1 367.537 2.921 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001112586385 1001538301 /nfs/dbraw/zinc/53/83/01/1001538301.db2.gz XFWKTQVEZYMRMY-UNMCSNQZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001095499341 1016515008 /nfs/dbraw/zinc/51/50/08/1016515008.db2.gz YZYLHLIURBVSKS-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095499341 1016515021 /nfs/dbraw/zinc/51/50/21/1016515021.db2.gz YZYLHLIURBVSKS-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095499341 1016515035 /nfs/dbraw/zinc/51/50/35/1016515035.db2.gz YZYLHLIURBVSKS-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095499341 1016515049 /nfs/dbraw/zinc/51/50/49/1016515049.db2.gz YZYLHLIURBVSKS-IVAOSVALSA-N 2 1 366.509 2.654 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015797 1002292643 /nfs/dbraw/zinc/29/26/43/1002292643.db2.gz WILWCXOJFNJWBT-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092015797 1002292651 /nfs/dbraw/zinc/29/26/51/1002292651.db2.gz WILWCXOJFNJWBT-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)C1 ZINC001183838403 1002404906 /nfs/dbraw/zinc/40/49/06/1002404906.db2.gz GUMBXPMUGUOVBW-NQIIRXRSSA-N 2 1 368.525 2.761 20 30 FFEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365439 1002422596 /nfs/dbraw/zinc/42/25/96/1002422596.db2.gz KDWBJLVYGOLTFO-TYPHKJRUSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001086613248 1003362959 /nfs/dbraw/zinc/36/29/59/1003362959.db2.gz KBDJRLLQEXQEGW-LEWJYISDSA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001489045291 1005392755 /nfs/dbraw/zinc/39/27/55/1005392755.db2.gz PPBCQBMUDPFDRP-HJNYFJLDSA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@H]1C[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852866377 1006212874 /nfs/dbraw/zinc/21/28/74/1006212874.db2.gz GLGCULMXIHHSRQ-GHTZIAJQSA-N 2 1 353.510 2.501 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154989 1009927907 /nfs/dbraw/zinc/92/79/07/1009927907.db2.gz XWXSHQLEMSDTRT-INIZCTEOSA-N 2 1 358.442 2.861 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001093223547 1010166212 /nfs/dbraw/zinc/16/62/12/1010166212.db2.gz BCERUYSKKHDBQM-WIYYLYMNSA-N 2 1 357.542 2.516 20 30 FFEDMP N#Cc1ccccc1N1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000866448832 1010997297 /nfs/dbraw/zinc/99/72/97/1010997297.db2.gz NFQFHXPYOSMFJK-NRFANRHFSA-N 2 1 368.525 2.760 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453478 1011142625 /nfs/dbraw/zinc/14/26/25/1011142625.db2.gz VOUQRQUYOTVSRV-TZIWHRDSSA-N 2 1 350.466 2.640 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094511757 1011180575 /nfs/dbraw/zinc/18/05/75/1011180575.db2.gz ARCXZSHEGKXEEO-FYYLOGMGSA-N 2 1 367.537 2.788 20 30 FFEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN(C3CC3)C(=O)C2)cc1 ZINC001172002706 1011561370 /nfs/dbraw/zinc/56/13/70/1011561370.db2.gz AUHWKTZQXCEMDQ-HMXCVIKNSA-N 2 1 366.509 2.784 20 30 FFEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172251573 1011722667 /nfs/dbraw/zinc/72/26/67/1011722667.db2.gz GIPBYMMEIGGHGN-NRFANRHFSA-N 2 1 363.546 2.520 20 30 FFEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CCCOC)CC1)CC2 ZINC001172251573 1011722681 /nfs/dbraw/zinc/72/26/81/1011722681.db2.gz GIPBYMMEIGGHGN-NRFANRHFSA-N 2 1 363.546 2.520 20 30 FFEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001172253497 1011728037 /nfs/dbraw/zinc/72/80/37/1011728037.db2.gz RSZCDKYNVUPBCN-HXUWFJFHSA-N 2 1 357.498 2.902 20 30 FFEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001172253497 1011728048 /nfs/dbraw/zinc/72/80/48/1011728048.db2.gz RSZCDKYNVUPBCN-HXUWFJFHSA-N 2 1 357.498 2.902 20 30 FFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCC1 ZINC000303792924 1012431400 /nfs/dbraw/zinc/43/14/00/1012431400.db2.gz YVDXDVIGKCXWJN-HXUWFJFHSA-N 2 1 366.509 2.979 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001052395559 1017396711 /nfs/dbraw/zinc/39/67/11/1017396711.db2.gz UMHOXXPFAJUESQ-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001052395559 1017396723 /nfs/dbraw/zinc/39/67/23/1017396723.db2.gz UMHOXXPFAJUESQ-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001052395559 1017396732 /nfs/dbraw/zinc/39/67/32/1017396732.db2.gz UMHOXXPFAJUESQ-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000679694088 1017566420 /nfs/dbraw/zinc/56/64/20/1017566420.db2.gz KANXLGIEYFFTRX-UHFFFAOYSA-N 2 1 371.529 2.830 20 30 FFEDMP C=CC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001048627221 1020379293 /nfs/dbraw/zinc/37/92/93/1020379293.db2.gz HFZUKYZXYZKDPO-LEWJYISDSA-N 2 1 370.541 2.791 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC1 ZINC001096105996 1020689834 /nfs/dbraw/zinc/68/98/34/1020689834.db2.gz HVBINTNWCRMYRC-MNEFBYGVSA-N 2 1 372.538 2.573 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC1 ZINC001096105996 1020689839 /nfs/dbraw/zinc/68/98/39/1020689839.db2.gz HVBINTNWCRMYRC-MNEFBYGVSA-N 2 1 372.538 2.573 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001096105975 1020690093 /nfs/dbraw/zinc/69/00/93/1020690093.db2.gz HBOBIIPHWWPWPJ-HKBOAZHASA-N 2 1 366.509 2.512 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001096105975 1020690096 /nfs/dbraw/zinc/69/00/96/1020690096.db2.gz HBOBIIPHWWPWPJ-HKBOAZHASA-N 2 1 366.509 2.512 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218037401 1032965093 /nfs/dbraw/zinc/96/50/93/1032965093.db2.gz LSKLJEXVSMOLFJ-GBESFXJTSA-N 2 1 371.541 2.548 20 30 FFEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001016841387 1022113967 /nfs/dbraw/zinc/11/39/67/1022113967.db2.gz XZCSPVKQIJYNKQ-QHAWAJNXSA-N 2 1 367.537 2.879 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001017134752 1022167649 /nfs/dbraw/zinc/16/76/49/1022167649.db2.gz YOAFTGPABFDIFU-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001017134752 1022167653 /nfs/dbraw/zinc/16/76/53/1022167653.db2.gz YOAFTGPABFDIFU-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001017134752 1022167660 /nfs/dbraw/zinc/16/76/60/1022167660.db2.gz YOAFTGPABFDIFU-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295702 1022247156 /nfs/dbraw/zinc/24/71/56/1022247156.db2.gz PIAOBTZJPIZUEG-ARFHVFGLSA-N 2 1 361.452 2.663 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000948384609 1023245273 /nfs/dbraw/zinc/24/52/73/1023245273.db2.gz DEZDICDHDUZKOE-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC000948384609 1023245282 /nfs/dbraw/zinc/24/52/82/1023245282.db2.gz DEZDICDHDUZKOE-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC000948384609 1023245292 /nfs/dbraw/zinc/24/52/92/1023245292.db2.gz DEZDICDHDUZKOE-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC000948386054 1023247259 /nfs/dbraw/zinc/24/72/59/1023247259.db2.gz SGYTYHGURPESPZ-BAGYTPMASA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC000948386054 1023247264 /nfs/dbraw/zinc/24/72/64/1023247264.db2.gz SGYTYHGURPESPZ-BAGYTPMASA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC000948386054 1023247268 /nfs/dbraw/zinc/24/72/68/1023247268.db2.gz SGYTYHGURPESPZ-BAGYTPMASA-N 2 1 367.537 2.691 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c(OC)c1 ZINC000754742064 1023510778 /nfs/dbraw/zinc/51/07/78/1023510778.db2.gz WFMABJBGNLQIMH-GBESFXJTSA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001276301639 1024033607 /nfs/dbraw/zinc/03/36/07/1024033607.db2.gz BWJQDBBCNUOUAE-PWRODBHTSA-N 2 1 353.510 2.760 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC001276303416 1024934527 /nfs/dbraw/zinc/93/45/27/1024934527.db2.gz WLHOHDTZVREAFA-IFMALSPDSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@]2(CCC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001276303416 1024934531 /nfs/dbraw/zinc/93/45/31/1024934531.db2.gz WLHOHDTZVREAFA-IFMALSPDSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@]2(CCC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001276303416 1024934535 /nfs/dbraw/zinc/93/45/35/1024934535.db2.gz WLHOHDTZVREAFA-IFMALSPDSA-N 2 1 353.510 2.761 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223040034 1033259255 /nfs/dbraw/zinc/25/92/55/1033259255.db2.gz RXOCHJXPZOXDBF-AEFFLSMTSA-N 2 1 362.905 2.583 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223040034 1033259266 /nfs/dbraw/zinc/25/92/66/1033259266.db2.gz RXOCHJXPZOXDBF-AEFFLSMTSA-N 2 1 362.905 2.583 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102103245 1025427920 /nfs/dbraw/zinc/42/79/20/1025427920.db2.gz KQYRHIKAJTYUTC-HUUCEWRRSA-N 2 1 362.543 2.534 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102103245 1025427924 /nfs/dbraw/zinc/42/79/24/1025427924.db2.gz KQYRHIKAJTYUTC-HUUCEWRRSA-N 2 1 362.543 2.534 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102103245 1025427931 /nfs/dbraw/zinc/42/79/31/1025427931.db2.gz KQYRHIKAJTYUTC-HUUCEWRRSA-N 2 1 362.543 2.534 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108680 1025437153 /nfs/dbraw/zinc/43/71/53/1025437153.db2.gz XIESGOYYYVZQOU-GUDVDZBRSA-N 2 1 358.530 2.947 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001102140951 1025474519 /nfs/dbraw/zinc/47/45/19/1025474519.db2.gz PCGSUKSBSJDKRA-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273735 1025680404 /nfs/dbraw/zinc/68/04/04/1025680404.db2.gz NZBFEDAFZUXDIX-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273735 1025680408 /nfs/dbraw/zinc/68/04/08/1025680408.db2.gz NZBFEDAFZUXDIX-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273735 1025680416 /nfs/dbraw/zinc/68/04/16/1025680416.db2.gz NZBFEDAFZUXDIX-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599274 1026396803 /nfs/dbraw/zinc/39/68/03/1026396803.db2.gz WJBTVGCPSLIHCU-IFMALSPDSA-N 2 1 367.537 2.598 20 30 FFEDMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000719927853 1026702836 /nfs/dbraw/zinc/70/28/36/1026702836.db2.gz VAYQKNBHRKPASL-UXHICEINSA-N 2 1 356.514 2.911 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001160295873 1027662853 /nfs/dbraw/zinc/66/28/53/1027662853.db2.gz TWVMVISPBZTGCQ-SFTDATJTSA-N 2 1 357.473 2.701 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001160295873 1027662859 /nfs/dbraw/zinc/66/28/59/1027662859.db2.gz TWVMVISPBZTGCQ-SFTDATJTSA-N 2 1 357.473 2.701 20 30 FFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001160903742 1027919498 /nfs/dbraw/zinc/91/94/98/1027919498.db2.gz ASVCEKIPNDAFFA-LEWJYISDSA-N 2 1 373.541 2.982 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153713 1030110922 /nfs/dbraw/zinc/11/09/22/1030110922.db2.gz ULTBEKUDLUHIMY-CAOSSQGBSA-N 2 1 361.452 2.662 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C(F)(F)F ZINC001112173884 1030148657 /nfs/dbraw/zinc/14/86/57/1030148657.db2.gz SNCNNZHNUQXBDP-ZIAGYGMSSA-N 2 1 358.408 2.562 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213513 1030255048 /nfs/dbraw/zinc/25/50/48/1030255048.db2.gz MYIQSBRYAUEKFX-OAGGEKHMSA-N 2 1 361.452 2.806 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1F ZINC001205629900 1031885060 /nfs/dbraw/zinc/88/50/60/1031885060.db2.gz IMGNZKILPICKLO-AZUAARDMSA-N 2 1 370.472 2.881 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223904403 1033640068 /nfs/dbraw/zinc/64/00/68/1033640068.db2.gz RXXHEQLYIDUDKH-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223904403 1033640073 /nfs/dbraw/zinc/64/00/73/1033640073.db2.gz RXXHEQLYIDUDKH-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904403 1033640081 /nfs/dbraw/zinc/64/00/81/1033640081.db2.gz RXXHEQLYIDUDKH-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904403 1033640090 /nfs/dbraw/zinc/64/00/90/1033640090.db2.gz RXXHEQLYIDUDKH-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153727 1033744180 /nfs/dbraw/zinc/74/41/80/1033744180.db2.gz WBPBEYZVFOARFY-MSOLQXFVSA-N 2 1 353.938 2.928 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153727 1033744184 /nfs/dbraw/zinc/74/41/84/1033744184.db2.gz WBPBEYZVFOARFY-MSOLQXFVSA-N 2 1 353.938 2.928 20 30 FFEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225546083 1034299751 /nfs/dbraw/zinc/29/97/51/1034299751.db2.gz LMHRVXXKRIXDLI-LJQANCHMSA-N 2 1 350.422 2.710 20 30 FFEDMP C=CCc1cccc(CN2CCc3onc(Cn4ccnc4)c3C2)c1O ZINC001138626786 1034478203 /nfs/dbraw/zinc/47/82/03/1034478203.db2.gz ONYBDEPYDNHBEN-UHFFFAOYSA-N 2 1 350.422 2.912 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226333538 1034633332 /nfs/dbraw/zinc/63/33/32/1034633332.db2.gz LERFXJZILPIMPO-RCCFBDPRSA-N 2 1 362.518 2.616 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001139771445 1035226573 /nfs/dbraw/zinc/22/65/73/1035226573.db2.gz CMROBVIBWKZECJ-UHFFFAOYSA-N 2 1 351.498 2.952 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(C#N)cc45)C[C@H]3C2)cn1 ZINC001140114374 1035346063 /nfs/dbraw/zinc/34/60/63/1035346063.db2.gz WAMJTMOUPGGIRE-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(C#N)cc45)C[C@H]3C2)cn1 ZINC001140114374 1035346067 /nfs/dbraw/zinc/34/60/67/1035346067.db2.gz WAMJTMOUPGGIRE-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C[C@H]3C2)cn1 ZINC001140114374 1035346070 /nfs/dbraw/zinc/34/60/70/1035346070.db2.gz WAMJTMOUPGGIRE-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5ccc(C#N)cc45)C[C@H]3C2)cn1 ZINC001140114374 1035346074 /nfs/dbraw/zinc/34/60/74/1035346074.db2.gz WAMJTMOUPGGIRE-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(C#N)s2)CC1 ZINC001232843212 1036101170 /nfs/dbraw/zinc/10/11/70/1036101170.db2.gz STXYQHIGNNCLRZ-RTBURBONSA-N 2 1 372.538 2.527 20 30 FFEDMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001236066068 1037912558 /nfs/dbraw/zinc/91/25/58/1037912558.db2.gz JZQPQQBVWJXLQL-HXUWFJFHSA-N 2 1 368.502 2.860 20 30 FFEDMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001236066067 1037912979 /nfs/dbraw/zinc/91/29/79/1037912979.db2.gz JZQPQQBVWJXLQL-FQEVSTJZSA-N 2 1 368.502 2.860 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001208854595 1038557223 /nfs/dbraw/zinc/55/72/23/1038557223.db2.gz QZKCGFABBNZGAA-HXUWFJFHSA-N 2 1 369.509 2.840 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001208854595 1038557230 /nfs/dbraw/zinc/55/72/30/1038557230.db2.gz QZKCGFABBNZGAA-HXUWFJFHSA-N 2 1 369.509 2.840 20 30 FFEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858538 1038636733 /nfs/dbraw/zinc/63/67/33/1038636733.db2.gz HZLXCGLPYSGEAB-NHCUHLMSSA-N 2 1 357.498 2.877 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCC(=O)OCCCC)CC1 ZINC001257403065 1038788669 /nfs/dbraw/zinc/78/86/69/1038788669.db2.gz FVOHECCNTIUWGJ-FQEVSTJZSA-N 2 1 365.562 2.790 20 30 FFEDMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001209562208 1038996593 /nfs/dbraw/zinc/99/65/93/1038996593.db2.gz QSBGSKQLABYJGO-IFMALSPDSA-N 2 1 369.553 2.987 20 30 FFEDMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001209562208 1038996611 /nfs/dbraw/zinc/99/66/11/1038996611.db2.gz QSBGSKQLABYJGO-IFMALSPDSA-N 2 1 369.553 2.987 20 30 FFEDMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001209562208 1038996619 /nfs/dbraw/zinc/99/66/19/1038996619.db2.gz QSBGSKQLABYJGO-IFMALSPDSA-N 2 1 369.553 2.987 20 30 FFEDMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001209562208 1038996633 /nfs/dbraw/zinc/99/66/33/1038996633.db2.gz QSBGSKQLABYJGO-IFMALSPDSA-N 2 1 369.553 2.987 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246304303 1039305659 /nfs/dbraw/zinc/30/56/59/1039305659.db2.gz MHLMEPHMUPDCIG-QAPCUYQASA-N 2 1 352.425 2.639 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001247000164 1039572349 /nfs/dbraw/zinc/57/23/49/1039572349.db2.gz HFVMRKDLNRCALJ-HSALFYBXSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001247000164 1039572357 /nfs/dbraw/zinc/57/23/57/1039572357.db2.gz HFVMRKDLNRCALJ-HSALFYBXSA-N 2 1 357.498 2.726 20 30 FFEDMP N#Cc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278680570 1039684313 /nfs/dbraw/zinc/68/43/13/1039684313.db2.gz AORFLHUHLPCICX-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3onc(C)c3c2)CC1 ZINC001248713052 1040377586 /nfs/dbraw/zinc/37/75/86/1040377586.db2.gz XEPAKOOOXXBEHH-UHFFFAOYSA-N 2 1 354.498 2.928 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434612 1040547785 /nfs/dbraw/zinc/54/77/85/1040547785.db2.gz ITRAFYLLUUCAML-GUDVDZBRSA-N 2 1 355.567 2.893 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213616142 1040723764 /nfs/dbraw/zinc/72/37/64/1040723764.db2.gz QCFQXGKIMGYCOR-RTBURBONSA-N 2 1 353.551 2.504 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213616142 1040723769 /nfs/dbraw/zinc/72/37/69/1040723769.db2.gz QCFQXGKIMGYCOR-RTBURBONSA-N 2 1 353.551 2.504 20 30 FFEDMP CSc1nc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)ccc1C#N ZINC001278843246 1041166286 /nfs/dbraw/zinc/16/62/86/1041166286.db2.gz VMFQGEHGZMEVIS-UXHICEINSA-N 2 1 373.570 2.761 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001214855988 1041595619 /nfs/dbraw/zinc/59/56/19/1041595619.db2.gz TWKAHMDNLVBJIH-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001263905040 1042522076 /nfs/dbraw/zinc/52/20/76/1042522076.db2.gz KNEQMYYLHCAGHU-HBMCJLEFSA-N 2 1 359.558 2.929 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001263905040 1042522079 /nfs/dbraw/zinc/52/20/79/1042522079.db2.gz KNEQMYYLHCAGHU-HBMCJLEFSA-N 2 1 359.558 2.929 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001264592888 1042731064 /nfs/dbraw/zinc/73/10/64/1042731064.db2.gz WHVIJRTUFNYTBV-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001264592888 1042731067 /nfs/dbraw/zinc/73/10/67/1042731067.db2.gz WHVIJRTUFNYTBV-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001264592888 1042731072 /nfs/dbraw/zinc/73/10/72/1042731072.db2.gz WHVIJRTUFNYTBV-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001264592888 1042731077 /nfs/dbraw/zinc/73/10/77/1042731077.db2.gz WHVIJRTUFNYTBV-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnsc4)C[C@H]3CC2)cc1C#N ZINC001279564306 1043265414 /nfs/dbraw/zinc/26/54/14/1043265414.db2.gz MBSDCHYMEIWEEN-HDICACEKSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnsc4)C[C@H]3CC2)cc1C#N ZINC001279564306 1043265415 /nfs/dbraw/zinc/26/54/15/1043265415.db2.gz MBSDCHYMEIWEEN-HDICACEKSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnsc4)C[C@H]3CC2)cc1C#N ZINC001279564306 1043265420 /nfs/dbraw/zinc/26/54/20/1043265420.db2.gz MBSDCHYMEIWEEN-HDICACEKSA-N 2 1 355.511 2.697 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001279761926 1043602726 /nfs/dbraw/zinc/60/27/26/1043602726.db2.gz CLBZVXCZTMVSTN-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001279761926 1043602732 /nfs/dbraw/zinc/60/27/32/1043602732.db2.gz CLBZVXCZTMVSTN-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582531 1070938467 /nfs/dbraw/zinc/93/84/67/1070938467.db2.gz PMMWRFGTJZKUNH-OAQYLSRUSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582531 1070938469 /nfs/dbraw/zinc/93/84/69/1070938469.db2.gz PMMWRFGTJZKUNH-OAQYLSRUSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582531 1070938474 /nfs/dbraw/zinc/93/84/74/1070938474.db2.gz PMMWRFGTJZKUNH-OAQYLSRUSA-N 2 1 368.525 2.715 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582531 1070938480 /nfs/dbraw/zinc/93/84/80/1070938480.db2.gz PMMWRFGTJZKUNH-OAQYLSRUSA-N 2 1 368.525 2.715 20 30 FFEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001330054800 1049022151 /nfs/dbraw/zinc/02/21/51/1049022151.db2.gz RAYMPRWQVOJXAZ-WMQCIHAUSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C[C@@H](C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC001347045068 1053565653 /nfs/dbraw/zinc/56/56/53/1053565653.db2.gz WICIDKAMKYWTHB-OAQYLSRUSA-N 2 1 355.526 2.975 20 30 FFEDMP C=C[C@@H](C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC001347045068 1053565662 /nfs/dbraw/zinc/56/56/62/1053565662.db2.gz WICIDKAMKYWTHB-OAQYLSRUSA-N 2 1 355.526 2.975 20 30 FFEDMP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001357369080 1055880727 /nfs/dbraw/zinc/88/07/27/1055880727.db2.gz UJXZFBCGVLVDGD-GOSISDBHSA-N 2 1 351.441 2.729 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000848533543 1060235164 /nfs/dbraw/zinc/23/51/64/1060235164.db2.gz IVGRMYAVICQFNU-IBGZPJMESA-N 2 1 360.498 2.775 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC001464390932 1062586369 /nfs/dbraw/zinc/58/63/69/1062586369.db2.gz YLGHCTJVBFUTMF-GOSISDBHSA-N 2 1 363.465 2.544 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479625801 1062639822 /nfs/dbraw/zinc/63/98/22/1062639822.db2.gz OCAFTEWFPUDUKL-WOJBJXKFSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479625801 1062639830 /nfs/dbraw/zinc/63/98/30/1062639830.db2.gz OCAFTEWFPUDUKL-WOJBJXKFSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001564847988 1076664432 /nfs/dbraw/zinc/66/44/32/1076664432.db2.gz XSMXEGWARPYMLX-OAQYLSRUSA-N 2 1 370.541 2.686 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001564847988 1076664433 /nfs/dbraw/zinc/66/44/33/1076664433.db2.gz XSMXEGWARPYMLX-OAQYLSRUSA-N 2 1 370.541 2.686 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001564847988 1076664435 /nfs/dbraw/zinc/66/44/35/1076664435.db2.gz XSMXEGWARPYMLX-OAQYLSRUSA-N 2 1 370.541 2.686 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001565897942 1076787949 /nfs/dbraw/zinc/78/79/49/1076787949.db2.gz DYHMHTXMHSUSNJ-BDTNDASRSA-N 2 1 367.537 2.787 20 30 FFEDMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001565986998 1076831190 /nfs/dbraw/zinc/83/11/90/1076831190.db2.gz XFXNZKKXXWJAOZ-DBXWQHBBSA-N 2 1 365.537 2.829 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001566014946 1076848607 /nfs/dbraw/zinc/84/86/07/1076848607.db2.gz NXGQHLGNKOAQPK-RBUKOAKNSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001568085075 1077070557 /nfs/dbraw/zinc/07/05/57/1077070557.db2.gz NSBWLBAQPBWQBN-DYESRHJHSA-N 2 1 368.525 2.617 20 30 FFEDMP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589273215 1080457756 /nfs/dbraw/zinc/45/77/56/1080457756.db2.gz YVSLMAPUIJDNJT-UHFFFAOYSA-N 2 1 367.501 2.751 20 30 FFEDMP Cc1sc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000366878952 512230651 /nfs/dbraw/zinc/23/06/51/512230651.db2.gz GCLWXOCWUVYINH-UHFFFAOYSA-N 2 1 360.527 2.983 20 30 FFEDMP Cc1sc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000366878952 512230656 /nfs/dbraw/zinc/23/06/56/512230656.db2.gz GCLWXOCWUVYINH-UHFFFAOYSA-N 2 1 360.527 2.983 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074132502 507989826 /nfs/dbraw/zinc/98/98/26/507989826.db2.gz FDZWHVNGTUIQOR-FQEVSTJZSA-N 2 1 356.514 2.553 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000153008300 508539296 /nfs/dbraw/zinc/53/92/96/508539296.db2.gz BMILYQLJSKQFTM-DENIHFKCSA-N 2 1 357.542 2.906 20 30 FFEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155927852 509094039 /nfs/dbraw/zinc/09/40/39/509094039.db2.gz FYMXBVMMVHBICX-PMACEKPBSA-N 2 1 370.541 2.818 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598445 509604069 /nfs/dbraw/zinc/60/40/69/509604069.db2.gz NVMIVLJRHPFZRB-XLIONFOSSA-N 2 1 356.514 2.599 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000171725130 510333795 /nfs/dbraw/zinc/33/37/95/510333795.db2.gz BXXGRAKECLMCMD-UHFFFAOYSA-N 2 1 371.460 2.769 20 30 FFEDMP Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000328602911 511890492 /nfs/dbraw/zinc/89/04/92/511890492.db2.gz HIPMSQMGPJLPBT-SJLPKXTDSA-N 2 1 359.518 2.921 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274788839 511942232 /nfs/dbraw/zinc/94/22/32/511942232.db2.gz BOLMWCYEESOLGH-QFUCXCTJSA-N 2 1 356.514 2.541 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274788839 511942239 /nfs/dbraw/zinc/94/22/39/511942239.db2.gz BOLMWCYEESOLGH-QFUCXCTJSA-N 2 1 356.514 2.541 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)CC1 ZINC000374074151 512650110 /nfs/dbraw/zinc/65/01/10/512650110.db2.gz IJKLPZUKNQNJHP-UHFFFAOYSA-N 2 1 351.454 2.916 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCCC#N ZINC000370265013 512848777 /nfs/dbraw/zinc/84/87/77/512848777.db2.gz MIWDMHWOSYLAOA-UHFFFAOYSA-N 2 1 363.550 2.518 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837377 515081857 /nfs/dbraw/zinc/08/18/57/515081857.db2.gz KYCRMABHMBKFHP-SFTDATJTSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000498837377 515081862 /nfs/dbraw/zinc/08/18/62/515081862.db2.gz KYCRMABHMBKFHP-SFTDATJTSA-N 2 1 371.525 2.742 20 30 FFEDMP C=C(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000481611111 515403664 /nfs/dbraw/zinc/40/36/64/515403664.db2.gz CSMGPMWWOZOOHD-HXUWFJFHSA-N 2 1 363.452 2.915 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437650 519964237 /nfs/dbraw/zinc/96/42/37/519964237.db2.gz KIIOLCKLCQCJLB-IRLDBZIGSA-N 2 1 368.525 2.912 20 30 FFEDMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443776 519969523 /nfs/dbraw/zinc/96/95/23/519969523.db2.gz UPPZZPKQXRUGMM-HOJAQTOUSA-N 2 1 356.514 2.815 20 30 FFEDMP CCN1CCC([N@@H+]2CCCN(C(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597791230 520239528 /nfs/dbraw/zinc/23/95/28/520239528.db2.gz UCIRBFBTUDJLHM-UHFFFAOYSA-N 2 1 360.546 2.869 20 30 FFEDMP CCN1CCC([N@H+]2CCCN(C(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597791230 520239534 /nfs/dbraw/zinc/23/95/34/520239534.db2.gz UCIRBFBTUDJLHM-UHFFFAOYSA-N 2 1 360.546 2.869 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259366 520377018 /nfs/dbraw/zinc/37/70/18/520377018.db2.gz LHFSOTYBTTXBGJ-VQTJNVASSA-N 2 1 368.525 2.816 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1 ZINC000600717517 520419364 /nfs/dbraw/zinc/41/93/64/520419364.db2.gz BNPVZPAUKLQUJP-FQEVSTJZSA-N 2 1 353.466 2.539 20 30 FFEDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000593724251 521176875 /nfs/dbraw/zinc/17/68/75/521176875.db2.gz BMUXBGPAEMBBPP-FKBYEOEOSA-N 3 1 352.526 2.985 20 30 FFEDMP CN1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000593724251 521176881 /nfs/dbraw/zinc/17/68/81/521176881.db2.gz BMUXBGPAEMBBPP-FKBYEOEOSA-N 3 1 352.526 2.985 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)Cc1ccon1 ZINC000261798374 729654086 /nfs/dbraw/zinc/65/40/86/729654086.db2.gz REWSQYASENUFHY-WMLDXEAASA-N 2 1 361.515 2.826 20 30 FFEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303889911 729735608 /nfs/dbraw/zinc/73/56/08/729735608.db2.gz MHGZILXZPNFCIL-GFCCVEGCSA-N 2 1 361.317 2.927 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CSc1ccccc1OC ZINC000303975270 729736141 /nfs/dbraw/zinc/73/61/41/729736141.db2.gz IZZKZAWKOVNLOQ-CVEARBPZSA-N 2 1 364.559 2.812 20 30 FFEDMP C[C@@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000304760504 729737153 /nfs/dbraw/zinc/73/71/53/729737153.db2.gz SMMWJLFPMSFZFH-STQMWFEESA-N 2 1 373.328 2.927 20 30 FFEDMP COCC[N@H+]1CCC[C@@H]1CNC(NCCc1cccs1)=[NH+]C(C)(C)C ZINC000912505799 737314962 /nfs/dbraw/zinc/31/49/62/737314962.db2.gz GDPFZBFZMWBMOG-MRXNPFEDSA-N 2 1 366.575 2.735 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000876890488 732292359 /nfs/dbraw/zinc/29/23/59/732292359.db2.gz AJKOIYSZUHVYFJ-BZSNNMDCSA-N 2 1 363.889 2.559 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C(C)C ZINC000662682299 732345956 /nfs/dbraw/zinc/34/59/56/732345956.db2.gz QQUDBKRXSPFCRT-ROUUACIJSA-N 2 1 351.441 2.779 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793818 970834594 /nfs/dbraw/zinc/83/45/94/970834594.db2.gz JYFOFWFIKCIGKO-RHSMWYFYSA-N 2 1 352.910 2.798 20 30 FFEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611640 962775111 /nfs/dbraw/zinc/77/51/11/962775111.db2.gz RKXZHZVIJFPXER-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611640 962775129 /nfs/dbraw/zinc/77/51/29/962775129.db2.gz RKXZHZVIJFPXER-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611640 962775153 /nfs/dbraw/zinc/77/51/53/962775153.db2.gz RKXZHZVIJFPXER-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266714424 963738568 /nfs/dbraw/zinc/73/85/68/963738568.db2.gz IPXPQNSHRPHJNR-URZNZNTCSA-N 2 1 355.526 2.923 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001269737474 964279589 /nfs/dbraw/zinc/27/95/89/964279589.db2.gz KVWSMFDTMAFTJN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001087173579 965067824 /nfs/dbraw/zinc/06/78/24/965067824.db2.gz GSYLDFGTGYTSTI-ZBFHGGJFSA-N 2 1 371.510 2.692 20 30 FFEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CCCC1 ZINC001270442939 965097211 /nfs/dbraw/zinc/09/72/11/965097211.db2.gz PIBWIKVSCKJWFV-HKBOAZHASA-N 2 1 355.526 2.782 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087469472 965297673 /nfs/dbraw/zinc/29/76/73/965297673.db2.gz DRQMNMJXUZXSMT-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087469472 965297681 /nfs/dbraw/zinc/29/76/81/965297681.db2.gz DRQMNMJXUZXSMT-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087469472 965297688 /nfs/dbraw/zinc/29/76/88/965297688.db2.gz DRQMNMJXUZXSMT-DFQSSKMNSA-N 2 1 359.489 2.628 20 30 FFEDMP CC[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262011378 965309186 /nfs/dbraw/zinc/30/91/86/965309186.db2.gz WQLMNAAEKOMZFN-CXAGYDPISA-N 2 1 374.920 2.526 20 30 FFEDMP C=C(C)C(=O)NCCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167666967 967401846 /nfs/dbraw/zinc/40/18/46/967401846.db2.gz DKEYTRUWQCKBCG-KRWDZBQOSA-N 2 1 355.486 2.845 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001023993963 968405474 /nfs/dbraw/zinc/40/54/74/968405474.db2.gz VFEDBWKZPXQWSW-QHAWAJNXSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087735679 968795065 /nfs/dbraw/zinc/79/50/65/968795065.db2.gz ZEXBRDGFBLACJE-IVAOSVALSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087735679 968795070 /nfs/dbraw/zinc/79/50/70/968795070.db2.gz ZEXBRDGFBLACJE-IVAOSVALSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087735679 968795075 /nfs/dbraw/zinc/79/50/75/968795075.db2.gz ZEXBRDGFBLACJE-IVAOSVALSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024665314 969245048 /nfs/dbraw/zinc/24/50/48/969245048.db2.gz CNHSDGQYBCUITO-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024665314 969245056 /nfs/dbraw/zinc/24/50/56/969245056.db2.gz CNHSDGQYBCUITO-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024665314 969245073 /nfs/dbraw/zinc/24/50/73/969245073.db2.gz CNHSDGQYBCUITO-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104594655 969897055 /nfs/dbraw/zinc/89/70/55/969897055.db2.gz BYODAMFRQWSIKA-QRQLOZEOSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001267691360 970542788 /nfs/dbraw/zinc/54/27/88/970542788.db2.gz WQRMUOWGIBSUFO-TYPHKJRUSA-N 2 1 355.526 2.688 20 30 FFEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267691360 970542796 /nfs/dbraw/zinc/54/27/96/970542796.db2.gz WQRMUOWGIBSUFO-TYPHKJRUSA-N 2 1 355.526 2.688 20 30 FFEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267691360 970542806 /nfs/dbraw/zinc/54/28/06/970542806.db2.gz WQRMUOWGIBSUFO-TYPHKJRUSA-N 2 1 355.526 2.688 20 30 FFEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000305796875 974253567 /nfs/dbraw/zinc/25/35/67/974253567.db2.gz AXHRJOZYDNFPHG-YLJYHZDGSA-N 2 1 360.546 2.872 20 30 FFEDMP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000262557374 974295929 /nfs/dbraw/zinc/29/59/29/974295929.db2.gz VHDQVEQLDRGZRU-JXFKEZNVSA-N 2 1 364.493 2.861 20 30 FFEDMP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000262557374 974295937 /nfs/dbraw/zinc/29/59/37/974295937.db2.gz VHDQVEQLDRGZRU-JXFKEZNVSA-N 2 1 364.493 2.861 20 30 FFEDMP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCC[NH2+]1 ZINC000662686541 975824315 /nfs/dbraw/zinc/82/43/15/975824315.db2.gz OTHAHNIZHQBAMB-FQEVSTJZSA-N 2 1 363.452 2.744 20 30 FFEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000178582377 977384321 /nfs/dbraw/zinc/38/43/21/977384321.db2.gz FKVMOATZZHBCQF-UHFFFAOYSA-N 2 1 369.391 2.975 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001088317748 979140324 /nfs/dbraw/zinc/14/03/24/979140324.db2.gz NKGJVQOTDCKDPT-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001168323065 982901938 /nfs/dbraw/zinc/90/19/38/982901938.db2.gz OVTZFXVPYKVABG-OBFZPWGMSA-N 2 1 366.509 2.860 20 30 FFEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001107470490 984576133 /nfs/dbraw/zinc/57/61/33/984576133.db2.gz VUEUGLZGXHVGAN-TZIWHRDSSA-N 2 1 368.481 2.511 20 30 FFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447860 985833239 /nfs/dbraw/zinc/83/32/39/985833239.db2.gz ZXXRVWWPRHZNJD-GOSISDBHSA-N 2 1 352.486 2.746 20 30 FFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447860 985833250 /nfs/dbraw/zinc/83/32/50/985833250.db2.gz ZXXRVWWPRHZNJD-GOSISDBHSA-N 2 1 352.486 2.746 20 30 FFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447860 985833265 /nfs/dbraw/zinc/83/32/65/985833265.db2.gz ZXXRVWWPRHZNJD-GOSISDBHSA-N 2 1 352.486 2.746 20 30 FFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447860 985833270 /nfs/dbraw/zinc/83/32/70/985833270.db2.gz ZXXRVWWPRHZNJD-GOSISDBHSA-N 2 1 352.486 2.746 20 30 FFEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000965211363 1015290396 /nfs/dbraw/zinc/29/03/96/1015290396.db2.gz PCGKHJKDPZZRLA-QBEJFWGUSA-N 2 1 367.537 2.925 20 30 FFEDMP C#CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000921162770 990992623 /nfs/dbraw/zinc/99/26/23/990992623.db2.gz XBGKOZSGBCUTAO-LJQANCHMSA-N 2 1 370.541 2.636 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341500 991082023 /nfs/dbraw/zinc/08/20/23/991082023.db2.gz LIJQKRHXHBXOJP-ZWKOTPCHSA-N 2 1 368.506 2.692 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000923341500 991082031 /nfs/dbraw/zinc/08/20/31/991082031.db2.gz LIJQKRHXHBXOJP-ZWKOTPCHSA-N 2 1 368.506 2.692 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1F ZINC001079298775 991986696 /nfs/dbraw/zinc/98/66/96/991986696.db2.gz GGHVKXGMNMADHE-UHOSZYNNSA-N 2 1 368.456 2.670 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001107036690 993286326 /nfs/dbraw/zinc/28/63/26/993286326.db2.gz PKHUXCMJOIYOTR-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001081137768 993694855 /nfs/dbraw/zinc/69/48/55/993694855.db2.gz OLLLLQSSQPLKNR-PWRODBHTSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001131578417 994416962 /nfs/dbraw/zinc/41/69/62/994416962.db2.gz WTMUCMOAHBXQLY-CTNGQTDRSA-N 2 1 365.562 2.670 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000730105153 996855440 /nfs/dbraw/zinc/85/54/40/996855440.db2.gz BOTBLALWWRHHSQ-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000730105153 996855452 /nfs/dbraw/zinc/85/54/52/996855452.db2.gz BOTBLALWWRHHSQ-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000730105153 996855462 /nfs/dbraw/zinc/85/54/62/996855462.db2.gz BOTBLALWWRHHSQ-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000730105153 996855470 /nfs/dbraw/zinc/85/54/70/996855470.db2.gz BOTBLALWWRHHSQ-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001085203512 999157160 /nfs/dbraw/zinc/15/71/60/999157160.db2.gz NOMWXOYVEBUCFZ-DOIPELPJSA-N 2 1 368.525 2.806 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC001085229678 999211356 /nfs/dbraw/zinc/21/13/56/999211356.db2.gz DYURLRJLNSNJOO-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC001085229678 999211379 /nfs/dbraw/zinc/21/13/79/999211379.db2.gz DYURLRJLNSNJOO-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(F)c1 ZINC001085229613 999211511 /nfs/dbraw/zinc/21/15/11/999211511.db2.gz BFYMXCADMQVRHL-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(F)c1 ZINC001085229613 999211540 /nfs/dbraw/zinc/21/15/40/999211540.db2.gz BFYMXCADMQVRHL-NJYVYQBISA-N 2 1 371.500 2.749 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085332452 999378440 /nfs/dbraw/zinc/37/84/40/999378440.db2.gz YWCQJEHWUAFXBM-ZTFGCOKTSA-N 2 1 360.527 2.621 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085332450 999378563 /nfs/dbraw/zinc/37/85/63/999378563.db2.gz YUJWPVLAVOQPHV-PWIZWCRZSA-N 2 1 354.498 2.560 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001109714648 1000896451 /nfs/dbraw/zinc/89/64/51/1000896451.db2.gz RLDYGWYKYIBAPB-MLNNCEHLSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001109714648 1000896457 /nfs/dbraw/zinc/89/64/57/1000896457.db2.gz RLDYGWYKYIBAPB-MLNNCEHLSA-N 2 1 367.537 2.880 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071155 1002368438 /nfs/dbraw/zinc/36/84/38/1002368438.db2.gz IREGMFUMCLVJFK-LMMKCTJWSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071155 1002368450 /nfs/dbraw/zinc/36/84/50/1002368450.db2.gz IREGMFUMCLVJFK-LMMKCTJWSA-N 2 1 353.938 2.784 20 30 FFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596619 1002631026 /nfs/dbraw/zinc/63/10/26/1002631026.db2.gz KYHGQEBWJVTDRS-HBMCJLEFSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596619 1002631032 /nfs/dbraw/zinc/63/10/32/1002631032.db2.gz KYHGQEBWJVTDRS-HBMCJLEFSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596619 1002631037 /nfs/dbraw/zinc/63/10/37/1002631037.db2.gz KYHGQEBWJVTDRS-HBMCJLEFSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OC ZINC001201417378 1005211788 /nfs/dbraw/zinc/21/17/88/1005211788.db2.gz WTSQQXIGZUZYSC-RTBURBONSA-N 2 1 360.498 2.727 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001489291812 1005450646 /nfs/dbraw/zinc/45/06/46/1005450646.db2.gz RRSVMPZBYHOPMS-APWZRJJASA-N 2 1 356.514 2.615 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489291812 1005450647 /nfs/dbraw/zinc/45/06/47/1005450647.db2.gz RRSVMPZBYHOPMS-APWZRJJASA-N 2 1 356.514 2.615 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489291812 1005450648 /nfs/dbraw/zinc/45/06/48/1005450648.db2.gz RRSVMPZBYHOPMS-APWZRJJASA-N 2 1 356.514 2.615 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357709 1005810793 /nfs/dbraw/zinc/81/07/93/1005810793.db2.gz SLDBPSQKZHRIOW-LAUBAEHRSA-N 2 1 365.477 2.834 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110684278 1006829171 /nfs/dbraw/zinc/82/91/71/1006829171.db2.gz CZIGATBUWFQBFS-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110684278 1006829177 /nfs/dbraw/zinc/82/91/77/1006829177.db2.gz CZIGATBUWFQBFS-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21)CC(C)(C)C ZINC001189134955 1006921498 /nfs/dbraw/zinc/92/14/98/1006921498.db2.gz HYKDREPRDZBQCP-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)CC(C)(C)C ZINC001189134955 1006921507 /nfs/dbraw/zinc/92/15/07/1006921507.db2.gz HYKDREPRDZBQCP-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884378317 1007400832 /nfs/dbraw/zinc/40/08/32/1007400832.db2.gz OSOPQSAFHVSNAZ-QIYGCADZSA-N 2 1 372.557 2.629 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000856170267 1007708654 /nfs/dbraw/zinc/70/86/54/1007708654.db2.gz XBAOKYWXPJPQAJ-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856170267 1007708662 /nfs/dbraw/zinc/70/86/62/1007708662.db2.gz XBAOKYWXPJPQAJ-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000856170267 1007708673 /nfs/dbraw/zinc/70/86/73/1007708673.db2.gz XBAOKYWXPJPQAJ-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000856170267 1007708677 /nfs/dbraw/zinc/70/86/77/1007708677.db2.gz XBAOKYWXPJPQAJ-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857148015 1008070760 /nfs/dbraw/zinc/07/07/60/1008070760.db2.gz FRXHMGJEXWMYDE-HXUWFJFHSA-N 2 1 356.514 2.803 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC001093832873 1010604289 /nfs/dbraw/zinc/60/42/89/1010604289.db2.gz FELCAAKEHGAMTN-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC001093832873 1010604293 /nfs/dbraw/zinc/60/42/93/1010604293.db2.gz FELCAAKEHGAMTN-QIJUGHKUSA-N 2 1 367.537 2.531 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2 ZINC001094436458 1011127311 /nfs/dbraw/zinc/12/73/11/1011127311.db2.gz UQRVPWMWZPGIPX-QKNQBKEWSA-N 2 1 371.550 2.707 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2 ZINC001094436458 1011127315 /nfs/dbraw/zinc/12/73/15/1011127315.db2.gz UQRVPWMWZPGIPX-QKNQBKEWSA-N 2 1 371.550 2.707 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccsc1)CC2 ZINC001094436458 1011127318 /nfs/dbraw/zinc/12/73/18/1011127318.db2.gz UQRVPWMWZPGIPX-QKNQBKEWSA-N 2 1 371.550 2.707 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccsc1)CC2 ZINC001094436458 1011127322 /nfs/dbraw/zinc/12/73/22/1011127322.db2.gz UQRVPWMWZPGIPX-QKNQBKEWSA-N 2 1 371.550 2.707 20 30 FFEDMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984865 1012154347 /nfs/dbraw/zinc/15/43/47/1012154347.db2.gz NUSLFZHBYYBGOB-SJORKVTESA-N 2 1 350.507 2.696 20 30 FFEDMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984865 1012154356 /nfs/dbraw/zinc/15/43/56/1012154356.db2.gz NUSLFZHBYYBGOB-SJORKVTESA-N 2 1 350.507 2.696 20 30 FFEDMP CCCCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000303894119 1012503685 /nfs/dbraw/zinc/50/36/85/1012503685.db2.gz OQHSKENXWNGAJG-UHFFFAOYSA-N 2 1 359.562 2.809 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303979216 1012550982 /nfs/dbraw/zinc/55/09/82/1012550982.db2.gz MWQPNGPRXVEHDL-NRFANRHFSA-N 3 1 371.573 2.951 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001074015791 1020625973 /nfs/dbraw/zinc/62/59/73/1020625973.db2.gz PDPXEMXVFLHXOG-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001074015791 1020625974 /nfs/dbraw/zinc/62/59/74/1020625974.db2.gz PDPXEMXVFLHXOG-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001074015791 1020625976 /nfs/dbraw/zinc/62/59/76/1020625976.db2.gz PDPXEMXVFLHXOG-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001074015791 1020625979 /nfs/dbraw/zinc/62/59/79/1020625979.db2.gz PDPXEMXVFLHXOG-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC001116361654 1021178971 /nfs/dbraw/zinc/17/89/71/1021178971.db2.gz DMYYBOVZIMLMFS-UHFFFAOYSA-N 2 1 351.454 2.588 20 30 FFEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000187856430 1022953711 /nfs/dbraw/zinc/95/37/11/1022953711.db2.gz WXNLSKACAOJSRM-UHFFFAOYSA-N 2 1 354.454 2.928 20 30 FFEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000187856430 1022953720 /nfs/dbraw/zinc/95/37/20/1022953720.db2.gz WXNLSKACAOJSRM-UHFFFAOYSA-N 2 1 354.454 2.928 20 30 FFEDMP C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000188107644 1023014810 /nfs/dbraw/zinc/01/48/10/1023014810.db2.gz ADYAUEUQWQXLPS-GOSISDBHSA-N 2 1 372.513 2.578 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143091 1023277462 /nfs/dbraw/zinc/27/74/62/1023277462.db2.gz GZFVHASUKYNTMP-TYPHKJRUSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143091 1023277464 /nfs/dbraw/zinc/27/74/64/1023277464.db2.gz GZFVHASUKYNTMP-TYPHKJRUSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000753143091 1023277470 /nfs/dbraw/zinc/27/74/70/1023277470.db2.gz GZFVHASUKYNTMP-TYPHKJRUSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000753143091 1023277473 /nfs/dbraw/zinc/27/74/73/1023277473.db2.gz GZFVHASUKYNTMP-TYPHKJRUSA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)C[C@@H]21 ZINC001222724883 1033129667 /nfs/dbraw/zinc/12/96/67/1033129667.db2.gz IMGQMUFKWNFKQJ-MJGOQNOKSA-N 2 1 356.514 2.651 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377058 1025847111 /nfs/dbraw/zinc/84/71/11/1025847111.db2.gz LVACNDKDIPGFDQ-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377058 1025847130 /nfs/dbraw/zinc/84/71/30/1025847130.db2.gz LVACNDKDIPGFDQ-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102377058 1025847148 /nfs/dbraw/zinc/84/71/48/1025847148.db2.gz LVACNDKDIPGFDQ-TZIWHRDSSA-N 2 1 357.542 2.811 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103085019 1026944517 /nfs/dbraw/zinc/94/45/17/1026944517.db2.gz AMOWAQVAVIWNJF-FVQBIDKESA-N 2 1 350.894 2.587 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103085019 1026944523 /nfs/dbraw/zinc/94/45/23/1026944523.db2.gz AMOWAQVAVIWNJF-FVQBIDKESA-N 2 1 350.894 2.587 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000092665538 1027394971 /nfs/dbraw/zinc/39/49/71/1027394971.db2.gz TZITVMTZXUARQL-WOJBJXKFSA-N 2 1 355.526 2.689 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535061 1027648185 /nfs/dbraw/zinc/64/81/85/1027648185.db2.gz ALODZBCKIHMEBL-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001103535061 1027648192 /nfs/dbraw/zinc/64/81/92/1027648192.db2.gz ALODZBCKIHMEBL-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)CCC=C)C3)CC1 ZINC001112004171 1029852448 /nfs/dbraw/zinc/85/24/48/1029852448.db2.gz OBJJDLLSRFSCMT-CBQOVEMMSA-N 2 1 357.542 2.657 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001112215933 1030261234 /nfs/dbraw/zinc/26/12/34/1030261234.db2.gz OUBPIVQIHSUQPA-IAGOWNOFSA-N 2 1 369.431 2.673 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001112360973 1030656164 /nfs/dbraw/zinc/65/61/64/1030656164.db2.gz VMUVJMYPLPSFQP-BMFAXAFESA-N 2 1 353.938 2.688 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205292857 1031653398 /nfs/dbraw/zinc/65/33/98/1031653398.db2.gz QMPRRAZLSOKZKE-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP c1ccc(C[N@H+]2C[C@H]3CCCC(=NNCCC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000799488626 1031782962 /nfs/dbraw/zinc/78/29/62/1031782962.db2.gz HHDIUNYVFDKYCQ-NHCUHLMSSA-N 2 1 370.541 2.586 20 30 FFEDMP c1ccc(C[N@@H+]2C[C@H]3CCCC(=NNCCC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000799488626 1031782974 /nfs/dbraw/zinc/78/29/74/1031782974.db2.gz HHDIUNYVFDKYCQ-NHCUHLMSSA-N 2 1 370.541 2.586 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205572671 1031841398 /nfs/dbraw/zinc/84/13/98/1031841398.db2.gz LWFGBAMZVUIHFM-SXLOBPIMSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001220600765 1034283438 /nfs/dbraw/zinc/28/34/38/1034283438.db2.gz ULBRAMBYGSBEGB-QZTJIDSGSA-N 2 1 350.551 2.857 20 30 FFEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001139528232 1035147769 /nfs/dbraw/zinc/14/77/69/1035147769.db2.gz OZNHYYDTDWKLNO-TZIWHRDSSA-N 2 1 357.473 2.878 20 30 FFEDMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229037706 1036466996 /nfs/dbraw/zinc/46/69/96/1036466996.db2.gz NRRHTDASASYZGZ-IOMROCGXSA-N 2 1 364.493 2.657 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001230274779 1037186582 /nfs/dbraw/zinc/18/65/82/1037186582.db2.gz LCMZDCIVHYNFLQ-VSKRKVRLSA-N 2 1 367.537 2.930 20 30 FFEDMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(C#Cc4ccccc4)s3)C2)C1 ZINC001236080386 1037922819 /nfs/dbraw/zinc/92/28/19/1037922819.db2.gz WIWLFNBHRSJPEI-LJQANCHMSA-N 2 1 351.519 2.755 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208605778 1038441063 /nfs/dbraw/zinc/44/10/63/1038441063.db2.gz UUSQRSKHHXBJRR-JTDSTZFVSA-N 2 1 360.502 2.675 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208605778 1038441068 /nfs/dbraw/zinc/44/10/68/1038441068.db2.gz UUSQRSKHHXBJRR-JTDSTZFVSA-N 2 1 360.502 2.675 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246034173 1039204770 /nfs/dbraw/zinc/20/47/70/1039204770.db2.gz JLPYCJGKGUIZMX-ZJOUEHCJSA-N 2 1 368.562 2.963 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727831 1039492202 /nfs/dbraw/zinc/49/22/02/1039492202.db2.gz JLISJZZVNJIRAL-WIYYLYMNSA-N 2 1 373.545 2.816 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727831 1039492204 /nfs/dbraw/zinc/49/22/04/1039492204.db2.gz JLISJZZVNJIRAL-WIYYLYMNSA-N 2 1 373.545 2.816 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001252463839 1039545470 /nfs/dbraw/zinc/54/54/70/1039545470.db2.gz SWCFUIXATMNQBR-KVPLUYHFSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001252463839 1039545483 /nfs/dbraw/zinc/54/54/83/1039545483.db2.gz SWCFUIXATMNQBR-KVPLUYHFSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001252463839 1039545503 /nfs/dbraw/zinc/54/55/03/1039545503.db2.gz SWCFUIXATMNQBR-KVPLUYHFSA-N 2 1 364.555 2.844 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001214879475 1041605085 /nfs/dbraw/zinc/60/50/85/1041605085.db2.gz ZXMHRBDHKVIPBM-FCEUIQTBSA-N 2 1 367.537 2.543 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001214879475 1041605090 /nfs/dbraw/zinc/60/50/90/1041605090.db2.gz ZXMHRBDHKVIPBM-FCEUIQTBSA-N 2 1 367.537 2.543 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001264592140 1042730278 /nfs/dbraw/zinc/73/02/78/1042730278.db2.gz DASPVBPOZSOGIU-FGZHOGPDSA-N 2 1 367.537 2.860 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001264592140 1042730281 /nfs/dbraw/zinc/73/02/81/1042730281.db2.gz DASPVBPOZSOGIU-FGZHOGPDSA-N 2 1 367.537 2.860 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264592115 1042730560 /nfs/dbraw/zinc/73/05/60/1042730560.db2.gz CLJFNTYSGMDVNI-VSKRKVRLSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001264592115 1042730564 /nfs/dbraw/zinc/73/05/64/1042730564.db2.gz CLJFNTYSGMDVNI-VSKRKVRLSA-N 2 1 367.537 2.714 20 30 FFEDMP COc1cc(C#N)ccc1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001279297339 1042988740 /nfs/dbraw/zinc/98/87/40/1042988740.db2.gz XJEVEVZHQIMVDI-RTWAWAEBSA-N 2 1 356.514 2.653 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046648 /nfs/dbraw/zinc/04/66/48/1043046648.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046658 /nfs/dbraw/zinc/04/66/58/1043046658.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046668 /nfs/dbraw/zinc/04/66/68/1043046668.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046676 /nfs/dbraw/zinc/04/66/76/1043046676.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046680 /nfs/dbraw/zinc/04/66/80/1043046680.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 2 1 362.468 2.542 20 30 FFEDMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cc(C#N)n(C)c4)C3)CC2)no1 ZINC001279402890 1043062156 /nfs/dbraw/zinc/06/21/56/1043062156.db2.gz LKOUQUNMMZMDMO-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)CC2)no1 ZINC001279402890 1043062162 /nfs/dbraw/zinc/06/21/62/1043062162.db2.gz LKOUQUNMMZMDMO-UHFFFAOYSA-N 2 1 353.470 2.681 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1O ZINC001279605066 1043328776 /nfs/dbraw/zinc/32/87/76/1043328776.db2.gz VBDMWUMLXSHIEE-UHFFFAOYSA-N 2 1 352.482 2.942 20 30 FFEDMP N#Cc1ccnc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001279605941 1043330445 /nfs/dbraw/zinc/33/04/45/1043330445.db2.gz GGMOVJLZJNPGDH-UHFFFAOYSA-N 2 1 350.470 2.555 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001278176524 1043484729 /nfs/dbraw/zinc/48/47/29/1043484729.db2.gz YEQIGVPZEOHZQW-JOCHJYFZSA-N 2 1 354.542 2.840 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279864875 1043796780 /nfs/dbraw/zinc/79/67/80/1043796780.db2.gz KIHQELLOSGOKMY-FXAWDEMLSA-N 2 1 361.534 2.818 20 30 FFEDMP N#Cc1c2c(cnc1-c1cccc(CC[NH+]3CCOCC3)c1)C[NH2+]CCC2 ZINC001240253682 1044281200 /nfs/dbraw/zinc/28/12/00/1044281200.db2.gz BPRUKEBUPHVSQO-UHFFFAOYSA-N 2 1 362.477 2.531 20 30 FFEDMP CCc1cc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001280217638 1044411558 /nfs/dbraw/zinc/41/15/58/1044411558.db2.gz PPUQWYCGCVXFDH-JOCHJYFZSA-N 2 1 354.542 2.970 20 30 FFEDMP Cn1cc(C[N@H+]2CCC[C@@]3(CCCN(CCC[NH+](C)C)C3)C2)cc1C#N ZINC001280220859 1044415283 /nfs/dbraw/zinc/41/52/83/1044415283.db2.gz JYSKPIKJSPAHDQ-OAQYLSRUSA-N 2 1 357.546 2.526 20 30 FFEDMP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001491900733 1050679680 /nfs/dbraw/zinc/67/96/80/1050679680.db2.gz VILFVZCNYMCYND-RBUKOAKNSA-N 2 1 363.933 2.918 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001356076866 1055267429 /nfs/dbraw/zinc/26/74/29/1055267429.db2.gz XRMKYIXNPYHVES-GOSISDBHSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001356076866 1055267441 /nfs/dbraw/zinc/26/74/41/1055267441.db2.gz XRMKYIXNPYHVES-GOSISDBHSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001356076866 1055267452 /nfs/dbraw/zinc/26/74/52/1055267452.db2.gz XRMKYIXNPYHVES-GOSISDBHSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001356076866 1055267459 /nfs/dbraw/zinc/26/74/59/1055267459.db2.gz XRMKYIXNPYHVES-GOSISDBHSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001338850415 1055870849 /nfs/dbraw/zinc/87/08/49/1055870849.db2.gz ALBZHBODNQYSHA-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCCCC=C)CC1 ZINC001500037728 1058430529 /nfs/dbraw/zinc/43/05/29/1058430529.db2.gz LHPQWTXZDJBIEC-TZIWHRDSSA-N 2 1 359.558 2.999 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500347398 1058472446 /nfs/dbraw/zinc/47/24/46/1058472446.db2.gz FKFQXMKHEKCKKS-TUNNFDKTSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073914 1060268417 /nfs/dbraw/zinc/26/84/17/1060268417.db2.gz WJDRIZVIDGAPAJ-MLNNCEHLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073914 1060268433 /nfs/dbraw/zinc/26/84/33/1060268433.db2.gz WJDRIZVIDGAPAJ-MLNNCEHLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073914 1060268448 /nfs/dbraw/zinc/26/84/48/1060268448.db2.gz WJDRIZVIDGAPAJ-MLNNCEHLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001457073914 1060268464 /nfs/dbraw/zinc/26/84/64/1060268464.db2.gz WJDRIZVIDGAPAJ-MLNNCEHLSA-N 2 1 365.521 2.501 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(OC)c1O ZINC001461349067 1061298460 /nfs/dbraw/zinc/29/84/60/1061298460.db2.gz YUTWMWZURBSPCW-OALUTQOASA-N 2 1 360.498 2.597 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575047472 1078100044 /nfs/dbraw/zinc/10/00/44/1078100044.db2.gz ASXAKMAFIKFPJL-LQWHRVPQSA-N 2 1 354.498 2.773 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575047472 1078100046 /nfs/dbraw/zinc/10/00/46/1078100046.db2.gz ASXAKMAFIKFPJL-LQWHRVPQSA-N 2 1 354.498 2.773 20 30 FFEDMP CC(C)N(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001575680912 1078163422 /nfs/dbraw/zinc/16/34/22/1078163422.db2.gz DEMWVVADKDKMQK-PMACEKPBSA-N 2 1 356.514 2.909 20 30 FFEDMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001578186783 1078448662 /nfs/dbraw/zinc/44/86/62/1078448662.db2.gz FNMXJBMHDUGXNJ-FKBYEOEOSA-N 2 1 365.477 2.726 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045121 1076873967 /nfs/dbraw/zinc/87/39/67/1076873967.db2.gz SQSMQMFGEVWLOY-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045121 1076873971 /nfs/dbraw/zinc/87/39/71/1076873971.db2.gz SQSMQMFGEVWLOY-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045121 1076873974 /nfs/dbraw/zinc/87/39/74/1076873974.db2.gz SQSMQMFGEVWLOY-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045121 1076873978 /nfs/dbraw/zinc/87/39/78/1076873978.db2.gz SQSMQMFGEVWLOY-UWVAXJGDSA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567141775 1077002811 /nfs/dbraw/zinc/00/28/11/1077002811.db2.gz JHISNHZMIAIPLI-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000093132881 508122841 /nfs/dbraw/zinc/12/28/41/508122841.db2.gz ZWKBQEBCVDLXIZ-FQEVSTJZSA-N 2 1 356.514 2.581 20 30 FFEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000076762239 508252093 /nfs/dbraw/zinc/25/20/93/508252093.db2.gz WLALDWVSBCCZJM-IBGZPJMESA-N 2 1 357.498 2.960 20 30 FFEDMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000114455328 508315289 /nfs/dbraw/zinc/31/52/89/508315289.db2.gz NNPHHUZEWPXOFX-KRWDZBQOSA-N 2 1 356.514 2.930 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000077582105 508337668 /nfs/dbraw/zinc/33/76/68/508337668.db2.gz JOJRLECYNJUWPC-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000152366820 508432216 /nfs/dbraw/zinc/43/22/16/508432216.db2.gz VFWLKZYJCSSQQV-IBGZPJMESA-N 2 1 356.514 2.824 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000130869445 508858152 /nfs/dbraw/zinc/85/81/52/508858152.db2.gz ODCSFXZXIBBCAY-MRXNPFEDSA-N 2 1 371.460 2.988 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000130869445 508858156 /nfs/dbraw/zinc/85/81/56/508858156.db2.gz ODCSFXZXIBBCAY-MRXNPFEDSA-N 2 1 371.460 2.988 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422381 /nfs/dbraw/zinc/42/23/81/512422381.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 2 1 350.547 2.819 20 30 FFEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422385 /nfs/dbraw/zinc/42/23/85/512422385.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 2 1 350.547 2.819 20 30 FFEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422388 /nfs/dbraw/zinc/42/23/88/512422388.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 2 1 350.547 2.819 20 30 FFEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCC2 ZINC000150804111 508896608 /nfs/dbraw/zinc/89/66/08/508896608.db2.gz IHQGGBMBWYFLLF-HNNXBMFYSA-N 2 1 372.538 2.855 20 30 FFEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCC2 ZINC000150804111 508896610 /nfs/dbraw/zinc/89/66/10/508896610.db2.gz IHQGGBMBWYFLLF-HNNXBMFYSA-N 2 1 372.538 2.855 20 30 FFEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1(C#N)CCCCC1 ZINC000185703389 509313939 /nfs/dbraw/zinc/31/39/39/509313939.db2.gz FCCCRPBCLKAXPO-BZSNNMDCSA-N 2 1 360.546 2.960 20 30 FFEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1(C#N)CCCCC1 ZINC000185703389 509313947 /nfs/dbraw/zinc/31/39/47/509313947.db2.gz FCCCRPBCLKAXPO-BZSNNMDCSA-N 2 1 360.546 2.960 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182917793 509494632 /nfs/dbraw/zinc/49/46/32/509494632.db2.gz LWQWLKMFMQCNIE-IBGZPJMESA-N 2 1 351.454 2.581 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182917793 509494639 /nfs/dbraw/zinc/49/46/39/509494639.db2.gz LWQWLKMFMQCNIE-IBGZPJMESA-N 2 1 351.454 2.581 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183144130 509625225 /nfs/dbraw/zinc/62/52/25/509625225.db2.gz YURGSDXMVNDWQQ-HZPDHXFCSA-N 2 1 353.470 2.840 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249474172 509688780 /nfs/dbraw/zinc/68/87/80/509688780.db2.gz UZHRNOKGSFQLFN-PXNSSMCTSA-N 2 1 372.513 2.613 20 30 FFEDMP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000245516752 509979955 /nfs/dbraw/zinc/97/99/55/509979955.db2.gz GEEFCOVHWGMFOQ-UXPWSPDFSA-N 2 1 363.465 2.833 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000245678841 510079858 /nfs/dbraw/zinc/07/98/58/510079858.db2.gz GFAKZSGNXBZNJA-GUDVDZBRSA-N 2 1 350.551 2.809 20 30 FFEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000190535961 510189278 /nfs/dbraw/zinc/18/92/78/510189278.db2.gz HBAHNACLVVBVKC-HXUWFJFHSA-N 2 1 368.481 2.713 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000180986333 510224102 /nfs/dbraw/zinc/22/41/02/510224102.db2.gz CEHAFLRZYJUIAV-QFIPXVFZSA-N 2 1 364.489 2.945 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000246243674 510385229 /nfs/dbraw/zinc/38/52/29/510385229.db2.gz UYCWRBWSVLAMFU-VQTJNVASSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC000246243674 510385235 /nfs/dbraw/zinc/38/52/35/510385235.db2.gz UYCWRBWSVLAMFU-VQTJNVASSA-N 2 1 374.525 2.581 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262800598 510416946 /nfs/dbraw/zinc/41/69/46/510416946.db2.gz QUKSNCKIIFGGIE-GDBMZVCRSA-N 2 1 353.470 2.632 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N(C)CCC#N ZINC000246596925 510576036 /nfs/dbraw/zinc/57/60/36/510576036.db2.gz PYOSLDZWGHKZKF-ZWKOTPCHSA-N 2 1 356.514 2.769 20 30 FFEDMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277284171 510957832 /nfs/dbraw/zinc/95/78/32/510957832.db2.gz KDILGYMCGAAZME-CQSZACIVSA-N 2 1 372.435 2.611 20 30 FFEDMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330348549 510971899 /nfs/dbraw/zinc/97/18/99/510971899.db2.gz IVKXAWSRQWWHKD-INIZCTEOSA-N 2 1 358.490 2.792 20 30 FFEDMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330348549 510971906 /nfs/dbraw/zinc/97/19/06/510971906.db2.gz IVKXAWSRQWWHKD-INIZCTEOSA-N 2 1 358.490 2.792 20 30 FFEDMP C=CCc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000289398895 511099251 /nfs/dbraw/zinc/09/92/51/511099251.db2.gz GCKMWTAMCKFSMU-UHFFFAOYSA-N 2 1 361.530 2.587 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000281472067 511860800 /nfs/dbraw/zinc/86/08/00/511860800.db2.gz BOQYRAHWHZBJPT-UHFFFAOYSA-N 2 1 351.450 2.689 20 30 FFEDMP C[N@H+](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCSC1 ZINC000329362225 512033990 /nfs/dbraw/zinc/03/39/90/512033990.db2.gz HFGWYXKORINOID-MRXNPFEDSA-N 2 1 363.527 2.669 20 30 FFEDMP C[N@@H+](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCSC1 ZINC000329362225 512034001 /nfs/dbraw/zinc/03/40/01/512034001.db2.gz HFGWYXKORINOID-MRXNPFEDSA-N 2 1 363.527 2.669 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411825138 512833098 /nfs/dbraw/zinc/83/30/98/512833098.db2.gz RGXRUWSVOFJFGS-PCCBWWKXSA-N 2 1 368.525 2.536 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139817 514396444 /nfs/dbraw/zinc/39/64/44/514396444.db2.gz FMWPTAGPYWFCKQ-FPOVZHCZSA-N 2 1 354.498 2.522 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454546558 515567556 /nfs/dbraw/zinc/56/75/56/515567556.db2.gz NZHXCJRUGPVQBQ-UHFFFAOYSA-N 2 1 370.541 2.991 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000493806241 515665522 /nfs/dbraw/zinc/66/55/22/515665522.db2.gz FESUEBPUZOKGNW-NRFANRHFSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000493806241 515665530 /nfs/dbraw/zinc/66/55/30/515665530.db2.gz FESUEBPUZOKGNW-NRFANRHFSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000493806242 515665799 /nfs/dbraw/zinc/66/57/99/515665799.db2.gz FESUEBPUZOKGNW-OAQYLSRUSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000493806242 515665805 /nfs/dbraw/zinc/66/58/05/515665805.db2.gz FESUEBPUZOKGNW-OAQYLSRUSA-N 2 1 370.541 2.595 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1)CC1CC1 ZINC000469758970 515953255 /nfs/dbraw/zinc/95/32/55/515953255.db2.gz UNQLUCLSFZXEPM-QGZVFWFLSA-N 2 1 360.546 2.771 20 30 FFEDMP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000507596321 516257206 /nfs/dbraw/zinc/25/72/06/516257206.db2.gz NVXPXZKSUHQVTI-NLMOZGTASA-N 2 1 368.525 2.568 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000557482233 518029917 /nfs/dbraw/zinc/02/99/17/518029917.db2.gz ZFVLLKUDXFFZBN-UHFFFAOYSA-N 2 1 354.498 2.887 20 30 FFEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000568169819 518904215 /nfs/dbraw/zinc/90/42/15/518904215.db2.gz VBAOVUKQQLJTMN-MRXNPFEDSA-N 2 1 351.458 2.578 20 30 FFEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000568169819 518904220 /nfs/dbraw/zinc/90/42/20/518904220.db2.gz VBAOVUKQQLJTMN-MRXNPFEDSA-N 2 1 351.458 2.578 20 30 FFEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582779757 518918038 /nfs/dbraw/zinc/91/80/38/518918038.db2.gz XXUPWPQFLTZPMS-IMFGXOCKSA-N 2 1 354.498 2.954 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000565613628 519044313 /nfs/dbraw/zinc/04/43/13/519044313.db2.gz VXNVKSZUWTZEOX-FGZHOGPDSA-N 2 1 360.542 2.775 20 30 FFEDMP C(#CC[N@H+]1CCC[C@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000565613630 519044387 /nfs/dbraw/zinc/04/43/87/519044387.db2.gz VXNVKSZUWTZEOX-VXKWHMMOSA-N 2 1 360.542 2.775 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000600747460 520445086 /nfs/dbraw/zinc/44/50/86/520445086.db2.gz XNMKGQNTVMHGIU-UXHICEINSA-N 2 1 353.510 2.933 20 30 FFEDMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595612402 520592811 /nfs/dbraw/zinc/59/28/11/520592811.db2.gz WJUQEYWSYXXMRU-LJQANCHMSA-N 2 1 368.525 2.701 20 30 FFEDMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595612402 520592812 /nfs/dbraw/zinc/59/28/12/520592812.db2.gz WJUQEYWSYXXMRU-LJQANCHMSA-N 2 1 368.525 2.701 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(F)(F)F)c1 ZINC000303880528 729735257 /nfs/dbraw/zinc/73/52/57/729735257.db2.gz HGJYZHOLXPSJLQ-AWEZNQCLSA-N 2 1 358.408 2.516 20 30 FFEDMP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1ccccc1Cl ZINC000304672545 729736697 /nfs/dbraw/zinc/73/66/97/729736697.db2.gz CIRJXJISJVRJLJ-HUUCEWRRSA-N 2 1 352.910 2.886 20 30 FFEDMP C#CCOc1cccc(Cl)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000779157772 738441088 /nfs/dbraw/zinc/44/10/88/738441088.db2.gz SFURMDQTFUPASY-UHFFFAOYSA-N 2 1 350.890 2.895 20 30 FFEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820087393 742462104 /nfs/dbraw/zinc/46/21/04/742462104.db2.gz VACUATAFGSVGAN-YJBOKZPZSA-N 2 1 364.921 2.586 20 30 FFEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820087393 742462107 /nfs/dbraw/zinc/46/21/07/742462107.db2.gz VACUATAFGSVGAN-YJBOKZPZSA-N 2 1 364.921 2.586 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001104932582 971175646 /nfs/dbraw/zinc/17/56/46/971175646.db2.gz BJAUGAODIKUIMC-IFMALSPDSA-N 2 1 369.553 2.844 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994153 971733155 /nfs/dbraw/zinc/73/31/55/971733155.db2.gz TWMVFGBHXYOYLN-AOIWGVFYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994153 971733163 /nfs/dbraw/zinc/73/31/63/971733163.db2.gz TWMVFGBHXYOYLN-AOIWGVFYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994153 971733165 /nfs/dbraw/zinc/73/31/65/971733165.db2.gz TWMVFGBHXYOYLN-AOIWGVFYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994153 971733173 /nfs/dbraw/zinc/73/31/73/971733173.db2.gz TWMVFGBHXYOYLN-AOIWGVFYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994153 971733177 /nfs/dbraw/zinc/73/31/77/971733177.db2.gz TWMVFGBHXYOYLN-AOIWGVFYSA-N 2 1 365.949 2.926 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3=CCCCC3)CC[C@@H]2C1 ZINC001087997859 971783929 /nfs/dbraw/zinc/78/39/29/971783929.db2.gz CTKOQSHBXSXODA-FSSWDIPSSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3=CCCCC3)CC[C@@H]2C1 ZINC001087997859 971783936 /nfs/dbraw/zinc/78/39/36/971783936.db2.gz CTKOQSHBXSXODA-FSSWDIPSSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]2C1 ZINC001087997859 971783940 /nfs/dbraw/zinc/78/39/40/971783940.db2.gz CTKOQSHBXSXODA-FSSWDIPSSA-N 2 1 369.553 2.755 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]2C1 ZINC001087997859 971783946 /nfs/dbraw/zinc/78/39/46/971783946.db2.gz CTKOQSHBXSXODA-FSSWDIPSSA-N 2 1 369.553 2.755 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3C#N)CC2(C)C)CC[N@H+]1C ZINC000974600228 972047763 /nfs/dbraw/zinc/04/77/63/972047763.db2.gz PBWFPRDENZJMLF-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@@H+]1C ZINC000974600228 972047766 /nfs/dbraw/zinc/04/77/66/972047766.db2.gz PBWFPRDENZJMLF-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@H+]1C ZINC000974600228 972047770 /nfs/dbraw/zinc/04/77/70/972047770.db2.gz PBWFPRDENZJMLF-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000974600228 972047774 /nfs/dbraw/zinc/04/77/74/972047774.db2.gz PBWFPRDENZJMLF-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000974600228 972047778 /nfs/dbraw/zinc/04/77/78/972047778.db2.gz PBWFPRDENZJMLF-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001104306162 962890029 /nfs/dbraw/zinc/89/00/29/962890029.db2.gz OBPSVRBLWCWRET-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001104306162 962890041 /nfs/dbraw/zinc/89/00/41/962890041.db2.gz OBPSVRBLWCWRET-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001269770631 964294774 /nfs/dbraw/zinc/29/47/74/964294774.db2.gz PIMOGAVANBTDJE-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087201337 966203333 /nfs/dbraw/zinc/20/33/33/966203333.db2.gz LTNQDWQFFFJXER-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001104424653 966776543 /nfs/dbraw/zinc/77/65/43/966776543.db2.gz QAFBNKXELTYMBQ-GDBMZVCRSA-N 2 1 364.921 2.589 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593633 968287071 /nfs/dbraw/zinc/28/70/71/968287071.db2.gz OJJKJKGWCAETJE-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593633 968287080 /nfs/dbraw/zinc/28/70/80/968287080.db2.gz OJJKJKGWCAETJE-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593633 968287087 /nfs/dbraw/zinc/28/70/87/968287087.db2.gz OJJKJKGWCAETJE-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001087593633 968287096 /nfs/dbraw/zinc/28/70/96/968287096.db2.gz OJJKJKGWCAETJE-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087640818 968476868 /nfs/dbraw/zinc/47/68/68/968476868.db2.gz YQHPUNXGSBQXAU-VQTJNVASSA-N 2 1 366.509 2.656 20 30 FFEDMP Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329924826 969111507 /nfs/dbraw/zinc/11/15/07/969111507.db2.gz JGVLFQFNHOQMDF-UHFFFAOYSA-N 2 1 369.513 2.981 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)ncc4C3)C[C@@H]2C1 ZINC001088107308 972828752 /nfs/dbraw/zinc/82/87/52/972828752.db2.gz QYWADHIVTAOSOU-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107308 972828767 /nfs/dbraw/zinc/82/87/67/972828767.db2.gz QYWADHIVTAOSOU-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107308 972828779 /nfs/dbraw/zinc/82/87/79/972828779.db2.gz QYWADHIVTAOSOU-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)ncc4C3)C[C@@H]2C1 ZINC001088107307 972830241 /nfs/dbraw/zinc/83/02/41/972830241.db2.gz QYWADHIVTAOSOU-OTWHNJEPSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107307 972830256 /nfs/dbraw/zinc/83/02/56/972830256.db2.gz QYWADHIVTAOSOU-OTWHNJEPSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107307 972830270 /nfs/dbraw/zinc/83/02/70/972830270.db2.gz QYWADHIVTAOSOU-OTWHNJEPSA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C(C)C)C[C@@H]2C1 ZINC001088126056 972948951 /nfs/dbraw/zinc/94/89/51/972948951.db2.gz MJDRDUMVUKRUQU-CVEARBPZSA-N 2 1 350.894 2.539 20 30 FFEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001271785908 974331800 /nfs/dbraw/zinc/33/18/00/974331800.db2.gz XLFNKJPPTQEIIJ-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001271785908 974331807 /nfs/dbraw/zinc/33/18/07/974331807.db2.gz XLFNKJPPTQEIIJ-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001271785908 974331815 /nfs/dbraw/zinc/33/18/15/974331815.db2.gz XLFNKJPPTQEIIJ-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001027420141 974409559 /nfs/dbraw/zinc/40/95/59/974409559.db2.gz YOTWMGSCHXEGAQ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001027420141 974409565 /nfs/dbraw/zinc/40/95/65/974409565.db2.gz YOTWMGSCHXEGAQ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001027420141 974409571 /nfs/dbraw/zinc/40/95/71/974409571.db2.gz YOTWMGSCHXEGAQ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211690840 975379614 /nfs/dbraw/zinc/37/96/14/975379614.db2.gz MMMIMAKENHHRQZ-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCC[NH2+]1 ZINC000662686543 975826045 /nfs/dbraw/zinc/82/60/45/975826045.db2.gz OTHAHNIZHQBAMB-HXUWFJFHSA-N 2 1 363.452 2.744 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877400 1014406854 /nfs/dbraw/zinc/40/68/54/1014406854.db2.gz UXARJDCWHFWZME-MNDZRTMASA-N 2 1 366.509 2.609 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877400 1014406859 /nfs/dbraw/zinc/40/68/59/1014406859.db2.gz UXARJDCWHFWZME-MNDZRTMASA-N 2 1 366.509 2.609 20 30 FFEDMP C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001087455722 977777059 /nfs/dbraw/zinc/77/70/59/977777059.db2.gz JRKKDWJOZWHOBW-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP CCCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N(C)CC[NH+](CC)CC)O2 ZINC001279866480 978301780 /nfs/dbraw/zinc/30/17/80/978301780.db2.gz MRACNKYAQNQOPQ-IBGZPJMESA-N 2 1 367.578 2.990 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2C#N)C(C)C)CC[N@H+]1C ZINC001271844998 979141772 /nfs/dbraw/zinc/14/17/72/979141772.db2.gz IXBOUAMXBYFFKL-SLFFLAALSA-N 2 1 356.514 2.519 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N(C)Cc1ccc(F)cc1 ZINC000262590683 979246910 /nfs/dbraw/zinc/24/69/10/979246910.db2.gz UUOTVADDONLWMI-UHFFFAOYSA-N 2 1 366.444 2.922 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996334676 984318346 /nfs/dbraw/zinc/31/83/46/984318346.db2.gz ODIGXQKMDLJAKS-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424436 984526022 /nfs/dbraw/zinc/52/60/22/984526022.db2.gz NWHPIBHOVQNBOB-QWFCFKBJSA-N 2 1 353.526 2.993 20 30 FFEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952294 985396077 /nfs/dbraw/zinc/39/60/77/985396077.db2.gz ACZIYULMKPJPIM-QKNQBKEWSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952294 985396079 /nfs/dbraw/zinc/39/60/79/985396079.db2.gz ACZIYULMKPJPIM-QKNQBKEWSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952294 985396092 /nfs/dbraw/zinc/39/60/92/985396092.db2.gz ACZIYULMKPJPIM-QKNQBKEWSA-N 2 1 367.578 2.894 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3C)[C@@H]2C)CC1 ZINC001089059257 986139616 /nfs/dbraw/zinc/13/96/16/986139616.db2.gz GGBSAMRNMYHXKM-KNQAVFIVSA-N 2 1 367.537 2.728 20 30 FFEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409023 990052711 /nfs/dbraw/zinc/05/27/11/990052711.db2.gz ADTBCSBVAZBOKX-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409023 990052715 /nfs/dbraw/zinc/05/27/15/990052715.db2.gz ADTBCSBVAZBOKX-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409023 990052723 /nfs/dbraw/zinc/05/27/23/990052723.db2.gz ADTBCSBVAZBOKX-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001079186418 991896225 /nfs/dbraw/zinc/89/62/25/991896225.db2.gz KNMNJZFTTMMGFH-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1F ZINC001079298818 991987120 /nfs/dbraw/zinc/98/71/20/991987120.db2.gz IGIUBYXOGBKWPB-AZUAARDMSA-N 2 1 359.489 2.770 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017332 992654835 /nfs/dbraw/zinc/65/48/35/992654835.db2.gz GEHZMBLTZBVORM-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017332 992654840 /nfs/dbraw/zinc/65/48/40/992654840.db2.gz GEHZMBLTZBVORM-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017332 992654845 /nfs/dbraw/zinc/65/48/45/992654845.db2.gz GEHZMBLTZBVORM-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017332 992654847 /nfs/dbraw/zinc/65/48/47/992654847.db2.gz GEHZMBLTZBVORM-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080552712 993158815 /nfs/dbraw/zinc/15/88/15/993158815.db2.gz GYWHQTCNFIMUIX-LVCYWYKZSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557243 993162843 /nfs/dbraw/zinc/16/28/43/993162843.db2.gz LUHVRKQFYTZZQZ-FCEUIQTBSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557243 993162845 /nfs/dbraw/zinc/16/28/45/993162845.db2.gz LUHVRKQFYTZZQZ-FCEUIQTBSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557243 993162849 /nfs/dbraw/zinc/16/28/49/993162849.db2.gz LUHVRKQFYTZZQZ-FCEUIQTBSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080557243 993162851 /nfs/dbraw/zinc/16/28/51/993162851.db2.gz LUHVRKQFYTZZQZ-FCEUIQTBSA-N 2 1 367.537 2.738 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC001081125665 993654918 /nfs/dbraw/zinc/65/49/18/993654918.db2.gz LNHZULIIXXQJFR-BDTNDASRSA-N 2 1 365.521 2.611 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000730106596 996834944 /nfs/dbraw/zinc/83/49/44/996834944.db2.gz LMOSMAQLEDCXKP-NRFANRHFSA-N 2 1 353.510 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000730106596 996834959 /nfs/dbraw/zinc/83/49/59/996834959.db2.gz LMOSMAQLEDCXKP-NRFANRHFSA-N 2 1 353.510 2.776 20 30 FFEDMP N#Cc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001144080767 998000201 /nfs/dbraw/zinc/00/02/01/998000201.db2.gz XQUKETUIWWBFAP-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001085203955 999157762 /nfs/dbraw/zinc/15/77/62/999157762.db2.gz MBKMCPPROXQMHU-SJFSSXKUSA-N 2 1 372.488 2.555 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085332449 999378478 /nfs/dbraw/zinc/37/84/78/999378478.db2.gz YUJWPVLAVOQPHV-NSISKUIASA-N 2 1 354.498 2.560 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](CC)CC ZINC001109709722 1000878328 /nfs/dbraw/zinc/87/83/28/1000878328.db2.gz VCPZRLYISQEVPI-MHTWAQMVSA-N 2 1 368.525 2.900 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000746865866 1002240824 /nfs/dbraw/zinc/24/08/24/1002240824.db2.gz LVRREAVMSWRJPQ-JTHBVZDNSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000746865866 1002240829 /nfs/dbraw/zinc/24/08/29/1002240829.db2.gz LVRREAVMSWRJPQ-JTHBVZDNSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746865866 1002240839 /nfs/dbraw/zinc/24/08/39/1002240839.db2.gz LVRREAVMSWRJPQ-JTHBVZDNSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746865866 1002240847 /nfs/dbraw/zinc/24/08/47/1002240847.db2.gz LVRREAVMSWRJPQ-JTHBVZDNSA-N 2 1 365.521 2.599 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101362 1002408044 /nfs/dbraw/zinc/40/80/44/1002408044.db2.gz YYMLHXYXUWRYBF-QUCCMNQESA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101362 1002408056 /nfs/dbraw/zinc/40/80/56/1002408056.db2.gz YYMLHXYXUWRYBF-QUCCMNQESA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303020 1002635241 /nfs/dbraw/zinc/63/52/41/1002635241.db2.gz NMYCUQOMDGPRHV-AOIWGVFYSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303020 1002635245 /nfs/dbraw/zinc/63/52/45/1002635245.db2.gz NMYCUQOMDGPRHV-AOIWGVFYSA-N 2 1 353.938 2.640 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2cccc(C#N)c2)CC1 ZINC001197682909 1004319993 /nfs/dbraw/zinc/31/99/93/1004319993.db2.gz KPHYTBDWUNXEJQ-UHFFFAOYSA-N 2 1 352.467 2.514 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001086720542 1006264840 /nfs/dbraw/zinc/26/48/40/1006264840.db2.gz BAPLEAHIGCNJQR-BWAGFHJFSA-N 2 1 367.537 2.721 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001086720542 1006264849 /nfs/dbraw/zinc/26/48/49/1006264849.db2.gz BAPLEAHIGCNJQR-BWAGFHJFSA-N 2 1 367.537 2.721 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857148014 1008070870 /nfs/dbraw/zinc/07/08/70/1008070870.db2.gz FRXHMGJEXWMYDE-FQEVSTJZSA-N 2 1 356.514 2.803 20 30 FFEDMP C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000886361805 1008650962 /nfs/dbraw/zinc/65/09/62/1008650962.db2.gz WFAAWTVDDVPYIO-MOPGFXCFSA-N 2 1 353.510 2.501 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413083 1011097007 /nfs/dbraw/zinc/09/70/07/1011097007.db2.gz VTMKGXBWNWFQHG-ZHALLVOQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413083 1011097015 /nfs/dbraw/zinc/09/70/15/1011097015.db2.gz VTMKGXBWNWFQHG-ZHALLVOQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413083 1011097019 /nfs/dbraw/zinc/09/70/19/1011097019.db2.gz VTMKGXBWNWFQHG-ZHALLVOQSA-N 2 1 353.938 2.973 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccccc3C#N)CC1)C2 ZINC001172114766 1011645478 /nfs/dbraw/zinc/64/54/78/1011645478.db2.gz PXASOGCMNHHWIG-OWZKRDHZSA-N 2 1 366.509 2.768 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccccc3C#N)CC1)C2 ZINC001172114766 1011645491 /nfs/dbraw/zinc/64/54/91/1011645491.db2.gz PXASOGCMNHHWIG-OWZKRDHZSA-N 2 1 366.509 2.768 20 30 FFEDMP COc1ccccc1[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCC1 ZINC000303792920 1012431647 /nfs/dbraw/zinc/43/16/47/1012431647.db2.gz YVDXDVIGKCXWJN-FQEVSTJZSA-N 2 1 366.509 2.979 20 30 FFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000303898964 1012508425 /nfs/dbraw/zinc/50/84/25/1012508425.db2.gz VUZOWFLJRSGLJR-INIZCTEOSA-N 2 1 372.435 2.735 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000304763700 1012871435 /nfs/dbraw/zinc/87/14/35/1012871435.db2.gz XDLDGDNWXVIZMP-VAMGGRTRSA-N 2 1 358.530 2.851 20 30 FFEDMP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000304796201 1012874343 /nfs/dbraw/zinc/87/43/43/1012874343.db2.gz MQQYERZFNZPKNY-UHFFFAOYSA-N 2 1 357.546 2.980 20 30 FFEDMP C=CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758074 1032820249 /nfs/dbraw/zinc/82/02/49/1032820249.db2.gz UPRMAJANCYQYKK-IFMALSPDSA-N 2 1 353.510 2.585 20 30 FFEDMP C=CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758074 1032820267 /nfs/dbraw/zinc/82/02/67/1032820267.db2.gz UPRMAJANCYQYKK-IFMALSPDSA-N 2 1 353.510 2.585 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218037400 1032965503 /nfs/dbraw/zinc/96/55/03/1032965503.db2.gz LSKLJEXVSMOLFJ-CEXWTWQISA-N 2 1 371.541 2.548 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001122543898 1023331123 /nfs/dbraw/zinc/33/11/23/1023331123.db2.gz PIPHWPSIUXEMQW-OALUTQOASA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001122543898 1023331133 /nfs/dbraw/zinc/33/11/33/1023331133.db2.gz PIPHWPSIUXEMQW-OALUTQOASA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001122543898 1023331135 /nfs/dbraw/zinc/33/11/35/1023331135.db2.gz PIPHWPSIUXEMQW-OALUTQOASA-N 2 1 374.577 2.832 20 30 FFEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000195466322 1025023361 /nfs/dbraw/zinc/02/33/61/1025023361.db2.gz WHDWOUQGIQQYCC-PMACEKPBSA-N 2 1 370.541 2.818 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375760 1025842756 /nfs/dbraw/zinc/84/27/56/1025842756.db2.gz ZWSFPHVVVYBMNE-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375760 1025842762 /nfs/dbraw/zinc/84/27/62/1025842762.db2.gz ZWSFPHVVVYBMNE-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375760 1025842772 /nfs/dbraw/zinc/84/27/72/1025842772.db2.gz ZWSFPHVVVYBMNE-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360399 1027306324 /nfs/dbraw/zinc/30/63/24/1027306324.db2.gz CEHXNKVVBRFHGS-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360399 1027306341 /nfs/dbraw/zinc/30/63/41/1027306341.db2.gz CEHXNKVVBRFHGS-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360399 1027306357 /nfs/dbraw/zinc/30/63/57/1027306357.db2.gz CEHXNKVVBRFHGS-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378836 1027351956 /nfs/dbraw/zinc/35/19/56/1027351956.db2.gz NGMARUPAEBWSEH-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001162810332 1028664433 /nfs/dbraw/zinc/66/44/33/1028664433.db2.gz JFIMVJMAQWBLMM-LEWJYISDSA-N 2 1 357.542 2.954 20 30 FFEDMP C[NH+]1CCC(C[NH+]2CCN(c3nc(C#N)c(Cl)cc3Cl)CC2)CC1 ZINC001157848584 1029674718 /nfs/dbraw/zinc/67/47/18/1029674718.db2.gz WFPXZQIHCIHKNW-UHFFFAOYSA-N 2 1 368.312 2.724 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001111902488 1029702664 /nfs/dbraw/zinc/70/26/64/1029702664.db2.gz DXCVDCAMKYMOIU-UNMCSNQZSA-N 2 1 371.525 2.535 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001111949073 1029787350 /nfs/dbraw/zinc/78/73/50/1029787350.db2.gz MRJSVIBGXKRMHT-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001112125121 1030056337 /nfs/dbraw/zinc/05/63/37/1030056337.db2.gz PNTJCNKJFBDSFB-BZUAXINKSA-N 2 1 361.452 2.662 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412360 1031723248 /nfs/dbraw/zinc/72/32/48/1031723248.db2.gz KNRRMOINXJDCMH-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205573183 1031843255 /nfs/dbraw/zinc/84/32/55/1031843255.db2.gz VWBXFLBEUWEUAI-SXLOBPIMSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205625733 1031882380 /nfs/dbraw/zinc/88/23/80/1031882380.db2.gz NUGFNIKGILMDRL-HFSMHLIXSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205626067 1031883361 /nfs/dbraw/zinc/88/33/61/1031883361.db2.gz VPOFTSIHZZGGSP-DFQSSKMNSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1ccccc1F ZINC001205663579 1031915143 /nfs/dbraw/zinc/91/51/43/1031915143.db2.gz DBIMDBNVWUHVRO-AZUAARDMSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205685704 1031932997 /nfs/dbraw/zinc/93/29/97/1031932997.db2.gz FILDNISSEGOORY-IMFGXOCKSA-N 2 1 359.489 2.628 20 30 FFEDMP C[C@@H](C#N)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871061 1033390228 /nfs/dbraw/zinc/39/02/28/1033390228.db2.gz GWRSSLCHVUYQSU-LAUBAEHRSA-N 2 1 374.488 2.974 20 30 FFEDMP C[C@@H](C#N)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871061 1033390234 /nfs/dbraw/zinc/39/02/34/1033390234.db2.gz GWRSSLCHVUYQSU-LAUBAEHRSA-N 2 1 374.488 2.974 20 30 FFEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]21 ZINC001223691231 1033551108 /nfs/dbraw/zinc/55/11/08/1033551108.db2.gz XSHIXXLTYCXKOL-UXHICEINSA-N 2 1 365.562 2.624 20 30 FFEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223691231 1033551120 /nfs/dbraw/zinc/55/11/20/1033551120.db2.gz XSHIXXLTYCXKOL-UXHICEINSA-N 2 1 365.562 2.624 20 30 FFEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223691231 1033551128 /nfs/dbraw/zinc/55/11/28/1033551128.db2.gz XSHIXXLTYCXKOL-UXHICEINSA-N 2 1 365.562 2.624 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223963037 1033662193 /nfs/dbraw/zinc/66/21/93/1033662193.db2.gz ZTNAYIHJNSAXFD-NQIIRXRSSA-N 2 1 368.525 2.713 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223963037 1033662196 /nfs/dbraw/zinc/66/21/96/1033662196.db2.gz ZTNAYIHJNSAXFD-NQIIRXRSSA-N 2 1 368.525 2.713 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223963037 1033662197 /nfs/dbraw/zinc/66/21/97/1033662197.db2.gz ZTNAYIHJNSAXFD-NQIIRXRSSA-N 2 1 368.525 2.713 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001138626568 1034478439 /nfs/dbraw/zinc/47/84/39/1034478439.db2.gz KHEVVSLIAJZCCF-CTNGQTDRSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001138626568 1034478448 /nfs/dbraw/zinc/47/84/48/1034478448.db2.gz KHEVVSLIAJZCCF-CTNGQTDRSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001138626568 1034478456 /nfs/dbraw/zinc/47/84/56/1034478456.db2.gz KHEVVSLIAJZCCF-CTNGQTDRSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001138626568 1034478464 /nfs/dbraw/zinc/47/84/64/1034478464.db2.gz KHEVVSLIAJZCCF-CTNGQTDRSA-N 2 1 366.509 2.808 20 30 FFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771599 1034639380 /nfs/dbraw/zinc/63/93/80/1034639380.db2.gz WEPZWELGDVTKIK-YADHBBJMSA-N 2 1 374.525 2.953 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001226876577 1034870358 /nfs/dbraw/zinc/87/03/58/1034870358.db2.gz FJAJKXFWROKNSS-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139032364 1034896783 /nfs/dbraw/zinc/89/67/83/1034896783.db2.gz LQCAGQSCNVDEBL-TZIWHRDSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139032364 1034896793 /nfs/dbraw/zinc/89/67/93/1034896793.db2.gz LQCAGQSCNVDEBL-TZIWHRDSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139032364 1034896804 /nfs/dbraw/zinc/89/68/04/1034896804.db2.gz LQCAGQSCNVDEBL-TZIWHRDSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139032364 1034896815 /nfs/dbraw/zinc/89/68/15/1034896815.db2.gz LQCAGQSCNVDEBL-TZIWHRDSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139032364 1034896821 /nfs/dbraw/zinc/89/68/21/1034896821.db2.gz LQCAGQSCNVDEBL-TZIWHRDSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001229280817 1036593341 /nfs/dbraw/zinc/59/33/41/1036593341.db2.gz PBNMLPGAAJRIDC-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229852921 1036935998 /nfs/dbraw/zinc/93/59/98/1036935998.db2.gz ORFWSKJUBFUDDA-HUUCEWRRSA-N 2 1 360.340 2.644 20 30 FFEDMP C(#Cc1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)s1 ZINC001235035179 1037316892 /nfs/dbraw/zinc/31/68/92/1037316892.db2.gz CLFXHXHOINZKFF-WIYYLYMNSA-N 2 1 352.503 2.958 20 30 FFEDMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001207483156 1037478755 /nfs/dbraw/zinc/47/87/55/1037478755.db2.gz IHANIHYKTYOSTI-JOCHJYFZSA-N 2 1 366.509 2.719 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001208174529 1038112287 /nfs/dbraw/zinc/11/22/87/1038112287.db2.gz FEAYVABWDSUFJK-GOSISDBHSA-N 2 1 356.514 2.813 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001208174529 1038112292 /nfs/dbraw/zinc/11/22/92/1038112292.db2.gz FEAYVABWDSUFJK-GOSISDBHSA-N 2 1 356.514 2.813 20 30 FFEDMP CN1CCN(c2cccc(CN3CC(Oc4ccccc4C#N)C3)c2)CC1 ZINC001236891748 1038336623 /nfs/dbraw/zinc/33/66/23/1038336623.db2.gz AJCIKDQPQQSEGR-UHFFFAOYSA-N 2 1 362.477 2.573 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](CC)CC ZINC001208571641 1038418630 /nfs/dbraw/zinc/41/86/30/1038418630.db2.gz PEALCTLCZDJAHF-OLMNPRSZSA-N 2 1 362.543 2.677 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)[NH+](CC)CC ZINC001208571641 1038418637 /nfs/dbraw/zinc/41/86/37/1038418637.db2.gz PEALCTLCZDJAHF-OLMNPRSZSA-N 2 1 362.543 2.677 20 30 FFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(C#N)cc1)C2 ZINC001208922865 1038590035 /nfs/dbraw/zinc/59/00/35/1038590035.db2.gz LQNFPFDOMGNVLK-VXKWHMMOSA-N 2 1 353.510 2.781 20 30 FFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208922865 1038590038 /nfs/dbraw/zinc/59/00/38/1038590038.db2.gz LQNFPFDOMGNVLK-VXKWHMMOSA-N 2 1 353.510 2.781 20 30 FFEDMP CCOC(=O)C[C@@]1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]C1 ZINC001246133324 1039252469 /nfs/dbraw/zinc/25/24/69/1039252469.db2.gz VDTJYVRRTDASMU-GRERDSQWSA-N 2 1 355.482 2.859 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1F ZINC001278638259 1039357406 /nfs/dbraw/zinc/35/74/06/1039357406.db2.gz PQGPQMLIMRFORJ-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2c2ccccc2)C1=O ZINC001246699451 1039441021 /nfs/dbraw/zinc/44/10/21/1039441021.db2.gz IELPZDPSICSRQW-YWMYMHMLSA-N 2 1 365.521 2.774 20 30 FFEDMP CCCCCCCC[C@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252130855 1039443915 /nfs/dbraw/zinc/44/39/15/1039443915.db2.gz ZISVDOCIUSWJGU-FQEVSTJZSA-N 2 1 367.578 2.584 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001252595313 1039605369 /nfs/dbraw/zinc/60/53/69/1039605369.db2.gz GLIKTMYOTKCJPU-FQEVSTJZSA-N 2 1 374.525 2.689 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001252595313 1039605379 /nfs/dbraw/zinc/60/53/79/1039605379.db2.gz GLIKTMYOTKCJPU-FQEVSTJZSA-N 2 1 374.525 2.689 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219226 1040344238 /nfs/dbraw/zinc/34/42/38/1040344238.db2.gz HTPZPGOIZWDMNM-DFQSSKMNSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219226 1040344257 /nfs/dbraw/zinc/34/42/57/1040344257.db2.gz HTPZPGOIZWDMNM-DFQSSKMNSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219226 1040344277 /nfs/dbraw/zinc/34/42/77/1040344277.db2.gz HTPZPGOIZWDMNM-DFQSSKMNSA-N 2 1 365.562 2.811 20 30 FFEDMP CC(=O)N1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254421160 1040710322 /nfs/dbraw/zinc/71/03/22/1040710322.db2.gz JBFDPKPURZSONP-MXVIHJGJSA-N 2 1 354.498 2.641 20 30 FFEDMP C=CCN1CC[C@@]2(C[NH+]([C@H]3CCC[N@H+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001254518422 1040766984 /nfs/dbraw/zinc/76/69/84/1040766984.db2.gz MSCXFBIBXJQFHI-XJUOHMSHSA-N 2 1 367.537 2.975 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001254518422 1040766989 /nfs/dbraw/zinc/76/69/89/1040766989.db2.gz MSCXFBIBXJQFHI-XJUOHMSHSA-N 2 1 367.537 2.975 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001254518422 1040766997 /nfs/dbraw/zinc/76/69/97/1040766997.db2.gz MSCXFBIBXJQFHI-XJUOHMSHSA-N 2 1 367.537 2.975 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CC1 ZINC001263080933 1042090976 /nfs/dbraw/zinc/09/09/76/1042090976.db2.gz MVJPJBNBPOCJSY-OYRHEFFESA-N 2 1 360.546 2.544 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096806 1042623197 /nfs/dbraw/zinc/62/31/97/1042623197.db2.gz SFGOBJOQUWGISP-LVCYWYKZSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096806 1042623198 /nfs/dbraw/zinc/62/31/98/1042623198.db2.gz SFGOBJOQUWGISP-LVCYWYKZSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096806 1042623200 /nfs/dbraw/zinc/62/32/00/1042623200.db2.gz SFGOBJOQUWGISP-LVCYWYKZSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264596118 1042732589 /nfs/dbraw/zinc/73/25/89/1042732589.db2.gz IVWBBQXEGLAVHF-AQNXPRMDSA-N 2 1 361.505 2.872 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264596118 1042732593 /nfs/dbraw/zinc/73/25/93/1042732593.db2.gz IVWBBQXEGLAVHF-AQNXPRMDSA-N 2 1 361.505 2.872 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001279471270 1043154031 /nfs/dbraw/zinc/15/40/31/1043154031.db2.gz XCDMJTOTQIRYQP-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC001237462655 1043179946 /nfs/dbraw/zinc/17/99/46/1043179946.db2.gz IRHRUCVPOAVYOW-IBGZPJMESA-N 2 1 366.465 2.802 20 30 FFEDMP CCc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1C#N ZINC001238761528 1043876654 /nfs/dbraw/zinc/87/66/54/1043876654.db2.gz DEAIPDYVZLNQAO-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1C#N ZINC001238761528 1043876668 /nfs/dbraw/zinc/87/66/68/1043876668.db2.gz DEAIPDYVZLNQAO-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1C#N ZINC001238761528 1043876686 /nfs/dbraw/zinc/87/66/86/1043876686.db2.gz DEAIPDYVZLNQAO-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP CCc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1C#N ZINC001238761528 1043876704 /nfs/dbraw/zinc/87/67/04/1043876704.db2.gz DEAIPDYVZLNQAO-FGZHOGPDSA-N 2 1 363.509 2.808 20 30 FFEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001279981448 1044029886 /nfs/dbraw/zinc/02/98/86/1044029886.db2.gz ZWUWGSXCLPJDEP-CTXDPNEZSA-N 2 1 351.498 2.686 20 30 FFEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001279981448 1044029896 /nfs/dbraw/zinc/02/98/96/1044029896.db2.gz ZWUWGSXCLPJDEP-CTXDPNEZSA-N 2 1 351.498 2.686 20 30 FFEDMP C=CCCC[N@H+]1CCc2nc(C(=O)N(C)CC[NH+](CC)CC)ccc2C1 ZINC001280121077 1044250933 /nfs/dbraw/zinc/25/09/33/1044250933.db2.gz QCCAKXOTCUGBKG-UHFFFAOYSA-N 2 1 358.530 2.820 20 30 FFEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001339880192 1050298354 /nfs/dbraw/zinc/29/83/54/1050298354.db2.gz MNTZTGKEXWGUAG-UHFFFAOYSA-N 2 1 372.561 2.728 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001341749604 1050367382 /nfs/dbraw/zinc/36/73/82/1050367382.db2.gz IKSSFCAYDQWTIK-DLBZAZTESA-N 2 1 371.533 2.521 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001341749604 1050367385 /nfs/dbraw/zinc/36/73/85/1050367385.db2.gz IKSSFCAYDQWTIK-DLBZAZTESA-N 2 1 371.533 2.521 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177698 1051802563 /nfs/dbraw/zinc/80/25/63/1051802563.db2.gz GLYHJZBSGYRWMO-XWSJACJDSA-N 2 1 361.917 2.873 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCC[NH2+]1 ZINC001349893763 1055526106 /nfs/dbraw/zinc/52/61/06/1055526106.db2.gz NRFVYMRDLPRXLU-TZIWHRDSSA-N 2 1 354.498 2.608 20 30 FFEDMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339083944 1056077523 /nfs/dbraw/zinc/07/75/23/1056077523.db2.gz WPPLCKQIZGMTAT-UHFFFAOYSA-N 2 1 358.534 2.515 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500499675 1058507172 /nfs/dbraw/zinc/50/71/72/1058507172.db2.gz ZUCUMDULRQTSGQ-ZNLUXHQJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500499675 1058507187 /nfs/dbraw/zinc/50/71/87/1058507187.db2.gz ZUCUMDULRQTSGQ-ZNLUXHQJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500499675 1058507202 /nfs/dbraw/zinc/50/72/02/1058507202.db2.gz ZUCUMDULRQTSGQ-ZNLUXHQJSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001100690643 1059627941 /nfs/dbraw/zinc/62/79/41/1059627941.db2.gz NCQKUNWHVBWKBM-HXJFWZBSSA-N 2 1 355.526 2.782 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(OC)c1O ZINC001461349070 1061297043 /nfs/dbraw/zinc/29/70/43/1061297043.db2.gz YUTWMWZURBSPCW-RBUKOAKNSA-N 2 1 360.498 2.597 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC001477493393 1061720689 /nfs/dbraw/zinc/72/06/89/1061720689.db2.gz VKVORNHXPDYANX-NRFANRHFSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC001477493393 1061720711 /nfs/dbraw/zinc/72/07/11/1061720711.db2.gz VKVORNHXPDYANX-NRFANRHFSA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001479670346 1062777886 /nfs/dbraw/zinc/77/78/86/1062777886.db2.gz GTYATHWCEOKIPB-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001479670346 1062777896 /nfs/dbraw/zinc/77/78/96/1062777896.db2.gz GTYATHWCEOKIPB-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871535 1064051450 /nfs/dbraw/zinc/05/14/50/1064051450.db2.gz CBLZBYCNOCCNII-SFTDATJTSA-N 2 1 368.525 2.610 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001468871535 1064051456 /nfs/dbraw/zinc/05/14/56/1064051456.db2.gz CBLZBYCNOCCNII-SFTDATJTSA-N 2 1 368.525 2.610 20 30 FFEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001574903422 1078091519 /nfs/dbraw/zinc/09/15/19/1078091519.db2.gz QMTGOHCTQVGYDQ-QGZVFWFLSA-N 2 1 351.535 2.600 20 30 FFEDMP CC(C)N(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001575680916 1078163268 /nfs/dbraw/zinc/16/32/68/1078163268.db2.gz DEMWVVADKDKMQK-WOJBJXKFSA-N 2 1 356.514 2.909 20 30 FFEDMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001565909806 1076795843 /nfs/dbraw/zinc/79/58/43/1076795843.db2.gz UFFDKVSRXYGRMJ-VQTJNVASSA-N 2 1 370.541 2.911 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001568551919 1077100457 /nfs/dbraw/zinc/10/04/57/1077100457.db2.gz YDBCHQWKRNKMRP-RTBURBONSA-N 2 1 373.541 2.876 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001568551919 1077100463 /nfs/dbraw/zinc/10/04/63/1077100463.db2.gz YDBCHQWKRNKMRP-RTBURBONSA-N 2 1 373.541 2.876 20 30 FFEDMP C#CCCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001574569351 1078020986 /nfs/dbraw/zinc/02/09/86/1078020986.db2.gz KBHMUVDPHJNGRG-HDICACEKSA-N 2 1 372.561 2.597 20 30 FFEDMP COc1ccc(C#N)cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000158106259 508657709 /nfs/dbraw/zinc/65/77/09/508657709.db2.gz GAEONJJCAFZUIC-CALCHBBNSA-N 2 1 357.498 2.888 20 30 FFEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158286066 508682844 /nfs/dbraw/zinc/68/28/44/508682844.db2.gz YGMWVINFXQHWBY-QWRGUYRKSA-N 2 1 363.453 2.556 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000176966019 509787845 /nfs/dbraw/zinc/78/78/45/509787845.db2.gz PQLBJCSJTVOTMV-KRWDZBQOSA-N 2 1 368.506 2.607 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000180991734 510226496 /nfs/dbraw/zinc/22/64/96/510226496.db2.gz DQZHVYCSAQGKIH-OAQYLSRUSA-N 2 1 350.462 2.555 20 30 FFEDMP CC(C)(CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000266221450 510468111 /nfs/dbraw/zinc/46/81/11/510468111.db2.gz RFRUIROEGGNMQE-LJQANCHMSA-N 2 1 356.514 2.803 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000188041474 510564620 /nfs/dbraw/zinc/56/46/20/510564620.db2.gz AKPFXCACACUQAD-OAQYLSRUSA-N 2 1 370.541 2.847 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000285495158 510930032 /nfs/dbraw/zinc/93/00/32/510930032.db2.gz MHBOIIOOZCBUIM-XNMUZJSGSA-N 2 1 374.525 2.720 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000285495158 510930035 /nfs/dbraw/zinc/93/00/35/510930035.db2.gz MHBOIIOOZCBUIM-XNMUZJSGSA-N 2 1 374.525 2.720 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000285495158 510930040 /nfs/dbraw/zinc/93/00/40/510930040.db2.gz MHBOIIOOZCBUIM-XNMUZJSGSA-N 2 1 374.525 2.720 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000330309059 510961280 /nfs/dbraw/zinc/96/12/80/510961280.db2.gz TYPHEMRHVBZAPN-UHFFFAOYSA-N 2 1 358.490 2.790 20 30 FFEDMP N#CCCn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)n1 ZINC000279384700 511064581 /nfs/dbraw/zinc/06/45/81/511064581.db2.gz KQTHENDJASWKEZ-GOSISDBHSA-N 2 1 364.497 2.776 20 30 FFEDMP N#CCCn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)n1 ZINC000279384700 511064588 /nfs/dbraw/zinc/06/45/88/511064588.db2.gz KQTHENDJASWKEZ-GOSISDBHSA-N 2 1 364.497 2.776 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299002277 511480441 /nfs/dbraw/zinc/48/04/41/511480441.db2.gz QLQVJEBFJUOFOL-MDKPJZGXSA-N 2 1 366.509 2.906 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299002277 511480445 /nfs/dbraw/zinc/48/04/45/511480445.db2.gz QLQVJEBFJUOFOL-MDKPJZGXSA-N 2 1 366.509 2.906 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897180 511763260 /nfs/dbraw/zinc/76/32/60/511763260.db2.gz GHTHHALPRKZWSU-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(OC)c1 ZINC000292897180 511763265 /nfs/dbraw/zinc/76/32/65/511763265.db2.gz GHTHHALPRKZWSU-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897180 511763278 /nfs/dbraw/zinc/76/32/78/511763278.db2.gz GHTHHALPRKZWSU-DENIHFKCSA-N 2 1 374.525 2.581 20 30 FFEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000285057065 511983925 /nfs/dbraw/zinc/98/39/25/511983925.db2.gz LPHGVTQMRVBTCT-QFBILLFUSA-N 2 1 354.502 2.792 20 30 FFEDMP C[NH+]1CCC(C)(CNC([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329518915 512062295 /nfs/dbraw/zinc/06/22/95/512062295.db2.gz PXJLFKXSCUEYLH-HNNXBMFYSA-N 2 1 361.534 2.731 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369589899 512499041 /nfs/dbraw/zinc/49/90/41/512499041.db2.gz AXPUBLSPXVWGEA-HXUWFJFHSA-N 2 1 353.510 2.503 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475453792 514670294 /nfs/dbraw/zinc/67/02/94/514670294.db2.gz ZLDYVHJCNSTELT-SFTDATJTSA-N 2 1 370.541 2.948 20 30 FFEDMP C=CCN1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000499600958 515385280 /nfs/dbraw/zinc/38/52/80/515385280.db2.gz RYSGAEADFKVJAE-FQEVSTJZSA-N 2 1 353.510 2.761 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000519222234 516928566 /nfs/dbraw/zinc/92/85/66/516928566.db2.gz WLSFEAONSKQKCG-YLJYHZDGSA-N 2 1 350.551 2.873 20 30 FFEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000534221729 517794900 /nfs/dbraw/zinc/79/49/00/517794900.db2.gz UWOYSNMGQXTSKZ-INIZCTEOSA-N 2 1 351.458 2.807 20 30 FFEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000534221729 517794906 /nfs/dbraw/zinc/79/49/06/517794906.db2.gz UWOYSNMGQXTSKZ-INIZCTEOSA-N 2 1 351.458 2.807 20 30 FFEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108216 518432579 /nfs/dbraw/zinc/43/25/79/518432579.db2.gz QYWVIGUKMDOPBD-MJGOQNOKSA-N 2 1 374.492 2.991 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000582720196 518890494 /nfs/dbraw/zinc/89/04/94/518890494.db2.gz DPSXNCKFNCIGBF-HNNXBMFYSA-N 2 1 359.297 2.973 20 30 FFEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582779760 518918003 /nfs/dbraw/zinc/91/80/03/518918003.db2.gz XXUPWPQFLTZPMS-YVWKXTFCSA-N 2 1 354.498 2.954 20 30 FFEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878501 519944573 /nfs/dbraw/zinc/94/45/73/519944573.db2.gz XNNNASZPQPVAML-IDYZSHNDSA-N 2 1 360.546 2.723 20 30 FFEDMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437410 519964299 /nfs/dbraw/zinc/96/42/99/519964299.db2.gz JPAXVTQCIOWDCX-MISYRCLQSA-N 2 1 356.514 2.909 20 30 FFEDMP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OCCCC#N ZINC000592528431 520440869 /nfs/dbraw/zinc/44/08/69/520440869.db2.gz RPXSOAJIBLOMTR-UHFFFAOYSA-N 2 1 373.497 2.674 20 30 FFEDMP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OCCCC#N ZINC000592528431 520440879 /nfs/dbraw/zinc/44/08/79/520440879.db2.gz RPXSOAJIBLOMTR-UHFFFAOYSA-N 2 1 373.497 2.674 20 30 FFEDMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599365503 521176976 /nfs/dbraw/zinc/17/69/76/521176976.db2.gz DOTVTUJEICLZQW-CEWLAPEOSA-N 2 1 371.525 2.558 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000596926154 521386546 /nfs/dbraw/zinc/38/65/46/521386546.db2.gz NHZMAEQSIUYGRD-NRFANRHFSA-N 2 1 370.541 2.635 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000594283379 521535273 /nfs/dbraw/zinc/53/52/73/521535273.db2.gz GVMHWKZKDMOVNF-UHFFFAOYSA-N 2 1 372.488 2.510 20 30 FFEDMP CC(C)[N@H+](C)Cc1nn(-c2cc(C#N)c3ccccc3n2)c2c1CC[NH2+]C2 ZINC001164679775 719638892 /nfs/dbraw/zinc/63/88/92/719638892.db2.gz MRXWKSBPOGLSMI-UHFFFAOYSA-N 2 1 360.465 2.778 20 30 FFEDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C#N)c3ccccc3n2)c2c1CC[NH2+]C2 ZINC001164679775 719638898 /nfs/dbraw/zinc/63/88/98/719638898.db2.gz MRXWKSBPOGLSMI-UHFFFAOYSA-N 2 1 360.465 2.778 20 30 FFEDMP C[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261955203 729655835 /nfs/dbraw/zinc/65/58/35/729655835.db2.gz IOCISUBUPMAEPX-OAHLLOKOSA-N 2 1 353.942 2.806 20 30 FFEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262057222 729658121 /nfs/dbraw/zinc/65/81/21/729658121.db2.gz XWFAAVUWTJAVPG-XJKSGUPXSA-N 2 1 370.925 2.835 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CC[C@H](COC)C1 ZINC000262429696 729666101 /nfs/dbraw/zinc/66/61/01/729666101.db2.gz SEWVSUBGOAYCDF-BQFCYCMXSA-N 2 1 364.559 2.675 20 30 FFEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCCCC1 ZINC000303907881 729735888 /nfs/dbraw/zinc/73/58/88/729735888.db2.gz XEVMWHFCIJFLFF-KRWDZBQOSA-N 2 1 362.543 2.586 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305729038 729738180 /nfs/dbraw/zinc/73/81/80/729738180.db2.gz SVMUECIUXXOERC-CQSZACIVSA-N 2 1 352.885 2.899 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758733 732277517 /nfs/dbraw/zinc/27/75/17/732277517.db2.gz MEKDIBCBLKTZMT-AZUAARDMSA-N 2 1 361.917 2.971 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000876986716 732307435 /nfs/dbraw/zinc/30/74/35/732307435.db2.gz KUGSDCYDQJLBTH-GOSISDBHSA-N 2 1 361.873 2.998 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000876986716 732307442 /nfs/dbraw/zinc/30/74/42/732307442.db2.gz KUGSDCYDQJLBTH-GOSISDBHSA-N 2 1 361.873 2.998 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(C#N)cnc2Cl)[C@@H](C)C1 ZINC000877030033 732314521 /nfs/dbraw/zinc/31/45/21/732314521.db2.gz WLFRFFHKXXEXFZ-WMLDXEAASA-N 2 1 350.894 2.833 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccccc2C#N)CC1 ZINC000919719266 737873843 /nfs/dbraw/zinc/87/38/43/737873843.db2.gz RYBVZJJRUNWSJW-UHFFFAOYSA-N 2 1 352.467 2.514 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001112472923 959097743 /nfs/dbraw/zinc/09/77/43/959097743.db2.gz ODJFYXDXDQHVNR-UWJYYQICSA-N 2 1 356.514 2.556 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347429 963695914 /nfs/dbraw/zinc/69/59/14/963695914.db2.gz ZLURTFVLHDJBKU-UAFMIMERSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347429 963695921 /nfs/dbraw/zinc/69/59/21/963695921.db2.gz ZLURTFVLHDJBKU-UAFMIMERSA-N 2 1 367.578 2.750 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000873294258 1013465555 /nfs/dbraw/zinc/46/55/55/1013465555.db2.gz RDFDVBKZUPRNCI-QHCPKHFHSA-N 2 1 360.505 2.827 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211615664 968025558 /nfs/dbraw/zinc/02/55/58/968025558.db2.gz AMPDGSWFAJBGAV-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518516 968523746 /nfs/dbraw/zinc/52/37/46/968523746.db2.gz NFDSIRHJFZICII-IPJJNNNSSA-N 2 1 370.541 2.938 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3F)[C@@H]2CC)CC1 ZINC001087840090 970521643 /nfs/dbraw/zinc/52/16/43/970521643.db2.gz HIAQJLDILOGELM-LEWJYISDSA-N 2 1 371.500 2.640 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001087443970 977597352 /nfs/dbraw/zinc/59/73/52/977597352.db2.gz PQXMJFCDPIRSIY-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087443970 977597355 /nfs/dbraw/zinc/59/73/55/977597355.db2.gz PQXMJFCDPIRSIY-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087443970 977597362 /nfs/dbraw/zinc/59/73/62/977597362.db2.gz PQXMJFCDPIRSIY-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001087460234 978004787 /nfs/dbraw/zinc/00/47/87/978004787.db2.gz XZBFCIUKQHRJMH-RTBURBONSA-N 2 1 356.445 2.573 20 30 FFEDMP C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001087460234 978004799 /nfs/dbraw/zinc/00/47/99/978004799.db2.gz XZBFCIUKQHRJMH-RTBURBONSA-N 2 1 356.445 2.573 20 30 FFEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262796693 979932288 /nfs/dbraw/zinc/93/22/88/979932288.db2.gz PUMVMINKLOFRCQ-IEBWSBKVSA-N 2 1 351.498 2.891 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)c(F)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579091 981292454 /nfs/dbraw/zinc/29/24/54/981292454.db2.gz NAIYKKSLFGHUNO-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088579091 981292460 /nfs/dbraw/zinc/29/24/60/981292460.db2.gz NAIYKKSLFGHUNO-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579091 981292465 /nfs/dbraw/zinc/29/24/65/981292465.db2.gz NAIYKKSLFGHUNO-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)CC[NH+]1C ZINC001088579091 981292474 /nfs/dbraw/zinc/29/24/74/981292474.db2.gz NAIYKKSLFGHUNO-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)CC[NH+]1C ZINC001088579091 981292484 /nfs/dbraw/zinc/29/24/84/981292484.db2.gz NAIYKKSLFGHUNO-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620297 981860329 /nfs/dbraw/zinc/86/03/29/981860329.db2.gz CWROFNQFWPCYPM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620297 981860338 /nfs/dbraw/zinc/86/03/38/981860338.db2.gz CWROFNQFWPCYPM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620297 981860346 /nfs/dbraw/zinc/86/03/46/981860346.db2.gz CWROFNQFWPCYPM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)C1 ZINC001088620297 981860351 /nfs/dbraw/zinc/86/03/51/981860351.db2.gz CWROFNQFWPCYPM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000997597732 985583055 /nfs/dbraw/zinc/58/30/55/985583055.db2.gz YRGRYNAUPURPIQ-NNMXDRDESA-N 2 1 367.537 2.595 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)[C@@H]2C)CC1 ZINC001089059261 986138570 /nfs/dbraw/zinc/13/85/70/986138570.db2.gz GNUGLHYTZQOWMN-NQIIRXRSSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CCN(C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330320 987444902 /nfs/dbraw/zinc/44/49/02/987444902.db2.gz PTZRXQMLIPXLDV-QUCCMNQESA-N 2 1 368.525 2.561 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(-c2ccccc2)cc1 ZINC000153252431 987809134 /nfs/dbraw/zinc/80/91/34/987809134.db2.gz GKWKGAVXSKYXHI-UHFFFAOYSA-N 2 1 366.509 2.523 20 30 FFEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1OC ZINC000922388390 988532990 /nfs/dbraw/zinc/53/29/90/988532990.db2.gz PLGQMEKKDRUPHU-MCEIDBOGSA-N 2 1 374.525 2.829 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106672082 988619671 /nfs/dbraw/zinc/61/96/71/988619671.db2.gz DEEJBKKTNURMFU-TZIWHRDSSA-N 2 1 369.553 2.700 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000923336107 991075408 /nfs/dbraw/zinc/07/54/08/991075408.db2.gz QDTDMTAGZJYZEU-RTWAWAEBSA-N 2 1 350.466 2.631 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000923336107 991075417 /nfs/dbraw/zinc/07/54/17/991075417.db2.gz QDTDMTAGZJYZEU-RTWAWAEBSA-N 2 1 350.466 2.631 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000923336110 991075860 /nfs/dbraw/zinc/07/58/60/991075860.db2.gz QDTDMTAGZJYZEU-SFTDATJTSA-N 2 1 350.466 2.631 20 30 FFEDMP N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000923336110 991075867 /nfs/dbraw/zinc/07/58/67/991075867.db2.gz QDTDMTAGZJYZEU-SFTDATJTSA-N 2 1 350.466 2.631 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198772 991873308 /nfs/dbraw/zinc/87/33/08/991873308.db2.gz QZZMYLGZIGULGK-FFZOFVMBSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198910 991873711 /nfs/dbraw/zinc/87/37/11/991873711.db2.gz YMJQMHQLDQSTDW-FFZOFVMBSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001079310644 992010772 /nfs/dbraw/zinc/01/07/72/992010772.db2.gz BDIPWSWSPWWUEQ-JQHSSLGASA-N 2 1 367.896 2.802 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080017163 992652901 /nfs/dbraw/zinc/65/29/01/992652901.db2.gz AHUKVUVHXRREMQ-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080017163 992652907 /nfs/dbraw/zinc/65/29/07/992652907.db2.gz AHUKVUVHXRREMQ-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080017163 992652912 /nfs/dbraw/zinc/65/29/12/992652912.db2.gz AHUKVUVHXRREMQ-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC(C)C)c1ccccc1OC ZINC000184649282 992908014 /nfs/dbraw/zinc/90/80/14/992908014.db2.gz GAOZMSAVSLEBFE-APWZRJJASA-N 2 1 362.518 2.550 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)CC1 ZINC001080704853 993295154 /nfs/dbraw/zinc/29/51/54/993295154.db2.gz ORBGCHUNFZHADG-DYESRHJHSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)CC1 ZINC001080704853 993295161 /nfs/dbraw/zinc/29/51/61/993295161.db2.gz ORBGCHUNFZHADG-DYESRHJHSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1c1ccccc1 ZINC001081137780 993694472 /nfs/dbraw/zinc/69/44/72/993694472.db2.gz PGLBNWSHCDUVSL-AZUAARDMSA-N 2 1 368.481 2.510 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001131595479 994442210 /nfs/dbraw/zinc/44/22/10/994442210.db2.gz ZKUVYUCGVBDSKO-CTNGQTDRSA-N 2 1 365.562 2.670 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001082568869 994964002 /nfs/dbraw/zinc/96/40/02/994964002.db2.gz WHESFILUTFHOTP-YHYVQYDKSA-N 2 1 365.521 2.598 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001082568869 994964014 /nfs/dbraw/zinc/96/40/14/994964014.db2.gz WHESFILUTFHOTP-YHYVQYDKSA-N 2 1 365.521 2.598 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090871089 997500817 /nfs/dbraw/zinc/50/08/17/997500817.db2.gz RAKZLHSQKZFROJ-HBMCJLEFSA-N 2 1 371.525 2.638 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032958 998733149 /nfs/dbraw/zinc/73/31/49/998733149.db2.gz KOUXMNRZJGGTRE-FUHIMQAGSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072574 998853295 /nfs/dbraw/zinc/85/32/95/998853295.db2.gz HVCMJFSACPZKEL-KAGYGMCKSA-N 2 1 355.526 2.962 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072574 998853300 /nfs/dbraw/zinc/85/33/00/998853300.db2.gz HVCMJFSACPZKEL-KAGYGMCKSA-N 2 1 355.526 2.962 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085432565 999517915 /nfs/dbraw/zinc/51/79/15/999517915.db2.gz FECFQPKFGVGTDB-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689769 1001084754 /nfs/dbraw/zinc/08/47/54/1001084754.db2.gz DMRXBFRSNZUCKG-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689769 1001084760 /nfs/dbraw/zinc/08/47/60/1001084760.db2.gz DMRXBFRSNZUCKG-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689769 1001084764 /nfs/dbraw/zinc/08/47/64/1001084764.db2.gz DMRXBFRSNZUCKG-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091689769 1001084769 /nfs/dbraw/zinc/08/47/69/1001084769.db2.gz DMRXBFRSNZUCKG-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001112557760 1001468628 /nfs/dbraw/zinc/46/86/28/1001468628.db2.gz XOTJIZVDEIZWCY-UNMCSNQZSA-N 2 1 368.525 2.618 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001112586362 1001538372 /nfs/dbraw/zinc/53/83/72/1001538372.db2.gz VUGVCGBCSHFRIP-UNMCSNQZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086592109 1002524824 /nfs/dbraw/zinc/52/48/24/1002524824.db2.gz WESHAMSIWMFSHK-XUVXKRRUSA-N 2 1 364.493 2.921 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086592109 1002524834 /nfs/dbraw/zinc/52/48/34/1002524834.db2.gz WESHAMSIWMFSHK-XUVXKRRUSA-N 2 1 364.493 2.921 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197659204 1004304467 /nfs/dbraw/zinc/30/44/67/1004304467.db2.gz SYWAICSBNHHASH-VAMGGRTRSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001197659204 1004304476 /nfs/dbraw/zinc/30/44/76/1004304476.db2.gz SYWAICSBNHHASH-VAMGGRTRSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001197659204 1004304481 /nfs/dbraw/zinc/30/44/81/1004304481.db2.gz SYWAICSBNHHASH-VAMGGRTRSA-N 2 1 365.562 2.549 20 30 FFEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC001197700912 1004328897 /nfs/dbraw/zinc/32/88/97/1004328897.db2.gz AUTCPTRYTBOSCC-XLIONFOSSA-N 2 1 373.928 2.938 20 30 FFEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001197700912 1004328915 /nfs/dbraw/zinc/32/89/15/1004328915.db2.gz AUTCPTRYTBOSCC-XLIONFOSSA-N 2 1 373.928 2.938 20 30 FFEDMP Cc1c[nH+]cn1CC(=O)OCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000860856407 1009176372 /nfs/dbraw/zinc/17/63/72/1009176372.db2.gz JGXXNEFVQVCWDF-UHFFFAOYSA-N 2 1 352.438 2.541 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Oc2ccccc2)cc1 ZINC000104171273 1009931319 /nfs/dbraw/zinc/93/13/19/1009931319.db2.gz ZQRLMOACTSEZOV-UHFFFAOYSA-N 2 1 368.481 2.606 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001093224852 1010168016 /nfs/dbraw/zinc/16/80/16/1010168016.db2.gz FBFNRPLBXLQETN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001093224852 1010168024 /nfs/dbraw/zinc/16/80/24/1010168024.db2.gz FBFNRPLBXLQETN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001093224852 1010168036 /nfs/dbraw/zinc/16/80/36/1010168036.db2.gz FBFNRPLBXLQETN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000863555980 1010253674 /nfs/dbraw/zinc/25/36/74/1010253674.db2.gz YRUZVFFDWMJEQG-RTWAWAEBSA-N 2 1 371.525 2.560 20 30 FFEDMP CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001181982102 1010326284 /nfs/dbraw/zinc/32/62/84/1010326284.db2.gz GCCMQJKDRZNJEY-NJDAHSKKSA-N 2 1 368.525 2.887 20 30 FFEDMP CC1(C)C[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171974383 1011573657 /nfs/dbraw/zinc/57/36/57/1011573657.db2.gz FLIRVUCNNJXBFN-LJQANCHMSA-N 2 1 364.493 2.934 20 30 FFEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001172257613 1011733773 /nfs/dbraw/zinc/73/37/73/1011733773.db2.gz PKEOBJYDYBPKMV-NRFANRHFSA-N 2 1 357.498 2.902 20 30 FFEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001172257613 1011733787 /nfs/dbraw/zinc/73/37/87/1011733787.db2.gz PKEOBJYDYBPKMV-NRFANRHFSA-N 2 1 357.498 2.902 20 30 FFEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172307028 1011738168 /nfs/dbraw/zinc/73/81/68/1011738168.db2.gz ZNOPQNBZSUOSCN-GOSISDBHSA-N 2 1 363.509 2.840 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313234 1011743252 /nfs/dbraw/zinc/74/32/52/1011743252.db2.gz SFXIMEOSGSPXTJ-FXAWDEMLSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313234 1011743260 /nfs/dbraw/zinc/74/32/60/1011743260.db2.gz SFXIMEOSGSPXTJ-FXAWDEMLSA-N 2 1 369.509 2.839 20 30 FFEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980266 1012150263 /nfs/dbraw/zinc/15/02/63/1012150263.db2.gz VTNMRPFIIPUEEQ-BDXSIMOUSA-N 2 1 364.534 2.986 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000303789896 1012431345 /nfs/dbraw/zinc/43/13/45/1012431345.db2.gz VUGBWQHGHGYFOT-LJQANCHMSA-N 2 1 362.518 2.553 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCc2ccccc2)c1 ZINC000303906762 1012515643 /nfs/dbraw/zinc/51/56/43/1012515643.db2.gz WHMQJFPCTYJUFA-IBGZPJMESA-N 2 1 367.497 2.549 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303979217 1012552154 /nfs/dbraw/zinc/55/21/54/1012552154.db2.gz MWQPNGPRXVEHDL-OAQYLSRUSA-N 3 1 371.573 2.951 20 30 FFEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173594647 1012764747 /nfs/dbraw/zinc/76/47/47/1012764747.db2.gz JDKFTTYLUJVFBO-MFRDALKKSA-N 2 1 370.545 2.924 20 30 FFEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173594647 1012764762 /nfs/dbraw/zinc/76/47/62/1012764762.db2.gz JDKFTTYLUJVFBO-MFRDALKKSA-N 2 1 370.545 2.924 20 30 FFEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173594647 1012764773 /nfs/dbraw/zinc/76/47/73/1012764773.db2.gz JDKFTTYLUJVFBO-MFRDALKKSA-N 2 1 370.545 2.924 20 30 FFEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173594647 1012764787 /nfs/dbraw/zinc/76/47/87/1012764787.db2.gz JDKFTTYLUJVFBO-MFRDALKKSA-N 2 1 370.545 2.924 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001218298868 1033090403 /nfs/dbraw/zinc/09/04/03/1033090403.db2.gz KEGUDFRPKQJTMS-VQTJNVASSA-N 2 1 368.481 2.606 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000752102582 1023063621 /nfs/dbraw/zinc/06/36/21/1023063621.db2.gz LXBAUGBTVPSMMI-KJJMTIBFSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000752102582 1023063628 /nfs/dbraw/zinc/06/36/28/1023063628.db2.gz LXBAUGBTVPSMMI-KJJMTIBFSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000752102582 1023063637 /nfs/dbraw/zinc/06/36/37/1023063637.db2.gz LXBAUGBTVPSMMI-KJJMTIBFSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000752102582 1023063642 /nfs/dbraw/zinc/06/36/42/1023063642.db2.gz LXBAUGBTVPSMMI-KJJMTIBFSA-N 2 1 365.521 2.501 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001122514071 1023314154 /nfs/dbraw/zinc/31/41/54/1023314154.db2.gz NKPFLBPGLFXREZ-QZTJIDSGSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796706 1023374986 /nfs/dbraw/zinc/37/49/86/1023374986.db2.gz OUEQCZLIEAUDQN-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796706 1023374995 /nfs/dbraw/zinc/37/49/95/1023374995.db2.gz OUEQCZLIEAUDQN-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796706 1023375002 /nfs/dbraw/zinc/37/50/02/1023375002.db2.gz OUEQCZLIEAUDQN-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001123596469 1023891884 /nfs/dbraw/zinc/89/18/84/1023891884.db2.gz OHBHBQWXVGRURO-OAQYLSRUSA-N 2 1 371.500 2.784 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001123596469 1023891891 /nfs/dbraw/zinc/89/18/91/1023891891.db2.gz OHBHBQWXVGRURO-OAQYLSRUSA-N 2 1 371.500 2.784 20 30 FFEDMP C[N@H+]1CCCC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000758094852 1023925601 /nfs/dbraw/zinc/92/56/01/1023925601.db2.gz GXLUIEMAJYUNJR-UHFFFAOYSA-N 2 1 373.570 2.587 20 30 FFEDMP C=CCN1CC[C@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001276302139 1024295723 /nfs/dbraw/zinc/29/57/23/1024295723.db2.gz KZXGASDCQCZYIY-UNMCSNQZSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCN1CC[C@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001276302139 1024295730 /nfs/dbraw/zinc/29/57/30/1024295730.db2.gz KZXGASDCQCZYIY-UNMCSNQZSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC001276303417 1024933979 /nfs/dbraw/zinc/93/39/79/1024933979.db2.gz WLHOHDTZVREAFA-IRLDBZIGSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001276303417 1024933989 /nfs/dbraw/zinc/93/39/89/1024933989.db2.gz WLHOHDTZVREAFA-IRLDBZIGSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001276303417 1024933997 /nfs/dbraw/zinc/93/39/97/1024933997.db2.gz WLHOHDTZVREAFA-IRLDBZIGSA-N 2 1 353.510 2.761 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189662 1025554796 /nfs/dbraw/zinc/55/47/96/1025554796.db2.gz FNXUXNNZQSMCRT-NVXWUHKLSA-N 2 1 355.954 2.935 20 30 FFEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](CC)CC ZINC001102356551 1025797892 /nfs/dbraw/zinc/79/78/92/1025797892.db2.gz OVVIVMKBRQBEAI-UIFIKXQLSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[NH+]2CCC(C)(C#N)CC2)c1C ZINC001141575004 1026604131 /nfs/dbraw/zinc/60/41/31/1026604131.db2.gz LGGFIHXKYBQPNY-UHFFFAOYSA-N 2 1 373.545 2.829 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083739 1026944373 /nfs/dbraw/zinc/94/43/73/1026944373.db2.gz HLOVTOFXDJQEHT-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001103456687 1027516955 /nfs/dbraw/zinc/51/69/55/1027516955.db2.gz DNCDOYRZKIPUQM-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001103456687 1027516964 /nfs/dbraw/zinc/51/69/64/1027516964.db2.gz DNCDOYRZKIPUQM-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001103456687 1027516975 /nfs/dbraw/zinc/51/69/75/1027516975.db2.gz DNCDOYRZKIPUQM-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001103634561 1027839146 /nfs/dbraw/zinc/83/91/46/1027839146.db2.gz XQJBVPWQRWGUJM-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634561 1027839170 /nfs/dbraw/zinc/83/91/70/1027839170.db2.gz XQJBVPWQRWGUJM-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634561 1027839191 /nfs/dbraw/zinc/83/91/91/1027839191.db2.gz XQJBVPWQRWGUJM-HMXCVIKNSA-N 2 1 355.526 2.777 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001153501614 1027909916 /nfs/dbraw/zinc/90/99/16/1027909916.db2.gz OMALXBCVQRYLKF-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2C#N)CC[N@H+]1C ZINC001153501614 1027909925 /nfs/dbraw/zinc/90/99/25/1027909925.db2.gz OMALXBCVQRYLKF-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccccc2C#N)CC[NH+]1C ZINC001153501614 1027909933 /nfs/dbraw/zinc/90/99/33/1027909933.db2.gz OMALXBCVQRYLKF-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccccc2C#N)CC[NH+]1C ZINC001153501614 1027909942 /nfs/dbraw/zinc/90/99/42/1027909942.db2.gz OMALXBCVQRYLKF-LSTHTHJFSA-N 2 1 356.514 2.615 20 30 FFEDMP N#Cc1cccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155358992 1028693327 /nfs/dbraw/zinc/69/33/27/1028693327.db2.gz WOYDVVNVAFRRBA-HXUWFJFHSA-N 2 1 361.493 2.867 20 30 FFEDMP Cc1cccc2nc(Cl)c(C#N)c(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155389581 1028715415 /nfs/dbraw/zinc/71/54/15/1028715415.db2.gz ATTLKZLDGUUUGD-HNNXBMFYSA-N 2 1 369.900 2.928 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112117074 1030042043 /nfs/dbraw/zinc/04/20/43/1030042043.db2.gz PZHXZVIYWPMUPX-ARFHVFGLSA-N 2 1 361.452 2.806 20 30 FFEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291611 1030488593 /nfs/dbraw/zinc/48/85/93/1030488593.db2.gz RPCHFPVDRNHOER-ZJOUEHCJSA-N 2 1 365.562 2.506 20 30 FFEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291611 1030488601 /nfs/dbraw/zinc/48/86/01/1030488601.db2.gz RPCHFPVDRNHOER-ZJOUEHCJSA-N 2 1 365.562 2.506 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410509 1030763239 /nfs/dbraw/zinc/76/32/39/1030763239.db2.gz BMLRRPKMYMMRDZ-SCTDSRPQSA-N 2 1 353.938 2.832 20 30 FFEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCCC1 ZINC001115742168 1031964412 /nfs/dbraw/zinc/96/44/12/1031964412.db2.gz SAXXVGLFRLJTML-UXHICEINSA-N 2 1 355.526 2.927 20 30 FFEDMP C#C[C@](C)([NH3+])C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001219371861 1033622317 /nfs/dbraw/zinc/62/23/17/1033622317.db2.gz MBJAODTVAUFVRI-NRFANRHFSA-N 2 1 356.385 2.854 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001220877165 1034440074 /nfs/dbraw/zinc/44/00/74/1034440074.db2.gz PWILYNSCYWVQJB-LJQANCHMSA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC001220877165 1034440083 /nfs/dbraw/zinc/44/00/83/1034440083.db2.gz PWILYNSCYWVQJB-LJQANCHMSA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC001220877165 1034440096 /nfs/dbraw/zinc/44/00/96/1034440096.db2.gz PWILYNSCYWVQJB-LJQANCHMSA-N 2 1 370.541 2.815 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001226773191 1034830725 /nfs/dbraw/zinc/83/07/25/1034830725.db2.gz DODHSBUVQVUMOS-VAMGGRTRSA-N 2 1 363.546 2.613 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001227157990 1034953845 /nfs/dbraw/zinc/95/38/45/1034953845.db2.gz BCOFHFIOCTWNHY-RTBURBONSA-N 2 1 356.514 2.806 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001227165123 1034958513 /nfs/dbraw/zinc/95/85/13/1034958513.db2.gz JVWYPURZIHHEIO-IAGOWNOFSA-N 2 1 362.543 2.867 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764048 1035050053 /nfs/dbraw/zinc/05/00/53/1035050053.db2.gz QQGSRVRETFHPRO-AQNXPRMDSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764048 1035050059 /nfs/dbraw/zinc/05/00/59/1035050059.db2.gz QQGSRVRETFHPRO-AQNXPRMDSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764048 1035050063 /nfs/dbraw/zinc/05/00/63/1035050063.db2.gz QQGSRVRETFHPRO-AQNXPRMDSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764048 1035050070 /nfs/dbraw/zinc/05/00/70/1035050070.db2.gz QQGSRVRETFHPRO-AQNXPRMDSA-N 2 1 365.562 2.599 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)nc1)CC2 ZINC001140541723 1035595160 /nfs/dbraw/zinc/59/51/60/1035595160.db2.gz RMDXTZQXUZXRNO-IBGZPJMESA-N 2 1 366.465 2.802 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000836489054 1036584696 /nfs/dbraw/zinc/58/46/96/1036584696.db2.gz VAAINXVUJJGTPA-PZJWPPBQSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489054 1036584713 /nfs/dbraw/zinc/58/47/13/1036584713.db2.gz VAAINXVUJJGTPA-PZJWPPBQSA-N 2 1 370.541 2.541 20 30 FFEDMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001207483187 1037480345 /nfs/dbraw/zinc/48/03/45/1037480345.db2.gz IHANIHYKTYOSTI-QFIPXVFZSA-N 2 1 366.509 2.719 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+](C3CC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001256203745 1038429773 /nfs/dbraw/zinc/42/97/73/1038429773.db2.gz MRYARFGGMVOMAI-IRLDBZIGSA-N 2 1 353.510 2.585 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+](C3CC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001256203745 1038429782 /nfs/dbraw/zinc/42/97/82/1038429782.db2.gz MRYARFGGMVOMAI-IRLDBZIGSA-N 2 1 353.510 2.585 20 30 FFEDMP C=CCOC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)Cc2nnn(CC3CC3)c21 ZINC001208596217 1038432869 /nfs/dbraw/zinc/43/28/69/1038432869.db2.gz GVBUGEAJIJNNLA-LJQANCHMSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)Cc2nnn(CC3CC3)c21 ZINC001208596217 1038432876 /nfs/dbraw/zinc/43/28/76/1038432876.db2.gz GVBUGEAJIJNNLA-LJQANCHMSA-N 2 1 373.545 2.522 20 30 FFEDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001208854594 1038557346 /nfs/dbraw/zinc/55/73/46/1038557346.db2.gz QZKCGFABBNZGAA-FQEVSTJZSA-N 2 1 369.509 2.840 20 30 FFEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCCc3cccc(C#N)c3)CC2)C1 ZINC001208854594 1038557351 /nfs/dbraw/zinc/55/73/51/1038557351.db2.gz QZKCGFABBNZGAA-FQEVSTJZSA-N 2 1 369.509 2.840 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246028833 1039203064 /nfs/dbraw/zinc/20/30/64/1039203064.db2.gz LDGYNBCQABEZLO-ZVDOUQERSA-N 2 1 366.546 2.739 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246043126 1039211743 /nfs/dbraw/zinc/21/17/43/1039211743.db2.gz ABGCRUSEGCOZKJ-WSTZPKSXSA-N 2 1 354.535 2.573 20 30 FFEDMP CCOC(=O)C[C@]1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]C1 ZINC001246133325 1039252941 /nfs/dbraw/zinc/25/29/41/1039252941.db2.gz VDTJYVRRTDASMU-GZNCHQMQSA-N 2 1 355.482 2.859 20 30 FFEDMP COc1ccc(Cn2nc(C(=[NH2+])N[C@H]3CCC[NH2+]C3)c3ccccc32)cc1 ZINC001246486452 1039367662 /nfs/dbraw/zinc/36/76/62/1039367662.db2.gz BPQALUALRXNBPX-INIZCTEOSA-N 2 1 363.465 2.551 20 30 FFEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001252462171 1039543798 /nfs/dbraw/zinc/54/37/98/1039543798.db2.gz FDDWWJQVBRSQFI-KRWDZBQOSA-N 2 1 350.528 2.600 20 30 FFEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909456 1039576264 /nfs/dbraw/zinc/57/62/64/1039576264.db2.gz DUCJWJDUYBAWTN-MJGOQNOKSA-N 2 1 363.550 2.910 20 30 FFEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001258909456 1039576274 /nfs/dbraw/zinc/57/62/74/1039576274.db2.gz DUCJWJDUYBAWTN-MJGOQNOKSA-N 2 1 363.550 2.910 20 30 FFEDMP N#Cc1ccccc1OCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949437 1039858791 /nfs/dbraw/zinc/85/87/91/1039858791.db2.gz NAEHNEMHNGGFQX-QFIPXVFZSA-N 2 1 365.477 2.554 20 30 FFEDMP N#Cc1ccccc1OCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949437 1039858814 /nfs/dbraw/zinc/85/88/14/1039858814.db2.gz NAEHNEMHNGGFQX-QFIPXVFZSA-N 2 1 365.477 2.554 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#Cc3ccccc3)C2)C1 ZINC001215381362 1041766095 /nfs/dbraw/zinc/76/60/95/1041766095.db2.gz UZKSZPLBZWTVLM-BAGYTPMASA-N 2 1 367.537 2.597 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001263887154 1042511102 /nfs/dbraw/zinc/51/11/02/1042511102.db2.gz LWOSHLSXGLCGPD-FCHUYYIVSA-N 2 1 367.537 2.860 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001264767485 1042821064 /nfs/dbraw/zinc/82/10/64/1042821064.db2.gz ONKQEKPATWOCTG-LEWJYISDSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CCCC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001279238534 1042961088 /nfs/dbraw/zinc/96/10/88/1042961088.db2.gz DAHBHMBHLBARCD-UNMCSNQZSA-N 2 1 357.542 2.589 20 30 FFEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC001237465939 1043182134 /nfs/dbraw/zinc/18/21/34/1043182134.db2.gz WKXCXVWOMONYLZ-GIVPXCGWSA-N 2 1 364.497 2.523 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001318805082 1044884303 /nfs/dbraw/zinc/88/43/03/1044884303.db2.gz OVODZVJMCDTXID-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001316797872 1045013739 /nfs/dbraw/zinc/01/37/39/1045013739.db2.gz RZGQZCYOUGZPTI-APWZRJJASA-N 2 1 361.917 2.612 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001316797872 1045013753 /nfs/dbraw/zinc/01/37/53/1045013753.db2.gz RZGQZCYOUGZPTI-APWZRJJASA-N 2 1 361.917 2.612 20 30 FFEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001316797872 1045013768 /nfs/dbraw/zinc/01/37/68/1045013768.db2.gz RZGQZCYOUGZPTI-APWZRJJASA-N 2 1 361.917 2.612 20 30 FFEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001316797872 1045013776 /nfs/dbraw/zinc/01/37/76/1045013776.db2.gz RZGQZCYOUGZPTI-APWZRJJASA-N 2 1 361.917 2.612 20 30 FFEDMP C#CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000847398852 1055700326 /nfs/dbraw/zinc/70/03/26/1055700326.db2.gz APQNWHVHLDIVLL-UHFFFAOYSA-N 2 1 359.558 2.977 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC001200376741 1056524135 /nfs/dbraw/zinc/52/41/35/1056524135.db2.gz DXODHSKEWJGZDO-LJQANCHMSA-N 2 1 360.498 2.993 20 30 FFEDMP C[N@H+]1CCN(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1(C)C ZINC000849108265 1056763429 /nfs/dbraw/zinc/76/34/29/1056763429.db2.gz OQHAPHDRRZVZOV-UHFFFAOYSA-N 2 1 357.546 2.966 20 30 FFEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001479401420 1062347165 /nfs/dbraw/zinc/34/71/65/1062347165.db2.gz NCQKUNWHVBWKBM-WLRLJWMZSA-N 2 1 355.526 2.782 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001464690996 1062765358 /nfs/dbraw/zinc/76/53/58/1062765358.db2.gz CYYAMYZFNBJHQE-LJQANCHMSA-N 2 1 356.514 2.663 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001524412115 1062828833 /nfs/dbraw/zinc/82/88/33/1062828833.db2.gz HMFNCFMVLFVMCE-NRFANRHFSA-N 2 1 374.488 2.922 20 30 FFEDMP C=C(C)CN(CC)c1nnc(C2CC[NH2+]CC2)n1C[C@@H]1CC[N@H+](CCC)C1 ZINC001574835007 1078086634 /nfs/dbraw/zinc/08/66/34/1078086634.db2.gz JSDUTEAVUIOVHG-GOSISDBHSA-N 2 1 374.577 2.879 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000113314885 508260577 /nfs/dbraw/zinc/26/05/77/508260577.db2.gz FSSMAMLDEABSIH-UHFFFAOYSA-N 2 1 350.462 2.821 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000106257123 508398546 /nfs/dbraw/zinc/39/85/46/508398546.db2.gz XTUBGQLGDGTZMN-UHFFFAOYSA-N 2 1 358.530 2.848 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000106259083 508398563 /nfs/dbraw/zinc/39/85/63/508398563.db2.gz AIFFWQYGZQRCIJ-UHFFFAOYSA-N 2 1 370.541 2.775 20 30 FFEDMP N#CC1(c2ccccc2)CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000128089013 508545974 /nfs/dbraw/zinc/54/59/74/508545974.db2.gz BQTLLBMFNPELQV-INAZGPRKSA-N 2 1 353.510 2.968 20 30 FFEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842442 508683491 /nfs/dbraw/zinc/68/34/91/508683491.db2.gz NNTJVGXWHXTZCF-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842442 508683493 /nfs/dbraw/zinc/68/34/93/508683493.db2.gz NNTJVGXWHXTZCF-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842442 508683496 /nfs/dbraw/zinc/68/34/96/508683496.db2.gz NNTJVGXWHXTZCF-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371471514 512422262 /nfs/dbraw/zinc/42/22/62/512422262.db2.gz VBPMWSLVSADAEH-CMKODMSKSA-N 2 1 360.498 2.944 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371471514 512422266 /nfs/dbraw/zinc/42/22/66/512422266.db2.gz VBPMWSLVSADAEH-CMKODMSKSA-N 2 1 360.498 2.944 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000150746082 508884447 /nfs/dbraw/zinc/88/44/47/508884447.db2.gz GMIXKEZLSQANIM-RXVVDRJESA-N 2 1 370.541 2.989 20 30 FFEDMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N(C)CCC#N ZINC000161184954 509082579 /nfs/dbraw/zinc/08/25/79/509082579.db2.gz YBGSOQHJZMWGMK-QGZVFWFLSA-N 2 1 371.529 2.637 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621746 509338335 /nfs/dbraw/zinc/33/83/35/509338335.db2.gz LKFULTKWKQHDOX-MSOLQXFVSA-N 2 1 362.562 2.979 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261664672 510019017 /nfs/dbraw/zinc/01/90/17/510019017.db2.gz BFVFCSHCJFUOCM-SWLSCSKDSA-N 2 1 359.499 2.551 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1CCc2ccccc2C1 ZINC000262206819 510209245 /nfs/dbraw/zinc/20/92/45/510209245.db2.gz JFXJEMRBEZQKQE-HXUWFJFHSA-N 2 1 374.492 2.798 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000177904360 510318130 /nfs/dbraw/zinc/31/81/30/510318130.db2.gz DULJYIDSXRKFKD-KRWDZBQOSA-N 2 1 361.465 2.577 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281716 510405717 /nfs/dbraw/zinc/40/57/17/510405717.db2.gz CECLYNWSEUVHBD-HMXCVIKNSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281716 510405721 /nfs/dbraw/zinc/40/57/21/510405721.db2.gz CECLYNWSEUVHBD-HMXCVIKNSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281716 510405724 /nfs/dbraw/zinc/40/57/24/510405724.db2.gz CECLYNWSEUVHBD-HMXCVIKNSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281716 510405728 /nfs/dbraw/zinc/40/57/28/510405728.db2.gz CECLYNWSEUVHBD-HMXCVIKNSA-N 2 1 371.525 2.884 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000330009344 510900086 /nfs/dbraw/zinc/90/00/86/510900086.db2.gz GFEPRFDEJPQHOL-QGZVFWFLSA-N 2 1 372.517 2.895 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000330009344 510900090 /nfs/dbraw/zinc/90/00/90/510900090.db2.gz GFEPRFDEJPQHOL-QGZVFWFLSA-N 2 1 372.517 2.895 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000278440256 510992786 /nfs/dbraw/zinc/99/27/86/510992786.db2.gz DYXCNZNMIGVXGE-UHFFFAOYSA-N 2 1 372.513 2.983 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278755004 511006605 /nfs/dbraw/zinc/00/66/05/511006605.db2.gz WPOSOYUQJWBNMF-UHFFFAOYSA-N 2 1 364.497 2.989 20 30 FFEDMP N#CCCn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)n1 ZINC000279384705 511064896 /nfs/dbraw/zinc/06/48/96/511064896.db2.gz KQTHENDJASWKEZ-SFHVURJKSA-N 2 1 364.497 2.776 20 30 FFEDMP N#CCCn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)n1 ZINC000279384705 511064901 /nfs/dbraw/zinc/06/49/01/511064901.db2.gz KQTHENDJASWKEZ-SFHVURJKSA-N 2 1 364.497 2.776 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000292999387 511800968 /nfs/dbraw/zinc/80/09/68/511800968.db2.gz OSEWYNWTAODEFM-JOCHJYFZSA-N 2 1 368.525 2.968 20 30 FFEDMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000329744186 512093136 /nfs/dbraw/zinc/09/31/36/512093136.db2.gz QNFLEVSCVQTGOL-RTBURBONSA-N 2 1 371.529 2.963 20 30 FFEDMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000329744186 512093140 /nfs/dbraw/zinc/09/31/40/512093140.db2.gz QNFLEVSCVQTGOL-RTBURBONSA-N 2 1 371.529 2.963 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000420396688 514129010 /nfs/dbraw/zinc/12/90/10/514129010.db2.gz WALGQKNWFAFXGY-NQIIRXRSSA-N 2 1 359.514 2.692 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961850 514868921 /nfs/dbraw/zinc/86/89/21/514868921.db2.gz ABMBHLGCEGBWFP-IBGZPJMESA-N 2 1 357.502 2.747 20 30 FFEDMP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481048590 515185603 /nfs/dbraw/zinc/18/56/03/515185603.db2.gz CXSHGCPCMLGNTB-KRWDZBQOSA-N 2 1 372.513 2.604 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789791 516579762 /nfs/dbraw/zinc/57/97/62/516579762.db2.gz DYZWMHFBMDNHLY-OALUTQOASA-N 2 1 350.551 2.668 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000526056752 517318103 /nfs/dbraw/zinc/31/81/03/517318103.db2.gz OHDKBEBSECKUIS-QZTJIDSGSA-N 2 1 360.546 2.914 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000557490278 518033310 /nfs/dbraw/zinc/03/33/10/518033310.db2.gz ZLLVMRUYFXWRMW-UHFFFAOYSA-N 2 1 368.525 2.713 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC[C@H]1C1CCOCC1 ZINC000576535612 518640702 /nfs/dbraw/zinc/64/07/02/518640702.db2.gz VSVMQIPNOSYCQN-SZPZYZBQSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@H]1C1CCOCC1)C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000576535612 518640706 /nfs/dbraw/zinc/64/07/06/518640706.db2.gz VSVMQIPNOSYCQN-SZPZYZBQSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@H+]1CCC[C@H]1C1CCOCC1)C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000576535612 518640710 /nfs/dbraw/zinc/64/07/10/518640710.db2.gz VSVMQIPNOSYCQN-SZPZYZBQSA-N 2 1 360.542 2.772 20 30 FFEDMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000604461157 520567951 /nfs/dbraw/zinc/56/79/51/520567951.db2.gz UCXCYDYKZIXSMZ-GOSISDBHSA-N 2 1 371.529 2.506 20 30 FFEDMP N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000595611597 520592533 /nfs/dbraw/zinc/59/25/33/520592533.db2.gz LWUVGTUZCXETID-IBGZPJMESA-N 2 1 354.498 2.524 20 30 FFEDMP N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000595611597 520592539 /nfs/dbraw/zinc/59/25/39/520592539.db2.gz LWUVGTUZCXETID-IBGZPJMESA-N 2 1 354.498 2.524 20 30 FFEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC2)cs1 ZINC000598720559 520809337 /nfs/dbraw/zinc/80/93/37/520809337.db2.gz OZBUBPWYKDUYNR-QGZVFWFLSA-N 2 1 364.559 2.808 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593882353 521270224 /nfs/dbraw/zinc/27/02/24/521270224.db2.gz IRLQYFFRERLGQM-HXUWFJFHSA-N 2 1 354.498 2.513 20 30 FFEDMP CCC(C#N)(CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000599637414 521348491 /nfs/dbraw/zinc/34/84/91/521348491.db2.gz ORBVBWNVIXTNMB-UHFFFAOYSA-N 2 1 362.562 2.971 20 30 FFEDMP CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658672 521370786 /nfs/dbraw/zinc/37/07/86/521370786.db2.gz VZWCBJIUZIGTIZ-UHFFFAOYSA-N 2 1 356.514 2.913 20 30 FFEDMP CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658672 521370792 /nfs/dbraw/zinc/37/07/92/521370792.db2.gz VZWCBJIUZIGTIZ-UHFFFAOYSA-N 2 1 356.514 2.913 20 30 FFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602596960 521431488 /nfs/dbraw/zinc/43/14/88/521431488.db2.gz OMQBSCRJCMFZLK-WIYYLYMNSA-N 2 1 371.525 2.832 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)CC2)CC1 ZINC000594296429 521544598 /nfs/dbraw/zinc/54/45/98/521544598.db2.gz NLSLFYABJHXZOL-UTKZUKDTSA-N 2 1 360.546 2.771 20 30 FFEDMP C=CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000625702105 523631823 /nfs/dbraw/zinc/63/18/23/523631823.db2.gz CUZUHATTYZJVMB-IBGZPJMESA-N 2 1 355.526 2.974 20 30 FFEDMP C[NH+]=C(NCc1ccc(Br)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261809888 729653951 /nfs/dbraw/zinc/65/39/51/729653951.db2.gz SLAWSEQXXQQULK-GXFFZTMASA-N 2 1 371.348 2.658 20 30 FFEDMP C[NH+]=C(NCc1scnc1C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262807147 729671793 /nfs/dbraw/zinc/67/17/93/729671793.db2.gz QIEDHFPTOGMBCW-NVXWUHKLSA-N 2 1 357.527 2.952 20 30 FFEDMP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000263062300 729678050 /nfs/dbraw/zinc/67/80/50/729678050.db2.gz FQOXQERWLGEZHX-HOTGVXAUSA-N 2 1 363.303 2.512 20 30 FFEDMP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)Oc1ccccc1Cl ZINC000304672535 729736617 /nfs/dbraw/zinc/73/66/17/729736617.db2.gz CIRJXJISJVRJLJ-CABCVRRESA-N 2 1 352.910 2.886 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1Cl ZINC000305759130 729738157 /nfs/dbraw/zinc/73/81/57/729738157.db2.gz BNGQIMAMKARFNH-OAHLLOKOSA-N 2 1 373.328 2.899 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000876715671 732271763 /nfs/dbraw/zinc/27/17/63/732271763.db2.gz PFWWUSBIBMHYJX-MRXNPFEDSA-N 2 1 356.297 2.844 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000876715671 732271765 /nfs/dbraw/zinc/27/17/65/732271765.db2.gz PFWWUSBIBMHYJX-MRXNPFEDSA-N 2 1 356.297 2.844 20 30 FFEDMP C(#CC[N@H+]1CC[C@@H](c2nccs2)C1)CN1CC[C@@H](c2nccs2)C1 ZINC000880319087 732887931 /nfs/dbraw/zinc/88/79/31/732887931.db2.gz ASRWQHIUOJJHAQ-HZPDHXFCSA-N 2 1 358.536 2.882 20 30 FFEDMP C(#CC[N@@H+]1CC[C@@H](c2nccs2)C1)C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319087 732887935 /nfs/dbraw/zinc/88/79/35/732887935.db2.gz ASRWQHIUOJJHAQ-HZPDHXFCSA-N 2 1 358.536 2.882 20 30 FFEDMP C(#CC[N@H+]1CC[C@@H](c2nccs2)C1)C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319087 732887938 /nfs/dbraw/zinc/88/79/38/732887938.db2.gz ASRWQHIUOJJHAQ-HZPDHXFCSA-N 2 1 358.536 2.882 20 30 FFEDMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530730 738298510 /nfs/dbraw/zinc/29/85/10/738298510.db2.gz ITPBQGFAFDVZPU-RGOKHQFPSA-N 2 1 366.296 2.945 20 30 FFEDMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530730 738298512 /nfs/dbraw/zinc/29/85/12/738298512.db2.gz ITPBQGFAFDVZPU-RGOKHQFPSA-N 2 1 366.296 2.945 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000815652699 741950431 /nfs/dbraw/zinc/95/04/31/741950431.db2.gz NRLMZHOWDUJZRA-UHFFFAOYSA-N 2 1 351.897 2.988 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000815652699 741950432 /nfs/dbraw/zinc/95/04/32/741950432.db2.gz NRLMZHOWDUJZRA-UHFFFAOYSA-N 2 1 351.897 2.988 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001104872483 971065487 /nfs/dbraw/zinc/06/54/87/971065487.db2.gz KLTPFFMFTKTKTI-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001104932729 971177278 /nfs/dbraw/zinc/17/72/78/971177278.db2.gz JWPIKZWEFDHQSR-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967524 971379428 /nfs/dbraw/zinc/37/94/28/971379428.db2.gz ZGTZPRKETOOVBJ-AABGKKOBSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967524 971379433 /nfs/dbraw/zinc/37/94/33/971379433.db2.gz ZGTZPRKETOOVBJ-AABGKKOBSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967524 971379439 /nfs/dbraw/zinc/37/94/39/971379439.db2.gz ZGTZPRKETOOVBJ-AABGKKOBSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCN1c2ccccc2C2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275881225 1013133382 /nfs/dbraw/zinc/13/33/82/1013133382.db2.gz YAKHLKIFBWERPM-GOSISDBHSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001167298789 961295852 /nfs/dbraw/zinc/29/58/52/961295852.db2.gz AZGDZJVOENRSBR-UXHICEINSA-N 2 1 355.526 2.784 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000960009004 1013301824 /nfs/dbraw/zinc/30/18/24/1013301824.db2.gz UKBWPYADRWNMDB-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087466232 964581784 /nfs/dbraw/zinc/58/17/84/964581784.db2.gz HWQHIHRGABTFLR-WOJBJXKFSA-N 2 1 371.500 2.914 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087466232 964581790 /nfs/dbraw/zinc/58/17/90/964581790.db2.gz HWQHIHRGABTFLR-WOJBJXKFSA-N 2 1 371.500 2.914 20 30 FFEDMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001266870323 965010615 /nfs/dbraw/zinc/01/06/15/965010615.db2.gz IMROBECMFGOBQW-VAMGGRTRSA-N 2 1 362.477 2.536 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261996632 965178842 /nfs/dbraw/zinc/17/88/42/965178842.db2.gz SPYOLOXEBUQSDL-TXPKVOOTSA-N 2 1 356.514 2.591 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001023372172 967753524 /nfs/dbraw/zinc/75/35/24/967753524.db2.gz PIAOXARNXFLUTN-BHIFYINESA-N 2 1 367.537 2.597 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001087640414 968476388 /nfs/dbraw/zinc/47/63/88/968476388.db2.gz BPDPCMWHFRRQLZ-VQTJNVASSA-N 2 1 366.509 2.656 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001087640414 968476392 /nfs/dbraw/zinc/47/63/92/968476392.db2.gz BPDPCMWHFRRQLZ-VQTJNVASSA-N 2 1 366.509 2.656 20 30 FFEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024666740 969241832 /nfs/dbraw/zinc/24/18/32/969241832.db2.gz ULYPBBQHTBUIHY-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666740 969241840 /nfs/dbraw/zinc/24/18/40/969241840.db2.gz ULYPBBQHTBUIHY-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666740 969241849 /nfs/dbraw/zinc/24/18/49/969241849.db2.gz ULYPBBQHTBUIHY-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP Cc1cc(C#N)nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000892847081 970327634 /nfs/dbraw/zinc/32/76/34/970327634.db2.gz MTLMVYWWBWSHSF-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262463717 973355318 /nfs/dbraw/zinc/35/53/18/973355318.db2.gz SRMXOZGEDTWEPW-ISARSNTHSA-N 2 1 374.529 2.785 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]3C2)CC1 ZINC001088212275 973669195 /nfs/dbraw/zinc/66/91/95/973669195.db2.gz ZDGQBUGDCFDILH-UXHICEINSA-N 2 1 359.558 2.548 20 30 FFEDMP C=CC[C@]1(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCC[NH2+]1 ZINC000662726946 973817230 /nfs/dbraw/zinc/81/72/30/973817230.db2.gz KMLARPUGUPYINJ-OAQYLSRUSA-N 2 1 363.546 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000985441478 974091452 /nfs/dbraw/zinc/09/14/52/974091452.db2.gz JRLOYRFBOVFUML-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC000985441478 974091456 /nfs/dbraw/zinc/09/14/56/974091456.db2.gz JRLOYRFBOVFUML-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC000985441478 974091463 /nfs/dbraw/zinc/09/14/63/974091463.db2.gz JRLOYRFBOVFUML-LEWJYISDSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001087429310 975784565 /nfs/dbraw/zinc/78/45/65/975784565.db2.gz CQOOAANGZICVJI-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087429310 975784576 /nfs/dbraw/zinc/78/45/76/975784576.db2.gz CQOOAANGZICVJI-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087429310 975784585 /nfs/dbraw/zinc/78/45/85/975784585.db2.gz CQOOAANGZICVJI-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087429310 975784596 /nfs/dbraw/zinc/78/45/96/975784596.db2.gz CQOOAANGZICVJI-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2ccccc2C#N)CC3)CC[N@H+]1C ZINC000990758700 976915915 /nfs/dbraw/zinc/91/59/15/976915915.db2.gz AZCKUPFPIWKKRP-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758700 976915926 /nfs/dbraw/zinc/91/59/26/976915926.db2.gz AZCKUPFPIWKKRP-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2ccccc2C#N)CC3)CC[NH+]1C ZINC000990758700 976915941 /nfs/dbraw/zinc/91/59/41/976915941.db2.gz AZCKUPFPIWKKRP-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707364 977311027 /nfs/dbraw/zinc/31/10/27/977311027.db2.gz OLFXBPYIHLKJAQ-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707511 977317952 /nfs/dbraw/zinc/31/79/52/977317952.db2.gz XBDKNGXPRPKHEL-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[C@@H](N)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000904673733 980325346 /nfs/dbraw/zinc/32/53/46/980325346.db2.gz QFDHWPOCHSVJPJ-MRXNPFEDSA-N 2 1 356.474 2.630 20 30 FFEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000904673733 980325347 /nfs/dbraw/zinc/32/53/47/980325347.db2.gz QFDHWPOCHSVJPJ-MRXNPFEDSA-N 2 1 356.474 2.630 20 30 FFEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000904673733 980325358 /nfs/dbraw/zinc/32/53/58/980325358.db2.gz QFDHWPOCHSVJPJ-MRXNPFEDSA-N 2 1 356.474 2.630 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168371794 981465148 /nfs/dbraw/zinc/46/51/48/981465148.db2.gz IVAQJPKZDQABKS-OAQYLSRUSA-N 2 1 361.530 2.971 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168371793 981465180 /nfs/dbraw/zinc/46/51/80/981465180.db2.gz IVAQJPKZDQABKS-NRFANRHFSA-N 2 1 361.530 2.971 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413815 984522719 /nfs/dbraw/zinc/52/27/19/984522719.db2.gz UIWIGVQNAIWDPM-WAOWUJCRSA-N 2 1 356.514 2.781 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413815 984522724 /nfs/dbraw/zinc/52/27/24/984522724.db2.gz UIWIGVQNAIWDPM-WAOWUJCRSA-N 2 1 356.514 2.781 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549604 984667540 /nfs/dbraw/zinc/66/75/40/984667540.db2.gz BPXGTRKTKZGARQ-VQIMIIECSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549604 984667544 /nfs/dbraw/zinc/66/75/44/984667544.db2.gz BPXGTRKTKZGARQ-VQIMIIECSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549604 984667548 /nfs/dbraw/zinc/66/75/48/984667548.db2.gz BPXGTRKTKZGARQ-VQIMIIECSA-N 2 1 353.938 2.832 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000170914428 985173726 /nfs/dbraw/zinc/17/37/26/985173726.db2.gz YMYZNSVSBKWXNL-KRWDZBQOSA-N 2 1 356.470 2.838 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032640034 986228272 /nfs/dbraw/zinc/22/82/72/986228272.db2.gz AJWXUWZUYQNXOW-BURNTYAHSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032640034 986228278 /nfs/dbraw/zinc/22/82/78/986228278.db2.gz AJWXUWZUYQNXOW-BURNTYAHSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032640034 986228280 /nfs/dbraw/zinc/22/82/80/986228280.db2.gz AJWXUWZUYQNXOW-BURNTYAHSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079205996 991882396 /nfs/dbraw/zinc/88/23/96/991882396.db2.gz PYXNODNVFRDUIB-FFZOFVMBSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1ccccc1F ZINC001079295764 991983293 /nfs/dbraw/zinc/98/32/93/991983293.db2.gz SETJJNWEQSVSMF-RAUXBKROSA-N 2 1 359.489 2.626 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080017828 992655028 /nfs/dbraw/zinc/65/50/28/992655028.db2.gz WTEIMFSXXTZUDS-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080017828 992655031 /nfs/dbraw/zinc/65/50/31/992655031.db2.gz WTEIMFSXXTZUDS-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080017828 992655037 /nfs/dbraw/zinc/65/50/37/992655037.db2.gz WTEIMFSXXTZUDS-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3)C[C@H]2C)CC1 ZINC001080992347 993543148 /nfs/dbraw/zinc/54/31/48/993543148.db2.gz GHOYTJWOQMXRCA-CBGDNZLLSA-N 2 1 371.500 2.668 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cccc(F)c3)C[C@H]2C)CC1 ZINC001080992319 993543271 /nfs/dbraw/zinc/54/32/71/993543271.db2.gz FDDIVRVYBDVNPZ-LLGFUMIMSA-N 2 1 371.500 2.668 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2C)CC1 ZINC001080997590 993547953 /nfs/dbraw/zinc/54/79/53/993547953.db2.gz GESNZTHVZXDAFV-WIYYLYMNSA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2C)CC1 ZINC001080998117 993548528 /nfs/dbraw/zinc/54/85/28/993548528.db2.gz SWJRKLJIMHCLGJ-WIYYLYMNSA-N 2 1 359.558 2.739 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131608601 994455222 /nfs/dbraw/zinc/45/52/22/994455222.db2.gz HQBYSSHRWBEKAE-DSKINZAPSA-N 2 1 365.562 2.667 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001082774374 995469367 /nfs/dbraw/zinc/46/93/67/995469367.db2.gz RSNNGVSWOGRGPX-RHSMWYFYSA-N 2 1 371.510 2.576 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001084417891 996517968 /nfs/dbraw/zinc/51/79/68/996517968.db2.gz KOYOPIJZFKCZCJ-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCCCCC3)C[C@H]21 ZINC001084417891 996517974 /nfs/dbraw/zinc/51/79/74/996517974.db2.gz KOYOPIJZFKCZCJ-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCCCCC3)C[C@H]21 ZINC001084417891 996517979 /nfs/dbraw/zinc/51/79/79/996517979.db2.gz KOYOPIJZFKCZCJ-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001084417891 996517984 /nfs/dbraw/zinc/51/79/84/996517984.db2.gz KOYOPIJZFKCZCJ-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001084417891 996517990 /nfs/dbraw/zinc/51/79/90/996517990.db2.gz KOYOPIJZFKCZCJ-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880880 997597324 /nfs/dbraw/zinc/59/73/24/997597324.db2.gz OMTGDZNXQSDWPL-JRGCBEDISA-N 2 1 371.525 2.640 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090885398 997624817 /nfs/dbraw/zinc/62/48/17/997624817.db2.gz NCPNSARYSKROQP-HBMCJLEFSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCCCC3)[C@H]2C1 ZINC001084961100 998386356 /nfs/dbraw/zinc/38/63/56/998386356.db2.gz KWYAJKNFRBWEHA-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCCCC3)[C@H]2C1 ZINC001084961100 998386367 /nfs/dbraw/zinc/38/63/67/998386367.db2.gz KWYAJKNFRBWEHA-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCCC3)[C@H]2C1 ZINC001084961100 998386368 /nfs/dbraw/zinc/38/63/68/998386368.db2.gz KWYAJKNFRBWEHA-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCC3)[C@H]2C1 ZINC001084961100 998386384 /nfs/dbraw/zinc/38/63/84/998386384.db2.gz KWYAJKNFRBWEHA-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072675 998854069 /nfs/dbraw/zinc/85/40/69/998854069.db2.gz OFRYIPJOLXKMCJ-KAGYGMCKSA-N 2 1 355.526 2.962 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085072675 998854071 /nfs/dbraw/zinc/85/40/71/998854071.db2.gz OFRYIPJOLXKMCJ-KAGYGMCKSA-N 2 1 355.526 2.962 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001096605164 1016343773 /nfs/dbraw/zinc/34/37/73/1016343773.db2.gz DFECIODZLPNGNF-HKBOAZHASA-N 2 1 357.542 2.633 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678862 1001033190 /nfs/dbraw/zinc/03/31/90/1001033190.db2.gz QHXWRASNCRFXSZ-YXTQBTIXSA-N 2 1 368.525 2.510 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586356 1001538092 /nfs/dbraw/zinc/53/80/92/1001538092.db2.gz VOFNESVNBVJJOA-VWPQPMDRSA-N 2 1 353.510 2.531 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001086595039 1002582932 /nfs/dbraw/zinc/58/29/32/1002582932.db2.gz HJIZOJGYIFTVJU-GHTZIAJQSA-N 2 1 358.445 2.784 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001086612389 1003308827 /nfs/dbraw/zinc/30/88/27/1003308827.db2.gz OUOUICYAVMZVSQ-VQTJNVASSA-N 2 1 364.493 2.614 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001086612389 1003308831 /nfs/dbraw/zinc/30/88/31/1003308831.db2.gz OUOUICYAVMZVSQ-VQTJNVASSA-N 2 1 364.493 2.614 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086624908 1003773634 /nfs/dbraw/zinc/77/36/34/1003773634.db2.gz AJEIZBGOSJRGHO-FCHUYYIVSA-N 2 1 361.489 2.579 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086624908 1003773639 /nfs/dbraw/zinc/77/36/39/1003773639.db2.gz AJEIZBGOSJRGHO-FCHUYYIVSA-N 2 1 361.489 2.579 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102445 1004374538 /nfs/dbraw/zinc/37/45/38/1004374538.db2.gz JOHDWQCKGLBCST-KZNAEPCWSA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102445 1004374549 /nfs/dbraw/zinc/37/45/49/1004374549.db2.gz JOHDWQCKGLBCST-KZNAEPCWSA-N 2 1 364.534 2.528 20 30 FFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)CC2)oc1C ZINC000819054048 1008020317 /nfs/dbraw/zinc/02/03/17/1008020317.db2.gz UCSQHYJHGVLRLT-FQEVSTJZSA-N 2 1 368.481 2.698 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093117459 1009907761 /nfs/dbraw/zinc/90/77/61/1009907761.db2.gz OKSYXTCNEUCDKL-RDTXWAMCSA-N 2 1 353.938 2.545 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001094241450 1010985074 /nfs/dbraw/zinc/98/50/74/1010985074.db2.gz FAHAKXGLMCISLD-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000303880050 1012480357 /nfs/dbraw/zinc/48/03/57/1012480357.db2.gz JZJFCLDMUXCBDH-OAHLLOKOSA-N 2 1 362.518 2.619 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCCC2)c1 ZINC000303972759 1012547382 /nfs/dbraw/zinc/54/73/82/1012547382.db2.gz GELQCZLNUQVOCN-KRWDZBQOSA-N 2 1 359.518 2.682 20 30 FFEDMP C[NH+](C)CCOCc1ncn2c1C[N@H+](C1CCC(C)(C#N)CC1)CCC2 ZINC001173596521 1012770543 /nfs/dbraw/zinc/77/05/43/1012770543.db2.gz ZJAOIULKOAMNRA-UHFFFAOYSA-N 2 1 359.518 2.639 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H](C)CC(C)C)C[C@H]32)CC1 ZINC001222044104 1032695547 /nfs/dbraw/zinc/69/55/47/1032695547.db2.gz OUUMNTWADDWPQR-HMXCVIKNSA-N 2 1 359.558 2.547 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001052395558 1017396523 /nfs/dbraw/zinc/39/65/23/1017396523.db2.gz UMHOXXPFAJUESQ-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001052395558 1017396535 /nfs/dbraw/zinc/39/65/35/1017396535.db2.gz UMHOXXPFAJUESQ-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC001052395558 1017396543 /nfs/dbraw/zinc/39/65/43/1017396543.db2.gz UMHOXXPFAJUESQ-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001111028052 1020742343 /nfs/dbraw/zinc/74/23/43/1020742343.db2.gz FYWPLDKMENBMAZ-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001111028052 1020742349 /nfs/dbraw/zinc/74/23/49/1020742349.db2.gz FYWPLDKMENBMAZ-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001111028052 1020742353 /nfs/dbraw/zinc/74/23/53/1020742353.db2.gz FYWPLDKMENBMAZ-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001111028052 1020742357 /nfs/dbraw/zinc/74/23/57/1020742357.db2.gz FYWPLDKMENBMAZ-AQNXPRMDSA-N 2 1 368.525 2.758 20 30 FFEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001039441543 1022756021 /nfs/dbraw/zinc/75/60/21/1022756021.db2.gz LLADSHYLDYDYBM-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001039441543 1022756040 /nfs/dbraw/zinc/75/60/40/1022756040.db2.gz LLADSHYLDYDYBM-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001039441543 1022756058 /nfs/dbraw/zinc/75/60/58/1022756058.db2.gz LLADSHYLDYDYBM-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC001120483622 1023337582 /nfs/dbraw/zinc/33/75/82/1023337582.db2.gz ARPLQNBINJAMDR-HXUWFJFHSA-N 2 1 359.514 2.688 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000754739919 1023511087 /nfs/dbraw/zinc/51/10/87/1023511087.db2.gz GVENMCGSGZVZCT-DFQSSKMNSA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001121595832 1023871460 /nfs/dbraw/zinc/87/14/60/1023871460.db2.gz YOLJJDBZHGEBSB-ROUUACIJSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001121595832 1023871468 /nfs/dbraw/zinc/87/14/68/1023871468.db2.gz YOLJJDBZHGEBSB-ROUUACIJSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001121595832 1023871473 /nfs/dbraw/zinc/87/14/73/1023871473.db2.gz YOLJJDBZHGEBSB-ROUUACIJSA-N 2 1 372.561 2.584 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101285315 1024330073 /nfs/dbraw/zinc/33/00/73/1024330073.db2.gz YDOAGIJJVITQRL-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101285315 1024330088 /nfs/dbraw/zinc/33/00/88/1024330088.db2.gz YDOAGIJJVITQRL-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101285315 1024330097 /nfs/dbraw/zinc/33/00/97/1024330097.db2.gz YDOAGIJJVITQRL-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366605 1024557063 /nfs/dbraw/zinc/55/70/63/1024557063.db2.gz BFZJHLLTESWWMD-GGAORHGYSA-N 2 1 369.553 2.907 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366605 1024557072 /nfs/dbraw/zinc/55/70/72/1024557072.db2.gz BFZJHLLTESWWMD-GGAORHGYSA-N 2 1 369.553 2.907 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366605 1024557081 /nfs/dbraw/zinc/55/70/81/1024557081.db2.gz BFZJHLLTESWWMD-GGAORHGYSA-N 2 1 369.553 2.907 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCCCCC=C)C[C@@]3(C)C2)CC1 ZINC001101473121 1024836467 /nfs/dbraw/zinc/83/64/67/1024836467.db2.gz GYWFBLDKVWPOPA-GGAORHGYSA-N 2 1 371.569 2.858 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001102368550 1025828183 /nfs/dbraw/zinc/82/81/83/1025828183.db2.gz ZNZRDGLGOCYHQP-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001102368550 1025828201 /nfs/dbraw/zinc/82/82/01/1025828201.db2.gz ZNZRDGLGOCYHQP-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622660 1026443392 /nfs/dbraw/zinc/44/33/92/1026443392.db2.gz IXQQEPHBIVRWFB-FPOVZHCZSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622660 1026443397 /nfs/dbraw/zinc/44/33/97/1026443397.db2.gz IXQQEPHBIVRWFB-FPOVZHCZSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622660 1026443403 /nfs/dbraw/zinc/44/34/03/1026443403.db2.gz IXQQEPHBIVRWFB-FPOVZHCZSA-N 2 1 370.541 2.636 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103148180 1027004712 /nfs/dbraw/zinc/00/47/12/1027004712.db2.gz QYSGEHKBNOHZOX-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103148180 1027004713 /nfs/dbraw/zinc/00/47/13/1027004713.db2.gz QYSGEHKBNOHZOX-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103148180 1027004719 /nfs/dbraw/zinc/00/47/19/1027004719.db2.gz QYSGEHKBNOHZOX-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817175 1027008725 /nfs/dbraw/zinc/00/87/25/1027008725.db2.gz KCNSWIKWNOIIRW-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP CCC(=O)On1nc2c(c1Nc1ccc(C(C)(C)[NH3+])cc1)C[NH2+]C2(C)C ZINC001159392947 1027378202 /nfs/dbraw/zinc/37/82/02/1027378202.db2.gz XDMDSHMLJAXULB-UHFFFAOYSA-N 2 1 357.458 2.524 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001103773517 1028183018 /nfs/dbraw/zinc/18/30/18/1028183018.db2.gz BDHARLIEPVJPIG-QZTJIDSGSA-N 2 1 359.514 2.833 20 30 FFEDMP N#Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001155357160 1028692978 /nfs/dbraw/zinc/69/29/78/1028692978.db2.gz CJSDKUIPXHITJD-FQEVSTJZSA-N 2 1 361.493 2.867 20 30 FFEDMP Cc1cccc2nc(Cl)c(C#N)c(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155389583 1028715004 /nfs/dbraw/zinc/71/50/04/1028715004.db2.gz ATTLKZLDGUUUGD-OAHLLOKOSA-N 2 1 369.900 2.928 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112206063 1030239120 /nfs/dbraw/zinc/23/91/20/1030239120.db2.gz GDEHFYOMGVJPFC-BPLDGKMQSA-N 2 1 358.408 2.525 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112350001 1030624498 /nfs/dbraw/zinc/62/44/98/1030624498.db2.gz DEJVOCAEGMVXIF-LNLFQRSKSA-N 2 1 353.938 2.830 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001112355903 1030641097 /nfs/dbraw/zinc/64/10/97/1030641097.db2.gz XNRVAQBHDDBUOD-JTAQYXEDSA-N 2 1 371.569 2.883 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(C#N)ccc45)C[C@@H]3C2)cn1 ZINC001142916325 1031047136 /nfs/dbraw/zinc/04/71/36/1031047136.db2.gz CNQAJGGSFCALJQ-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(C#N)ccc45)C[C@@H]3C2)cn1 ZINC001142916325 1031047151 /nfs/dbraw/zinc/04/71/51/1031047151.db2.gz CNQAJGGSFCALJQ-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C[C@@H]3C2)cn1 ZINC001142916325 1031047171 /nfs/dbraw/zinc/04/71/71/1031047171.db2.gz CNQAJGGSFCALJQ-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5cc(C#N)ccc45)C[C@@H]3C2)cn1 ZINC001142916325 1031047187 /nfs/dbraw/zinc/04/71/87/1031047187.db2.gz CNQAJGGSFCALJQ-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP C=CCOC(=O)N1CCCC2(CC[NH+](CC[C@H]3COC(C)(C)[NH2+]3)CC2)C1 ZINC001204847432 1031453588 /nfs/dbraw/zinc/45/35/88/1031453588.db2.gz ARUUIKHELWBXFK-KRWDZBQOSA-N 2 1 365.518 2.602 20 30 FFEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCCC1 ZINC001115742106 1031965537 /nfs/dbraw/zinc/96/55/37/1031965537.db2.gz PGXSMOSVEFVFFX-RTWAWAEBSA-N 2 1 367.537 2.764 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000829804729 1033348464 /nfs/dbraw/zinc/34/84/64/1033348464.db2.gz KZFDFOBGBYZWKA-QKNQBKEWSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000829804729 1033348469 /nfs/dbraw/zinc/34/84/69/1033348469.db2.gz KZFDFOBGBYZWKA-QKNQBKEWSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000829804729 1033348474 /nfs/dbraw/zinc/34/84/74/1033348474.db2.gz KZFDFOBGBYZWKA-QKNQBKEWSA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073449 1033972284 /nfs/dbraw/zinc/97/22/84/1033972284.db2.gz AYWISLVJQLRLCJ-UXHICEINSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073449 1033972292 /nfs/dbraw/zinc/97/22/92/1033972292.db2.gz AYWISLVJQLRLCJ-UXHICEINSA-N 2 1 365.562 2.549 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073449 1033972298 /nfs/dbraw/zinc/97/22/98/1033972298.db2.gz AYWISLVJQLRLCJ-UXHICEINSA-N 2 1 365.562 2.549 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001229852412 1036934800 /nfs/dbraw/zinc/93/48/00/1036934800.db2.gz HJXNQPINKCKNBB-WOJBJXKFSA-N 2 1 356.514 2.807 20 30 FFEDMP Cn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C#N ZINC001207104096 1037150611 /nfs/dbraw/zinc/15/06/11/1037150611.db2.gz KBEYZBKNHJDBNC-IBGZPJMESA-N 2 1 368.481 2.745 20 30 FFEDMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001278948703 1038571511 /nfs/dbraw/zinc/57/15/11/1038571511.db2.gz BKHBRNQYKDJMLW-UHFFFAOYSA-N 2 1 353.495 2.816 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957227 1038606752 /nfs/dbraw/zinc/60/67/52/1038606752.db2.gz FCFJJPGQAUWDSI-PMACEKPBSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957227 1038606753 /nfs/dbraw/zinc/60/67/53/1038606753.db2.gz FCFJJPGQAUWDSI-PMACEKPBSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957227 1038606757 /nfs/dbraw/zinc/60/67/57/1038606757.db2.gz FCFJJPGQAUWDSI-PMACEKPBSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957227 1038606762 /nfs/dbraw/zinc/60/67/62/1038606762.db2.gz FCFJJPGQAUWDSI-PMACEKPBSA-N 2 1 357.498 2.885 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957227 1038606763 /nfs/dbraw/zinc/60/67/63/1038606763.db2.gz FCFJJPGQAUWDSI-PMACEKPBSA-N 2 1 357.498 2.885 20 30 FFEDMP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246198098 1039274731 /nfs/dbraw/zinc/27/47/31/1039274731.db2.gz CNFOZJYZKGUBTJ-GUMHCPJTSA-N 2 1 355.482 2.715 20 30 FFEDMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001246583873 1039405902 /nfs/dbraw/zinc/40/59/02/1039405902.db2.gz VYKLLQYDTIDNHB-NRFANRHFSA-N 2 1 354.498 2.614 20 30 FFEDMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)ccc3F)(C1)CCC2 ZINC001278681014 1039689563 /nfs/dbraw/zinc/68/95/63/1039689563.db2.gz QWUFOCCHNFVEPU-UXHICEINSA-N 2 1 361.461 2.842 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC001248676327 1040360835 /nfs/dbraw/zinc/36/08/35/1040360835.db2.gz MNVLMKFYOUTCDN-HXUWFJFHSA-N 2 1 362.562 2.628 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC001248676327 1040360851 /nfs/dbraw/zinc/36/08/51/1040360851.db2.gz MNVLMKFYOUTCDN-HXUWFJFHSA-N 2 1 362.562 2.628 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001213322404 1040447677 /nfs/dbraw/zinc/44/76/77/1040447677.db2.gz IJARRAJRFGJHND-XUVXKRRUSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001213322404 1040447687 /nfs/dbraw/zinc/44/76/87/1040447687.db2.gz IJARRAJRFGJHND-XUVXKRRUSA-N 2 1 365.562 2.670 20 30 FFEDMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CC[C@@H](C#N)C3)O2)CC1 ZINC001254665302 1040865582 /nfs/dbraw/zinc/86/55/82/1040865582.db2.gz ZRAWNWCFBLASEZ-FDKIHUSFSA-N 2 1 361.530 2.659 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC001262568151 1041726764 /nfs/dbraw/zinc/72/67/64/1041726764.db2.gz MUWDTTGJDAJMIU-KRWDZBQOSA-N 2 1 369.278 2.699 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393230 1041769243 /nfs/dbraw/zinc/76/92/43/1041769243.db2.gz SZVFGFSUMDYKHL-QRVBRYPASA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393230 1041769249 /nfs/dbraw/zinc/76/92/49/1041769249.db2.gz SZVFGFSUMDYKHL-QRVBRYPASA-N 2 1 353.551 2.503 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264611419 1042743760 /nfs/dbraw/zinc/74/37/60/1042743760.db2.gz HMTXVSZZEPSRGV-ZCNNSNEGSA-N 2 1 356.514 2.614 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCC=CO2)CC3)cc1C#N ZINC001278141410 1043341825 /nfs/dbraw/zinc/34/18/25/1043341825.db2.gz YWKQMAYJVFHITK-HXUWFJFHSA-N 2 1 354.498 2.877 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001317377990 1045081735 /nfs/dbraw/zinc/08/17/35/1045081735.db2.gz VMDYZTNPGNUOFT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317377990 1045081749 /nfs/dbraw/zinc/08/17/49/1045081749.db2.gz VMDYZTNPGNUOFT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317377990 1045081761 /nfs/dbraw/zinc/08/17/61/1045081761.db2.gz VMDYZTNPGNUOFT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]Cc3cccc(C#N)c3)CCCCC2)CC[N@H+]1C ZINC001282608204 1045956060 /nfs/dbraw/zinc/95/60/60/1045956060.db2.gz YSTOMHKPBSZLHR-YLJYHZDGSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001332220622 1048306736 /nfs/dbraw/zinc/30/67/36/1048306736.db2.gz HSGIJVIUOWMWNX-BHIYHBOVSA-N 2 1 363.933 2.786 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001333338460 1048846002 /nfs/dbraw/zinc/84/60/02/1048846002.db2.gz ZFHPTQYZRSSXRR-AWEZNQCLSA-N 2 1 361.877 2.957 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177693 1051802582 /nfs/dbraw/zinc/80/25/82/1051802582.db2.gz GLYHJZBSGYRWMO-FCGDIQPGSA-N 2 1 361.917 2.873 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC001335440994 1053365311 /nfs/dbraw/zinc/36/53/11/1053365311.db2.gz OANSNFCHXAMSGR-ZEZYUPADSA-N 2 1 372.509 2.545 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001100154986 1055840089 /nfs/dbraw/zinc/84/00/89/1055840089.db2.gz OXRGBFSOPHURAI-PWRODBHTSA-N 2 1 371.525 2.640 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001339068571 1056064559 /nfs/dbraw/zinc/06/45/59/1056064559.db2.gz NSGBMSHTJVFONH-LJQANCHMSA-N 2 1 374.577 2.830 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001339068571 1056064565 /nfs/dbraw/zinc/06/45/65/1056064565.db2.gz NSGBMSHTJVFONH-LJQANCHMSA-N 2 1 374.577 2.830 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001339068571 1056064572 /nfs/dbraw/zinc/06/45/72/1056064572.db2.gz NSGBMSHTJVFONH-LJQANCHMSA-N 2 1 374.577 2.830 20 30 FFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200548881 1058539438 /nfs/dbraw/zinc/53/94/38/1058539438.db2.gz XPYLJBGAWFRDTB-GUDVDZBRSA-N 2 1 353.551 2.504 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001516047455 1059941938 /nfs/dbraw/zinc/94/19/38/1059941938.db2.gz PCYYXSZZEIGLAD-RBUKOAKNSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](CC)C[C@@H]1CC)C(C)C ZINC001467659851 1063809953 /nfs/dbraw/zinc/80/99/53/1063809953.db2.gz AKDBFYRJYGDXIH-RBUKOAKNSA-N 2 1 350.551 2.811 20 30 FFEDMP C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001575912406 1078177012 /nfs/dbraw/zinc/17/70/12/1078177012.db2.gz ASTLVKKILUEYRQ-YESZJQIVSA-N 2 1 373.549 2.561 20 30 FFEDMP C#CC[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC001473581869 1065287653 /nfs/dbraw/zinc/28/76/53/1065287653.db2.gz QRCQXESCUUHEJS-OAQYLSRUSA-N 2 1 367.537 2.765 20 30 FFEDMP C#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001473581869 1065287667 /nfs/dbraw/zinc/28/76/67/1065287667.db2.gz QRCQXESCUUHEJS-OAQYLSRUSA-N 2 1 367.537 2.765 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001473581869 1065287677 /nfs/dbraw/zinc/28/76/77/1065287677.db2.gz QRCQXESCUUHEJS-OAQYLSRUSA-N 2 1 367.537 2.765 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927128 1078716325 /nfs/dbraw/zinc/71/63/25/1078716325.db2.gz KQNSQXIPEAZMEI-USXIJHARSA-N 2 1 358.486 2.807 20 30 FFEDMP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1C ZINC001579927128 1078716334 /nfs/dbraw/zinc/71/63/34/1078716334.db2.gz KQNSQXIPEAZMEI-USXIJHARSA-N 2 1 358.486 2.807 20 30 FFEDMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001565987763 1076832401 /nfs/dbraw/zinc/83/24/01/1076832401.db2.gz DEZCCWFBGCFTNC-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045120 1076873935 /nfs/dbraw/zinc/87/39/35/1076873935.db2.gz SQSMQMFGEVWLOY-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045120 1076873938 /nfs/dbraw/zinc/87/39/38/1076873938.db2.gz SQSMQMFGEVWLOY-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045120 1076873941 /nfs/dbraw/zinc/87/39/41/1076873941.db2.gz SQSMQMFGEVWLOY-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001566045120 1076873944 /nfs/dbraw/zinc/87/39/44/1076873944.db2.gz SQSMQMFGEVWLOY-FUHIMQAGSA-N 2 1 371.529 2.537 20 30 FFEDMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001567424881 1077025143 /nfs/dbraw/zinc/02/51/43/1077025143.db2.gz CESUHAWKZLZXDH-LEWJYISDSA-N 2 1 355.526 2.597 20 30 FFEDMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567424881 1077025146 /nfs/dbraw/zinc/02/51/46/1077025146.db2.gz CESUHAWKZLZXDH-LEWJYISDSA-N 2 1 355.526 2.597 20 30 FFEDMP CCC[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567424881 1077025151 /nfs/dbraw/zinc/02/51/51/1077025151.db2.gz CESUHAWKZLZXDH-LEWJYISDSA-N 2 1 355.526 2.597 20 30 FFEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001567653927 1077041789 /nfs/dbraw/zinc/04/17/89/1077041789.db2.gz GKZLOVQNSJNSQF-UIFIKXQLSA-N 2 1 355.526 2.920 20 30 FFEDMP C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H]1CCCC[N@@H+]1CCCC ZINC001574485091 1078000122 /nfs/dbraw/zinc/00/01/22/1078000122.db2.gz APEGQHIJLKJFOZ-AKHDSKFASA-N 2 1 372.561 2.595 20 30 FFEDMP C#CC[C@]1(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC[NH2+]1 ZINC001574517054 1078006921 /nfs/dbraw/zinc/00/69/21/1078006921.db2.gz KNOUMVZSECFVIE-BESBDSHLSA-N 2 1 365.521 2.549 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106265942 508398708 /nfs/dbraw/zinc/39/87/08/508398708.db2.gz AFFJPBUJYQQLPI-QGZVFWFLSA-N 2 1 350.551 2.837 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000106341171 508399577 /nfs/dbraw/zinc/39/95/77/508399577.db2.gz RPPQTZQOOFQWSG-UHFFFAOYSA-N 2 1 356.514 2.554 20 30 FFEDMP N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000185881749 509404580 /nfs/dbraw/zinc/40/45/80/509404580.db2.gz JQPPFZAHUIURRH-HKUYNNGSSA-N 2 1 370.497 2.519 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267348970 509460482 /nfs/dbraw/zinc/46/04/82/509460482.db2.gz PFPJIROLIXJHIW-RXVVDRJESA-N 2 1 370.541 2.847 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N(C)Cc1ccon1 ZINC000261747782 510049147 /nfs/dbraw/zinc/04/91/47/510049147.db2.gz LMPGFTRLYKDPGZ-UHFFFAOYSA-N 2 1 356.405 2.515 20 30 FFEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957221 510128290 /nfs/dbraw/zinc/12/82/90/510128290.db2.gz JCVHJEGHELHXTL-AEFFLSMTSA-N 2 1 356.514 2.940 20 30 FFEDMP C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262826322 510430243 /nfs/dbraw/zinc/43/02/43/510430243.db2.gz ZVQFQMLNTOWRKK-FBVQUNGASA-N 2 1 364.921 2.554 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291634 510765071 /nfs/dbraw/zinc/76/50/71/510765071.db2.gz LKMJUELNGCSKEM-SFHVURJKSA-N 2 1 352.482 2.622 20 30 FFEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329909719 510875987 /nfs/dbraw/zinc/87/59/87/510875987.db2.gz MRZUHCSVCTYALI-SJORKVTESA-N 2 1 361.534 2.850 20 30 FFEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329909719 510875992 /nfs/dbraw/zinc/87/59/92/510875992.db2.gz MRZUHCSVCTYALI-SJORKVTESA-N 2 1 361.534 2.850 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000330174608 510930206 /nfs/dbraw/zinc/93/02/06/510930206.db2.gz IIMPOPRUYFZPSS-CALCHBBNSA-N 2 1 359.514 2.973 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000362143091 511139531 /nfs/dbraw/zinc/13/95/31/511139531.db2.gz TVFASOCFLFPNNY-PMACEKPBSA-N 2 1 374.504 2.911 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298502053 511307432 /nfs/dbraw/zinc/30/74/32/511307432.db2.gz KDEDPKSXGOCVJF-LJQANCHMSA-N 2 1 365.481 2.835 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298502053 511307437 /nfs/dbraw/zinc/30/74/37/511307437.db2.gz KDEDPKSXGOCVJF-LJQANCHMSA-N 2 1 365.481 2.835 20 30 FFEDMP Cc1nnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)c1C ZINC000363606419 511654185 /nfs/dbraw/zinc/65/41/85/511654185.db2.gz OCKAAYQDSCTUDB-UHFFFAOYSA-N 2 1 370.545 2.598 20 30 FFEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329395496 512038814 /nfs/dbraw/zinc/03/88/14/512038814.db2.gz XBADWVIUOXBCIS-IEBWSBKVSA-N 2 1 373.545 2.696 20 30 FFEDMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413264460 513556679 /nfs/dbraw/zinc/55/66/79/513556679.db2.gz MIBCZOMYMYIAMN-KSZLIROESA-N 2 1 356.514 2.710 20 30 FFEDMP CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424132117 514393004 /nfs/dbraw/zinc/39/30/04/514393004.db2.gz KJJGXUOTHWFNLZ-UXHICEINSA-N 2 1 356.514 2.911 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000499631265 515394373 /nfs/dbraw/zinc/39/43/73/515394373.db2.gz BBSQRROYLCRFCI-OALUTQOASA-N 2 1 351.535 2.814 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000499806328 515462750 /nfs/dbraw/zinc/46/27/50/515462750.db2.gz YDTFKJOZGQJYLY-OALUTQOASA-N 2 1 370.541 2.941 20 30 FFEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)c(C#N)c1 ZINC000511856263 516054942 /nfs/dbraw/zinc/05/49/42/516054942.db2.gz VZZZIFSGQWUMHY-UHFFFAOYSA-N 2 1 366.484 2.947 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107741 517084976 /nfs/dbraw/zinc/08/49/76/517084976.db2.gz SPIOJYLDKFJJNL-FPOVZHCZSA-N 2 1 368.525 2.639 20 30 FFEDMP C=CCOc1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538415016 517612126 /nfs/dbraw/zinc/61/21/26/517612126.db2.gz YFMHHGIEBNHHFQ-JOCHJYFZSA-N 2 1 352.478 2.978 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000538415016 517612135 /nfs/dbraw/zinc/61/21/35/517612135.db2.gz YFMHHGIEBNHHFQ-JOCHJYFZSA-N 2 1 352.478 2.978 20 30 FFEDMP N#CCCn1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)c(-c2ccncc2)n1 ZINC000527812602 517929853 /nfs/dbraw/zinc/92/98/53/517929853.db2.gz VIEDPMCFVRZLSU-HXUWFJFHSA-N 2 1 364.497 2.965 20 30 FFEDMP C[N@H+]1CCC[C@@H](CNCc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420877 518745302 /nfs/dbraw/zinc/74/53/02/518745302.db2.gz NAPDZYTZPSIITB-YJBOKZPZSA-N 2 1 366.494 2.835 20 30 FFEDMP CN1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420877 518745307 /nfs/dbraw/zinc/74/53/07/518745307.db2.gz NAPDZYTZPSIITB-YJBOKZPZSA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420877 518745317 /nfs/dbraw/zinc/74/53/17/518745317.db2.gz NAPDZYTZPSIITB-YJBOKZPZSA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420877 518745327 /nfs/dbraw/zinc/74/53/27/518745327.db2.gz NAPDZYTZPSIITB-YJBOKZPZSA-N 2 1 366.494 2.835 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C#N)ccc3NC)CC2)CC1 ZINC000580449228 519183247 /nfs/dbraw/zinc/18/32/47/519183247.db2.gz JVSPZFWVANHZRB-UHFFFAOYSA-N 2 1 369.513 2.735 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000594440552 519966012 /nfs/dbraw/zinc/96/60/12/519966012.db2.gz FFNAHZKGYGCJKF-GOSISDBHSA-N 2 1 362.905 2.786 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000594440552 519966021 /nfs/dbraw/zinc/96/60/21/519966021.db2.gz FFNAHZKGYGCJKF-GOSISDBHSA-N 2 1 362.905 2.786 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)C(C)C ZINC000606641464 521120928 /nfs/dbraw/zinc/12/09/28/521120928.db2.gz AWJARAYPPOIEDD-OALUTQOASA-N 2 1 350.551 2.667 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372141 521180858 /nfs/dbraw/zinc/18/08/58/521180858.db2.gz IOBVTTFWHYLGSX-HMXCVIKNSA-N 2 1 371.525 2.558 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614131 522822281 /nfs/dbraw/zinc/82/22/81/522822281.db2.gz KQPTZDRPEJEXQN-RBUKOAKNSA-N 2 1 350.551 2.716 20 30 FFEDMP C[NH+]=C(NCc1cc(C)no1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246255195 729583492 /nfs/dbraw/zinc/58/34/92/729583492.db2.gz UARGKFRLDFRIRG-WMLDXEAASA-N 2 1 361.515 2.793 20 30 FFEDMP C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303723330 729734361 /nfs/dbraw/zinc/73/43/61/729734361.db2.gz YXVBZMWKSREGMI-LBPRGKRZSA-N 2 1 359.301 2.681 20 30 FFEDMP C#Cc1cccc(NC(=S)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000726490561 734430738 /nfs/dbraw/zinc/43/07/38/734430738.db2.gz MTJDCUPPKZBEAA-IBGZPJMESA-N 2 1 358.555 2.713 20 30 FFEDMP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2=NNCCC[NH+]2CCOCC2)C1 ZINC000799488472 740422456 /nfs/dbraw/zinc/42/24/56/740422456.db2.gz SCTQSSUUFAARFV-QWFCFKBJSA-N 2 1 350.551 2.575 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087966952 971379352 /nfs/dbraw/zinc/37/93/52/971379352.db2.gz CJMRHPCMAWWKQZ-AQNXPRMDSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087966952 971379357 /nfs/dbraw/zinc/37/93/57/971379357.db2.gz CJMRHPCMAWWKQZ-AQNXPRMDSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087966952 971379375 /nfs/dbraw/zinc/37/93/75/971379375.db2.gz CJMRHPCMAWWKQZ-AQNXPRMDSA-N 2 1 359.558 2.997 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001087998086 971784433 /nfs/dbraw/zinc/78/44/33/971784433.db2.gz QDHSQKVAHOHKJT-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001087998086 971784436 /nfs/dbraw/zinc/78/44/36/971784436.db2.gz QDHSQKVAHOHKJT-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001087998086 971784439 /nfs/dbraw/zinc/78/44/39/971784439.db2.gz QDHSQKVAHOHKJT-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001087998086 971784442 /nfs/dbraw/zinc/78/44/42/971784442.db2.gz QDHSQKVAHOHKJT-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)Cc1cnn(C)c1 ZINC000262351386 972042805 /nfs/dbraw/zinc/04/28/05/972042805.db2.gz FEVNSCWCPKCLGN-WMZOPIPTSA-N 2 1 374.558 2.572 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078634 972501840 /nfs/dbraw/zinc/50/18/40/972501840.db2.gz QWUQLBIKDMUCRF-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C\CCC)C1 ZINC001104306060 962892204 /nfs/dbraw/zinc/89/22/04/962892204.db2.gz IVGDXZBFYWSGRL-YHJPHCOGSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC/C=C\CCC)C1 ZINC001104306060 962892214 /nfs/dbraw/zinc/89/22/14/962892214.db2.gz IVGDXZBFYWSGRL-YHJPHCOGSA-N 2 1 359.558 2.905 20 30 FFEDMP C=CCn1ccc2c1nc[nH+]c2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167427143 963029429 /nfs/dbraw/zinc/02/94/29/963029429.db2.gz ZSBBSWREFIKYLQ-UHFFFAOYSA-N 2 1 362.481 2.981 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001087467701 965127096 /nfs/dbraw/zinc/12/70/96/965127096.db2.gz KUGQJEMLRHVAGX-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087467701 965127102 /nfs/dbraw/zinc/12/71/02/965127102.db2.gz KUGQJEMLRHVAGX-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087467701 965127110 /nfs/dbraw/zinc/12/71/10/965127110.db2.gz KUGQJEMLRHVAGX-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087467701 965127115 /nfs/dbraw/zinc/12/71/15/965127115.db2.gz KUGQJEMLRHVAGX-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087469012 965286269 /nfs/dbraw/zinc/28/62/69/965286269.db2.gz DHMQMPTUNQXLOE-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087469012 965286279 /nfs/dbraw/zinc/28/62/79/965286279.db2.gz DHMQMPTUNQXLOE-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087469012 965286282 /nfs/dbraw/zinc/28/62/82/965286282.db2.gz DHMQMPTUNQXLOE-PWIZWCRZSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1CC ZINC001087601102 968318896 /nfs/dbraw/zinc/31/88/96/968318896.db2.gz AFWGPPGPGUWUNS-ZCNNSNEGSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1CC ZINC001087601102 968318904 /nfs/dbraw/zinc/31/89/04/968318904.db2.gz AFWGPPGPGUWUNS-ZCNNSNEGSA-N 2 1 363.546 2.565 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001024967808 969427374 /nfs/dbraw/zinc/42/73/74/969427374.db2.gz JDEAOVYQNRDMKN-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104595386 969897870 /nfs/dbraw/zinc/89/78/70/969897870.db2.gz RGVSLJLCJSXINL-QRQLOZEOSA-N 2 1 358.530 2.794 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)CC[C@@H]3C2)CC1 ZINC001088211795 973666841 /nfs/dbraw/zinc/66/68/41/973666841.db2.gz AQUJSPVMRCPENW-YADHBBJMSA-N 2 1 369.553 2.612 20 30 FFEDMP C=CC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000662730939 973834313 /nfs/dbraw/zinc/83/43/13/973834313.db2.gz VOAZMDOHTJGMPZ-GFSYIJCISA-N 2 1 353.510 2.997 20 30 FFEDMP C[NH+](C)C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)Cc2ccccc2C1 ZINC000262545457 974243326 /nfs/dbraw/zinc/24/33/26/974243326.db2.gz UVYWNMDFBJZIJI-LJQANCHMSA-N 2 1 364.493 2.514 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684386 975181632 /nfs/dbraw/zinc/18/16/32/975181632.db2.gz VHAHZAXWOLHQEO-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529484 975346946 /nfs/dbraw/zinc/34/69/46/975346946.db2.gz BDYSTOAHEMJXRD-FFZOFVMBSA-N 2 1 351.510 2.603 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764334 976971127 /nfs/dbraw/zinc/97/11/27/976971127.db2.gz QNXKAOOPQUCGTQ-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764334 976971137 /nfs/dbraw/zinc/97/11/37/976971137.db2.gz QNXKAOOPQUCGTQ-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764334 976971145 /nfs/dbraw/zinc/97/11/45/976971145.db2.gz QNXKAOOPQUCGTQ-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000982029366 977157064 /nfs/dbraw/zinc/15/70/64/977157064.db2.gz YMVFRWYQCPXJAQ-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000982029366 977157071 /nfs/dbraw/zinc/15/70/71/977157071.db2.gz YMVFRWYQCPXJAQ-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000982029366 977157078 /nfs/dbraw/zinc/15/70/78/977157078.db2.gz YMVFRWYQCPXJAQ-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087455690 977776053 /nfs/dbraw/zinc/77/60/53/977776053.db2.gz IHGQGFOVSFSHSY-HUYLIWGRSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087455690 977776061 /nfs/dbraw/zinc/77/60/61/977776061.db2.gz IHGQGFOVSFSHSY-HUYLIWGRSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087455690 977776064 /nfs/dbraw/zinc/77/60/64/977776064.db2.gz IHGQGFOVSFSHSY-HUYLIWGRSA-N 2 1 359.489 2.626 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2ccccc2C#N)CC[N@H+]1C ZINC000968867125 1014604653 /nfs/dbraw/zinc/60/46/53/1014604653.db2.gz SDKISPROHBXNQX-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC000968867125 1014604660 /nfs/dbraw/zinc/60/46/60/1014604660.db2.gz SDKISPROHBXNQX-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC000968867125 1014604666 /nfs/dbraw/zinc/60/46/66/1014604666.db2.gz SDKISPROHBXNQX-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@H]1C ZINC001088573693 981173793 /nfs/dbraw/zinc/17/37/93/981173793.db2.gz CVZZWZNJYIIFFS-MKXGPGLRSA-N 2 1 356.514 2.699 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000911920999 983918574 /nfs/dbraw/zinc/91/85/74/983918574.db2.gz BIICWQKQUIMPCU-FQEVSTJZSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107426022 984527833 /nfs/dbraw/zinc/52/78/33/984527833.db2.gz ZDVLUWMIXAOLRJ-LZLYRXPVSA-N 2 1 359.917 2.780 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442733 984545133 /nfs/dbraw/zinc/54/51/33/984545133.db2.gz MVFKOVVMYCQENP-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442733 984545134 /nfs/dbraw/zinc/54/51/34/984545134.db2.gz MVFKOVVMYCQENP-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442733 984545137 /nfs/dbraw/zinc/54/51/37/984545137.db2.gz MVFKOVVMYCQENP-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107553728 984684650 /nfs/dbraw/zinc/68/46/50/984684650.db2.gz NEQVGIWKCBSSBZ-FYYLOGMGSA-N 2 1 367.537 2.545 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107553728 984684654 /nfs/dbraw/zinc/68/46/54/984684654.db2.gz NEQVGIWKCBSSBZ-FYYLOGMGSA-N 2 1 367.537 2.545 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107553728 984684657 /nfs/dbraw/zinc/68/46/57/984684657.db2.gz NEQVGIWKCBSSBZ-FYYLOGMGSA-N 2 1 367.537 2.545 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000170912928 985173518 /nfs/dbraw/zinc/17/35/18/985173518.db2.gz FIEDTCYBHZCTGA-UHFFFAOYSA-N 2 1 366.509 2.936 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033085235 988753673 /nfs/dbraw/zinc/75/36/73/988753673.db2.gz QJFBMCLGLVEAHB-GUDVDZBRSA-N 2 1 356.514 2.653 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001033837734 989751417 /nfs/dbraw/zinc/75/14/17/989751417.db2.gz JFNOGRIBTRPVPT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001033837734 989751421 /nfs/dbraw/zinc/75/14/21/989751421.db2.gz JFNOGRIBTRPVPT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001033837734 989751425 /nfs/dbraw/zinc/75/14/25/989751425.db2.gz JFNOGRIBTRPVPT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001033837734 989751426 /nfs/dbraw/zinc/75/14/26/989751426.db2.gz JFNOGRIBTRPVPT-FDFHNCONSA-N 2 1 367.537 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108247 990168644 /nfs/dbraw/zinc/16/86/44/990168644.db2.gz HWCAKYVCPYUSDS-FKBYEOEOSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108247 990168650 /nfs/dbraw/zinc/16/86/50/990168650.db2.gz HWCAKYVCPYUSDS-FKBYEOEOSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108247 990168655 /nfs/dbraw/zinc/16/86/55/990168655.db2.gz HWCAKYVCPYUSDS-FKBYEOEOSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108247 990168661 /nfs/dbraw/zinc/16/86/61/990168661.db2.gz HWCAKYVCPYUSDS-FKBYEOEOSA-N 2 1 365.521 2.597 20 30 FFEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001006029794 991022247 /nfs/dbraw/zinc/02/22/47/991022247.db2.gz VWJDERKCRLIRIL-RTWAWAEBSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079205997 991883042 /nfs/dbraw/zinc/88/30/42/991883042.db2.gz PYXNODNVFRDUIB-LSTHTHJFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079300315 991955752 /nfs/dbraw/zinc/95/57/52/991955752.db2.gz BPRZMDYEWAYTJG-SXLOBPIMSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)CC2(C)C)CC[N@H+]1C ZINC000940757320 992147382 /nfs/dbraw/zinc/14/73/82/992147382.db2.gz ZKJFTHWGDCMXKE-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)CC[NH+]1C ZINC000940757320 992147386 /nfs/dbraw/zinc/14/73/86/992147386.db2.gz ZKJFTHWGDCMXKE-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)CC2(C)C)CC[NH+]1C ZINC000940757320 992147393 /nfs/dbraw/zinc/14/73/93/992147393.db2.gz ZKJFTHWGDCMXKE-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849723 992532602 /nfs/dbraw/zinc/53/26/02/992532602.db2.gz WLTXWRSYQQFNIN-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849723 992532610 /nfs/dbraw/zinc/53/26/10/992532610.db2.gz WLTXWRSYQQFNIN-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849723 992532619 /nfs/dbraw/zinc/53/26/19/992532619.db2.gz WLTXWRSYQQFNIN-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849723 992532631 /nfs/dbraw/zinc/53/26/31/992532631.db2.gz WLTXWRSYQQFNIN-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001084417803 996517938 /nfs/dbraw/zinc/51/79/38/996517938.db2.gz GDTXHXPVRRKDED-BHIFYINESA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001084417803 996517942 /nfs/dbraw/zinc/51/79/42/996517942.db2.gz GDTXHXPVRRKDED-BHIFYINESA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001084417803 996517949 /nfs/dbraw/zinc/51/79/49/996517949.db2.gz GDTXHXPVRRKDED-BHIFYINESA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001084417803 996517955 /nfs/dbraw/zinc/51/79/55/996517955.db2.gz GDTXHXPVRRKDED-BHIFYINESA-N 2 1 371.569 2.977 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001171070438 997118503 /nfs/dbraw/zinc/11/85/03/997118503.db2.gz BKPUBQWPIHMVCB-ROUUACIJSA-N 2 1 360.502 2.877 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001171070438 997118509 /nfs/dbraw/zinc/11/85/09/997118509.db2.gz BKPUBQWPIHMVCB-ROUUACIJSA-N 2 1 360.502 2.877 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747460 1016240032 /nfs/dbraw/zinc/24/00/32/1016240032.db2.gz OWGMIHMZWSCFMW-CIAFKFPVSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747460 1016240035 /nfs/dbraw/zinc/24/00/35/1016240035.db2.gz OWGMIHMZWSCFMW-CIAFKFPVSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747460 1016240042 /nfs/dbraw/zinc/24/00/42/1016240042.db2.gz OWGMIHMZWSCFMW-CIAFKFPVSA-N 2 1 367.537 2.973 20 30 FFEDMP COc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C#N ZINC000742369561 999772191 /nfs/dbraw/zinc/77/21/91/999772191.db2.gz KUHASIBVLPRWJE-NRFANRHFSA-N 2 1 364.493 2.645 20 30 FFEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109419598 1000412073 /nfs/dbraw/zinc/41/20/73/1000412073.db2.gz WUQCUSGWXKQUMK-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109419598 1000412080 /nfs/dbraw/zinc/41/20/80/1000412080.db2.gz WUQCUSGWXKQUMK-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109419598 1000412085 /nfs/dbraw/zinc/41/20/85/1000412085.db2.gz WUQCUSGWXKQUMK-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109419598 1000412088 /nfs/dbraw/zinc/41/20/88/1000412088.db2.gz WUQCUSGWXKQUMK-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109653756 1000788612 /nfs/dbraw/zinc/78/86/12/1000788612.db2.gz FXEVJABZHBNUPU-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109653756 1000788619 /nfs/dbraw/zinc/78/86/19/1000788619.db2.gz FXEVJABZHBNUPU-AABGKKOBSA-N 2 1 373.928 2.755 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091672835 1001026913 /nfs/dbraw/zinc/02/69/13/1001026913.db2.gz VBJRBXQSWLAFEE-KNKQGSTJSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091672835 1001026918 /nfs/dbraw/zinc/02/69/18/1001026918.db2.gz VBJRBXQSWLAFEE-KNKQGSTJSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091672835 1001026921 /nfs/dbraw/zinc/02/69/21/1001026921.db2.gz VBJRBXQSWLAFEE-KNKQGSTJSA-N 2 1 359.558 2.997 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001091748270 1001214318 /nfs/dbraw/zinc/21/43/18/1001214318.db2.gz IGKSSABPHYTQON-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001091748270 1001214322 /nfs/dbraw/zinc/21/43/22/1001214322.db2.gz IGKSSABPHYTQON-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001091748270 1001214329 /nfs/dbraw/zinc/21/43/29/1001214329.db2.gz IGKSSABPHYTQON-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001091748270 1001214334 /nfs/dbraw/zinc/21/43/34/1001214334.db2.gz IGKSSABPHYTQON-GIWBLDEGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112561268 1001479096 /nfs/dbraw/zinc/47/90/96/1001479096.db2.gz OOUFAMASYJDQSK-ONTIZHBOSA-N 2 1 359.558 2.883 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586010 1001537592 /nfs/dbraw/zinc/53/75/92/1001537592.db2.gz CQFKCKZNBGVTNY-VWPQPMDRSA-N 2 1 353.510 2.531 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001092605260 1003217226 /nfs/dbraw/zinc/21/72/26/1003217226.db2.gz YKMSTOXVDNZVMD-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092605260 1003217233 /nfs/dbraw/zinc/21/72/33/1003217233.db2.gz YKMSTOXVDNZVMD-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092605260 1003217237 /nfs/dbraw/zinc/21/72/37/1003217237.db2.gz YKMSTOXVDNZVMD-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001186203208 1003221637 /nfs/dbraw/zinc/22/16/37/1003221637.db2.gz GWQAVQRBCBALFB-UYAOXDASSA-N 2 1 370.472 2.739 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001186203208 1003221644 /nfs/dbraw/zinc/22/16/44/1003221644.db2.gz GWQAVQRBCBALFB-UYAOXDASSA-N 2 1 370.472 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001092689601 1003492686 /nfs/dbraw/zinc/49/26/86/1003492686.db2.gz NUAVQQOYBWWVTI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001092689601 1003492693 /nfs/dbraw/zinc/49/26/93/1003492693.db2.gz NUAVQQOYBWWVTI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001092689601 1003492697 /nfs/dbraw/zinc/49/26/97/1003492697.db2.gz NUAVQQOYBWWVTI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001092689601 1003492704 /nfs/dbraw/zinc/49/27/04/1003492704.db2.gz NUAVQQOYBWWVTI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC001186990263 1003521321 /nfs/dbraw/zinc/52/13/21/1003521321.db2.gz WEHCAQYTKSTJGU-UHFFFAOYSA-N 2 1 364.497 2.963 20 30 FFEDMP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC001186990263 1003521327 /nfs/dbraw/zinc/52/13/27/1003521327.db2.gz WEHCAQYTKSTJGU-UHFFFAOYSA-N 2 1 364.497 2.963 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852859130 1006210470 /nfs/dbraw/zinc/21/04/70/1006210470.db2.gz QCMFZZSVEKLIRL-KDURUIRLSA-N 2 1 367.537 2.784 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001086720969 1006258611 /nfs/dbraw/zinc/25/86/11/1006258611.db2.gz YDQGRGFHMWSTPT-NNWRFLSQSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001086720969 1006258625 /nfs/dbraw/zinc/25/86/25/1006258625.db2.gz YDQGRGFHMWSTPT-NNWRFLSQSA-N 2 1 367.537 2.776 20 30 FFEDMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001189159772 1006931179 /nfs/dbraw/zinc/93/11/79/1006931179.db2.gz KRDQTCQZDNPHPU-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001189159772 1006931185 /nfs/dbraw/zinc/93/11/85/1006931185.db2.gz KRDQTCQZDNPHPU-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001189159772 1006931192 /nfs/dbraw/zinc/93/11/92/1006931192.db2.gz KRDQTCQZDNPHPU-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001086786053 1007388605 /nfs/dbraw/zinc/38/86/05/1007388605.db2.gz GYHOJJWVRQJDBQ-RYLXDESZSA-N 2 1 368.525 2.663 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000104180310 1009932605 /nfs/dbraw/zinc/93/26/05/1009932605.db2.gz MFHFXUDMQPCBNJ-INIZCTEOSA-N 2 1 371.460 2.902 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC(C)C)CC1 ZINC001110147385 1010347115 /nfs/dbraw/zinc/34/71/15/1010347115.db2.gz ZOZFBMYFFXGFBU-PBASOCQRSA-N 2 1 359.558 2.735 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N ZINC001095405923 1010454729 /nfs/dbraw/zinc/45/47/29/1010454729.db2.gz FKZBMFLAWMEAPE-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)cc1 ZINC001110148275 1010487600 /nfs/dbraw/zinc/48/76/00/1010487600.db2.gz RLNMXEIDALCZLA-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093835819 1010606239 /nfs/dbraw/zinc/60/62/39/1010606239.db2.gz LABPZVNFVANUOA-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990413 1012159445 /nfs/dbraw/zinc/15/94/45/1012159445.db2.gz NVRMVOCVIDCPLK-IRXDYDNUSA-N 2 1 352.523 2.942 20 30 FFEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C2CCC(CC#N)CC2)CC1 ZINC001173334380 1012448451 /nfs/dbraw/zinc/44/84/51/1012448451.db2.gz XEGSODXANUMZBG-CGNZLSCGSA-N 2 1 372.557 2.866 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000303890172 1012501757 /nfs/dbraw/zinc/50/17/57/1012501757.db2.gz MHVUWFHOHZFDMK-UHFFFAOYSA-N 2 1 368.481 2.879 20 30 FFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000303898966 1012508462 /nfs/dbraw/zinc/50/84/62/1012508462.db2.gz VUZOWFLJRSGLJR-MRXNPFEDSA-N 2 1 372.435 2.735 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000678465540 1017232895 /nfs/dbraw/zinc/23/28/95/1017232895.db2.gz WLLOVZVOBGKEBH-UHFFFAOYSA-N 2 1 356.514 2.821 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001052395747 1017397328 /nfs/dbraw/zinc/39/73/28/1017397328.db2.gz ZBCOXVGEZLPXPZ-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001052395747 1017397340 /nfs/dbraw/zinc/39/73/40/1017397340.db2.gz ZBCOXVGEZLPXPZ-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001052395747 1017397348 /nfs/dbraw/zinc/39/73/48/1017397348.db2.gz ZBCOXVGEZLPXPZ-QHAWAJNXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCN1C(=O)C2(CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC001276757109 1032788118 /nfs/dbraw/zinc/78/81/18/1032788118.db2.gz PMXAWKATVFJZAJ-HXUWFJFHSA-N 2 1 353.510 2.932 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000900045643 1020153191 /nfs/dbraw/zinc/15/31/91/1020153191.db2.gz PQMBYJDFTXCMNR-RTWAWAEBSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)cc1 ZINC000900045643 1020153197 /nfs/dbraw/zinc/15/31/97/1020153197.db2.gz PQMBYJDFTXCMNR-RTWAWAEBSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC2)cc1 ZINC000900045643 1020153208 /nfs/dbraw/zinc/15/32/08/1020153208.db2.gz PQMBYJDFTXCMNR-RTWAWAEBSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC2)cc1 ZINC000900045643 1020153217 /nfs/dbraw/zinc/15/32/17/1020153217.db2.gz PQMBYJDFTXCMNR-RTWAWAEBSA-N 2 1 366.509 2.609 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)CCc1ccccc1)C2 ZINC001111032930 1020813820 /nfs/dbraw/zinc/81/38/20/1020813820.db2.gz YCPMQUBPIOKXEK-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111032930 1020813826 /nfs/dbraw/zinc/81/38/26/1020813826.db2.gz YCPMQUBPIOKXEK-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111032930 1020813832 /nfs/dbraw/zinc/81/38/32/1020813832.db2.gz YCPMQUBPIOKXEK-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111032930 1020813838 /nfs/dbraw/zinc/81/38/38/1020813838.db2.gz YCPMQUBPIOKXEK-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111032930 1020813842 /nfs/dbraw/zinc/81/38/42/1020813842.db2.gz YCPMQUBPIOKXEK-NJYVYQBISA-N 2 1 355.526 2.849 20 30 FFEDMP CCCCCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371653 1020854125 /nfs/dbraw/zinc/85/41/25/1020854125.db2.gz CJGDXDOWIPRKSK-UYAOXDASSA-N 2 1 367.578 2.582 20 30 FFEDMP CCCCCCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371653 1020854133 /nfs/dbraw/zinc/85/41/33/1020854133.db2.gz CJGDXDOWIPRKSK-UYAOXDASSA-N 2 1 367.578 2.582 20 30 FFEDMP CCCCCCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371653 1020854144 /nfs/dbraw/zinc/85/41/44/1020854144.db2.gz CJGDXDOWIPRKSK-UYAOXDASSA-N 2 1 367.578 2.582 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098913845 1021404136 /nfs/dbraw/zinc/40/41/36/1021404136.db2.gz IOUDOZSWYNUBBU-KXBFYZLASA-N 2 1 358.873 2.980 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098913845 1021404141 /nfs/dbraw/zinc/40/41/41/1021404141.db2.gz IOUDOZSWYNUBBU-KXBFYZLASA-N 2 1 358.873 2.980 20 30 FFEDMP N#Cc1cccnc1NCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001117697158 1021822833 /nfs/dbraw/zinc/82/28/33/1021822833.db2.gz XDVBFEAYPDEXFB-UHFFFAOYSA-N 2 1 367.472 2.801 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1 ZINC001218232170 1033060082 /nfs/dbraw/zinc/06/00/82/1033060082.db2.gz UZDUXQZAMJHDPL-VQTJNVASSA-N 2 1 368.481 2.606 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001039440912 1022755578 /nfs/dbraw/zinc/75/55/78/1022755578.db2.gz IBLJSOLFZCCQSS-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001039440912 1022755584 /nfs/dbraw/zinc/75/55/84/1022755584.db2.gz IBLJSOLFZCCQSS-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001039440912 1022755596 /nfs/dbraw/zinc/75/55/96/1022755596.db2.gz IBLJSOLFZCCQSS-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001040415795 1022848750 /nfs/dbraw/zinc/84/87/50/1022848750.db2.gz QWHPPLYSJLDEOH-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001040415795 1022848764 /nfs/dbraw/zinc/84/87/64/1022848764.db2.gz QWHPPLYSJLDEOH-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001040415795 1022848778 /nfs/dbraw/zinc/84/87/78/1022848778.db2.gz QWHPPLYSJLDEOH-GIWBLDEGSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270164 1022881783 /nfs/dbraw/zinc/88/17/83/1022881783.db2.gz INKBYLFSRQVDKF-MXEMCNAFSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270164 1022881799 /nfs/dbraw/zinc/88/17/99/1022881799.db2.gz INKBYLFSRQVDKF-MXEMCNAFSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270164 1022881819 /nfs/dbraw/zinc/88/18/19/1022881819.db2.gz INKBYLFSRQVDKF-MXEMCNAFSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270164 1022881840 /nfs/dbraw/zinc/88/18/40/1022881840.db2.gz INKBYLFSRQVDKF-MXEMCNAFSA-N 2 1 371.525 2.604 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000752102587 1023064250 /nfs/dbraw/zinc/06/42/50/1023064250.db2.gz LXBAUGBTVPSMMI-YSFYHYPLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000752102587 1023064260 /nfs/dbraw/zinc/06/42/60/1023064260.db2.gz LXBAUGBTVPSMMI-YSFYHYPLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000752102587 1023064272 /nfs/dbraw/zinc/06/42/72/1023064272.db2.gz LXBAUGBTVPSMMI-YSFYHYPLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000752102587 1023064282 /nfs/dbraw/zinc/06/42/82/1023064282.db2.gz LXBAUGBTVPSMMI-YSFYHYPLSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001120496805 1023341406 /nfs/dbraw/zinc/34/14/06/1023341406.db2.gz KWZOSBGLJCMLGK-INIZCTEOSA-N 2 1 370.415 2.522 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122602926 1023362209 /nfs/dbraw/zinc/36/22/09/1023362209.db2.gz YYSMLNPAQGTZFY-MOPGFXCFSA-N 2 1 372.561 2.728 20 30 FFEDMP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000756912444 1023768558 /nfs/dbraw/zinc/76/85/58/1023768558.db2.gz SYBRUKQCQLGGKA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000756912444 1023768563 /nfs/dbraw/zinc/76/85/63/1023768563.db2.gz SYBRUKQCQLGGKA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000756912444 1023768564 /nfs/dbraw/zinc/76/85/64/1023768564.db2.gz SYBRUKQCQLGGKA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000756912444 1023768566 /nfs/dbraw/zinc/76/85/66/1023768566.db2.gz SYBRUKQCQLGGKA-UHFFFAOYSA-N 2 1 367.537 2.907 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364713 1024552703 /nfs/dbraw/zinc/55/27/03/1024552703.db2.gz YSFQZCYIPIGSBX-JRGCBEDISA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364713 1024552712 /nfs/dbraw/zinc/55/27/12/1024552712.db2.gz YSFQZCYIPIGSBX-JRGCBEDISA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364713 1024552716 /nfs/dbraw/zinc/55/27/16/1024552716.db2.gz YSFQZCYIPIGSBX-JRGCBEDISA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366630 1024557243 /nfs/dbraw/zinc/55/72/43/1024557243.db2.gz CHHRRKFLDPFSSW-IRLDBZIGSA-N 2 1 355.526 2.517 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366630 1024557245 /nfs/dbraw/zinc/55/72/45/1024557245.db2.gz CHHRRKFLDPFSSW-IRLDBZIGSA-N 2 1 355.526 2.517 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366630 1024557250 /nfs/dbraw/zinc/55/72/50/1024557250.db2.gz CHHRRKFLDPFSSW-IRLDBZIGSA-N 2 1 355.526 2.517 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111412020 1025301907 /nfs/dbraw/zinc/30/19/07/1025301907.db2.gz YJXPLNZVCHJCNE-NMLBUPMWSA-N 2 1 365.562 2.647 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001102140740 1025474095 /nfs/dbraw/zinc/47/40/95/1025474095.db2.gz CHKULOHTXHIULZ-FGTMMUONSA-N 2 1 367.497 2.920 20 30 FFEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001102356684 1025797724 /nfs/dbraw/zinc/79/77/24/1025797724.db2.gz VEKOENCZBFAKFW-CEMLEFRQSA-N 2 1 369.553 2.843 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598848 1026396336 /nfs/dbraw/zinc/39/63/36/1026396336.db2.gz CMKYHNLEDSQCNM-WIYYLYMNSA-N 2 1 368.525 2.618 20 30 FFEDMP C=CCN1CCN(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000839985945 1026897765 /nfs/dbraw/zinc/89/77/65/1026897765.db2.gz JMJXXDRKCKHUCI-UHFFFAOYSA-N 2 1 356.514 2.712 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001103099759 1026961576 /nfs/dbraw/zinc/96/15/76/1026961576.db2.gz XSRIEIQWJKYQAF-RLLQIKCJSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001103099759 1026961587 /nfs/dbraw/zinc/96/15/87/1026961587.db2.gz XSRIEIQWJKYQAF-RLLQIKCJSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001103099759 1026961593 /nfs/dbraw/zinc/96/15/93/1026961593.db2.gz XSRIEIQWJKYQAF-RLLQIKCJSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001103099759 1026961604 /nfs/dbraw/zinc/96/16/04/1026961604.db2.gz XSRIEIQWJKYQAF-RLLQIKCJSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCCCCC)C[C@H]2C)CC1 ZINC001103752674 1028137747 /nfs/dbraw/zinc/13/77/47/1028137747.db2.gz TTWBNMLUZWXGJB-TZIWHRDSSA-N 2 1 361.574 2.986 20 30 FFEDMP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001162811041 1028664151 /nfs/dbraw/zinc/66/41/51/1028664151.db2.gz XVLJUQKAEARTDT-LEWJYISDSA-N 2 1 357.542 2.954 20 30 FFEDMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1cccc(C#N)c1)C2)C1CCC1 ZINC001111778035 1029425445 /nfs/dbraw/zinc/42/54/45/1029425445.db2.gz DUBGJCYRFYMZKI-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C(F)(F)F ZINC001112103579 1030013211 /nfs/dbraw/zinc/01/32/11/1030013211.db2.gz NQNMWVPPAMQIDS-ZJIFWQFVSA-N 2 1 361.452 2.662 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206474 1030240744 /nfs/dbraw/zinc/24/07/44/1030240744.db2.gz QVGRNRDXWCSUQI-ARFHVFGLSA-N 2 1 361.452 2.663 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001112359648 1030652123 /nfs/dbraw/zinc/65/21/23/1030652123.db2.gz CPJYTTHFBZTNGO-LQWHRVPQSA-N 2 1 356.514 2.638 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112396854 1030740861 /nfs/dbraw/zinc/74/08/61/1030740861.db2.gz HHROMVHGTWXIKO-UEXGIBASSA-N 2 1 356.514 2.945 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396886 1030741638 /nfs/dbraw/zinc/74/16/38/1030741638.db2.gz INLGHHXSRYXYTM-VCOUNFBDSA-N 2 1 357.542 2.635 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)C1 ZINC001205001204 1031484157 /nfs/dbraw/zinc/48/41/57/1031484157.db2.gz PJLIVBTVWRDUQB-JOCHJYFZSA-N 2 1 369.509 2.943 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205293301 1031653068 /nfs/dbraw/zinc/65/30/68/1031653068.db2.gz YWQOPVDZSZWSLZ-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP N#Cc1c2c(cnc1-c1ccc(CC[NH+]3CCOCC3)cc1)C[NH2+]CCC2 ZINC001205606419 1031865647 /nfs/dbraw/zinc/86/56/47/1031865647.db2.gz BBRYMKPBUOIDET-UHFFFAOYSA-N 2 1 362.477 2.531 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740196 1034364592 /nfs/dbraw/zinc/36/45/92/1034364592.db2.gz BPDSNCAZHHXRTE-UXHICEINSA-N 2 1 367.578 2.796 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)C1=O ZINC001138770868 1034637532 /nfs/dbraw/zinc/63/75/32/1034637532.db2.gz VIMOTBRBNKRCKG-JOCHJYFZSA-N 2 1 371.525 2.628 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001277735442 1036161034 /nfs/dbraw/zinc/16/10/34/1036161034.db2.gz SPSXFRGCOXTMRY-FPOVZHCZSA-N 2 1 367.578 2.726 20 30 FFEDMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001228602084 1036199004 /nfs/dbraw/zinc/19/90/04/1036199004.db2.gz CFWRGRHAJLWURW-IOMROCGXSA-N 2 1 371.500 2.536 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208739744 1038503546 /nfs/dbraw/zinc/50/35/46/1038503546.db2.gz XRARNKQDOQMPIU-HSALFYBXSA-N 2 1 367.578 2.894 20 30 FFEDMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001208925585 1038591171 /nfs/dbraw/zinc/59/11/71/1038591171.db2.gz IWLKJLKYMCATQE-HXUWFJFHSA-N 2 1 369.509 2.840 20 30 FFEDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001208925585 1038591176 /nfs/dbraw/zinc/59/11/76/1038591176.db2.gz IWLKJLKYMCATQE-HXUWFJFHSA-N 2 1 369.509 2.840 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256898725 1038650057 /nfs/dbraw/zinc/65/00/57/1038650057.db2.gz OTAHUQVJWGMEAN-MOPGFXCFSA-N 2 1 355.526 2.888 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256898725 1038650061 /nfs/dbraw/zinc/65/00/61/1038650061.db2.gz OTAHUQVJWGMEAN-MOPGFXCFSA-N 2 1 355.526 2.888 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829890 1039255335 /nfs/dbraw/zinc/25/53/35/1039255335.db2.gz MGEOPLCBTSTICV-IEBWSBKVSA-N 2 1 353.551 2.504 20 30 FFEDMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246151598 1039257800 /nfs/dbraw/zinc/25/78/00/1039257800.db2.gz JOAAHLKFRCDATR-FDYSRKEFSA-N 2 1 361.461 2.790 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246302189 1039305540 /nfs/dbraw/zinc/30/55/40/1039305540.db2.gz BODMFMHYCBCEFZ-BBRMVZONSA-N 2 1 370.415 2.778 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001247000165 1039573889 /nfs/dbraw/zinc/57/38/89/1039573889.db2.gz HFVMRKDLNRCALJ-VAMGGRTRSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001247000165 1039573907 /nfs/dbraw/zinc/57/39/07/1039573907.db2.gz HFVMRKDLNRCALJ-VAMGGRTRSA-N 2 1 357.498 2.726 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001253240421 1040065900 /nfs/dbraw/zinc/06/59/00/1040065900.db2.gz KUGHQESXDMWWFQ-HXUWFJFHSA-N 2 1 365.562 2.536 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449703 1040561474 /nfs/dbraw/zinc/56/14/74/1040561474.db2.gz SOCPGBDFKVPGHC-QZTJIDSGSA-N 2 1 355.567 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449703 1040561492 /nfs/dbraw/zinc/56/14/92/1040561492.db2.gz SOCPGBDFKVPGHC-QZTJIDSGSA-N 2 1 355.567 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449703 1040561507 /nfs/dbraw/zinc/56/15/07/1040561507.db2.gz SOCPGBDFKVPGHC-QZTJIDSGSA-N 2 1 355.567 2.750 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213523829 1040639635 /nfs/dbraw/zinc/63/96/35/1040639635.db2.gz ZNBQYSMTIGOZEG-XUVXKRRUSA-N 2 1 365.562 2.813 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868499 1041011115 /nfs/dbraw/zinc/01/11/15/1041011115.db2.gz YEKKVURNJBKFSY-WOJBJXKFSA-N 2 1 365.562 2.814 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916829 1041073136 /nfs/dbraw/zinc/07/31/36/1041073136.db2.gz MHBSAMIWHGNVRI-RTBURBONSA-N 2 1 353.551 2.648 20 30 FFEDMP C=CCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132291 1041166253 /nfs/dbraw/zinc/16/62/53/1041166253.db2.gz TVQIWULULOYORB-PLACYPQZSA-N 2 1 353.510 2.949 20 30 FFEDMP C=CCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132291 1041166259 /nfs/dbraw/zinc/16/62/59/1041166259.db2.gz TVQIWULULOYORB-PLACYPQZSA-N 2 1 353.510 2.949 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001261552657 1041305281 /nfs/dbraw/zinc/30/52/81/1041305281.db2.gz ZAVITPTYAYSMHY-INIZCTEOSA-N 2 1 368.485 2.899 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001278591193 1041306226 /nfs/dbraw/zinc/30/62/26/1041306226.db2.gz MSQVYKNTFBGLPT-UHFFFAOYSA-N 2 1 350.470 2.555 20 30 FFEDMP C#CCCN1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255388977 1041313198 /nfs/dbraw/zinc/31/31/98/1041313198.db2.gz AWPQBDZBTYGRCI-RTWAWAEBSA-N 2 1 353.510 2.645 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557766 1041827300 /nfs/dbraw/zinc/82/73/00/1041827300.db2.gz CAWCWICDPBUQMK-SFHLNBCPSA-N 2 1 357.542 2.952 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001264099680 1042625384 /nfs/dbraw/zinc/62/53/84/1042625384.db2.gz LIPWRXTZGGGBKT-RTWAWAEBSA-N 2 1 368.525 2.570 20 30 FFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C1 ZINC001264656996 1042774304 /nfs/dbraw/zinc/77/43/04/1042774304.db2.gz IQQWPNUXPWXEGA-MOPGFXCFSA-N 2 1 358.530 2.879 20 30 FFEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001279224926 1042952026 /nfs/dbraw/zinc/95/20/26/1042952026.db2.gz UYEXFBMKJXTFIP-YQQQUEKLSA-N 2 1 351.498 2.686 20 30 FFEDMP N#Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccn1 ZINC001237461749 1043180715 /nfs/dbraw/zinc/18/07/15/1043180715.db2.gz CTJIFMJRRALOKD-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001278134079 1043318395 /nfs/dbraw/zinc/31/83/95/1043318395.db2.gz CUKTVFQAULKBLZ-JOCHJYFZSA-N 2 1 354.542 2.840 20 30 FFEDMP C=CCCCCC[N@H+]1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001279829698 1043733100 /nfs/dbraw/zinc/73/31/00/1043733100.db2.gz MLVWJRYZUSAEHJ-UHFFFAOYSA-N 2 1 358.530 2.943 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279864869 1043797146 /nfs/dbraw/zinc/79/71/46/1043797146.db2.gz KBOHJXMOKPPYAI-YLJYHZDGSA-N 2 1 361.534 2.676 20 30 FFEDMP Cc1ccc(C#N)c(NC(=O)C23CC([NH2+]C[C@@H]4CCC[N@H+](C)C4)(C2)C3)c1 ZINC001280260888 1044491108 /nfs/dbraw/zinc/49/11/08/1044491108.db2.gz SWKCMFXSVHIJHM-ATIQYGATSA-N 2 1 352.482 2.659 20 30 FFEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC/C=C/CC)CC1 ZINC001324396066 1046004228 /nfs/dbraw/zinc/00/42/28/1046004228.db2.gz CPLKWXDHBAPMPJ-FIKIWUFISA-N 2 1 359.558 2.999 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001333338461 1048847059 /nfs/dbraw/zinc/84/70/59/1048847059.db2.gz ZFHPTQYZRSSXRR-CQSZACIVSA-N 2 1 361.877 2.957 20 30 FFEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001330662954 1049259569 /nfs/dbraw/zinc/25/95/69/1049259569.db2.gz UTEPSHIPXUPERO-WLRLJWMZSA-N 2 1 355.526 2.782 20 30 FFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001340263781 1050668669 /nfs/dbraw/zinc/66/86/69/1050668669.db2.gz ISPCSROMHPRLAQ-SQNIBIBYSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c(CN2CCCC2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001340589663 1050975528 /nfs/dbraw/zinc/97/55/28/1050975528.db2.gz ZNQMQHBUFXRTLD-MJGOQNOKSA-N 2 1 370.545 2.513 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001343824358 1052438934 /nfs/dbraw/zinc/43/89/34/1052438934.db2.gz UQAIOFFTZCLNHJ-OKZBNKHCSA-N 2 1 360.550 2.582 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001356076891 1055268450 /nfs/dbraw/zinc/26/84/50/1055268450.db2.gz XRMKYIXNPYHVES-SFHVURJKSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001356076891 1055268455 /nfs/dbraw/zinc/26/84/55/1055268455.db2.gz XRMKYIXNPYHVES-SFHVURJKSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001356076891 1055268470 /nfs/dbraw/zinc/26/84/70/1055268470.db2.gz XRMKYIXNPYHVES-SFHVURJKSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001356076891 1055268486 /nfs/dbraw/zinc/26/84/86/1055268486.db2.gz XRMKYIXNPYHVES-SFHVURJKSA-N 2 1 360.550 2.787 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001100156045 1055845051 /nfs/dbraw/zinc/84/50/51/1055845051.db2.gz NSJXSUKIXRYTRA-HBMCJLEFSA-N 2 1 371.525 2.640 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001500498818 1058505126 /nfs/dbraw/zinc/50/51/26/1058505126.db2.gz NMBCHMSIWRWMNQ-KJXAQDMKSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001500498818 1058505146 /nfs/dbraw/zinc/50/51/46/1058505146.db2.gz NMBCHMSIWRWMNQ-KJXAQDMKSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001500498818 1058505168 /nfs/dbraw/zinc/50/51/68/1058505168.db2.gz NMBCHMSIWRWMNQ-KJXAQDMKSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000848533545 1060235060 /nfs/dbraw/zinc/23/50/60/1060235060.db2.gz IVGRMYAVICQFNU-LJQANCHMSA-N 2 1 360.498 2.775 20 30 FFEDMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1ccc(C#N)cc1 ZINC001493292016 1063129397 /nfs/dbraw/zinc/12/93/97/1063129397.db2.gz WYKLVZMUYVOXLK-VQTJNVASSA-N 2 1 356.514 2.617 20 30 FFEDMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1ccc(C#N)cc1 ZINC001493292016 1063129409 /nfs/dbraw/zinc/12/94/09/1063129409.db2.gz WYKLVZMUYVOXLK-VQTJNVASSA-N 2 1 356.514 2.617 20 30 FFEDMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1ccc(C#N)cc1 ZINC001493292016 1063129416 /nfs/dbraw/zinc/12/94/16/1063129416.db2.gz WYKLVZMUYVOXLK-VQTJNVASSA-N 2 1 356.514 2.617 20 30 FFEDMP C=CC1(CC(=O)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C[NH2+]C1 ZINC001574880393 1078089602 /nfs/dbraw/zinc/08/96/02/1078089602.db2.gz MZAUHZOQHSSREJ-OYRHEFFESA-N 2 1 353.510 2.523 20 30 FFEDMP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473487949 1065272734 /nfs/dbraw/zinc/27/27/34/1065272734.db2.gz BQKBLYQZKVOKPQ-UYAOXDASSA-N 2 1 361.917 2.985 20 30 FFEDMP C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001473531163 1065279727 /nfs/dbraw/zinc/27/97/27/1065279727.db2.gz PLQQYOAWAJJBJR-JOCHJYFZSA-N 2 1 367.537 2.893 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001566014842 1076849467 /nfs/dbraw/zinc/84/94/67/1076849467.db2.gz MAXRXSJOUOFYRG-VQTJNVASSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001566014842 1076849469 /nfs/dbraw/zinc/84/94/69/1076849469.db2.gz MAXRXSJOUOFYRG-VQTJNVASSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001566014842 1076849474 /nfs/dbraw/zinc/84/94/74/1076849474.db2.gz MAXRXSJOUOFYRG-VQTJNVASSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC001574518485 1078007432 /nfs/dbraw/zinc/00/74/32/1078007432.db2.gz YCHWRAUVAAFFKM-XMSQKQJNSA-N 2 1 353.510 2.680 20 30 FFEDMP COc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1C#N ZINC000288710464 257219921 /nfs/dbraw/zinc/21/99/21/257219921.db2.gz ZESSQLFPIQZFKC-UHFFFAOYSA-N 2 1 354.454 2.582 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000371108391 512222708 /nfs/dbraw/zinc/22/27/08/512222708.db2.gz IVFBQFYVORTROS-RTBURBONSA-N 2 1 360.477 2.521 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843909 507340665 /nfs/dbraw/zinc/34/06/65/507340665.db2.gz ZXIPHDZQLMFCGU-QFIPXVFZSA-N 2 1 370.541 2.885 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843909 507340672 /nfs/dbraw/zinc/34/06/72/507340672.db2.gz ZXIPHDZQLMFCGU-QFIPXVFZSA-N 2 1 370.541 2.885 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000050031946 507654359 /nfs/dbraw/zinc/65/43/59/507654359.db2.gz ZAXZJAVFRIJSLV-IBGZPJMESA-N 2 1 367.537 2.880 20 30 FFEDMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377629525 512364228 /nfs/dbraw/zinc/36/42/28/512364228.db2.gz PMOILCAWKKLLAX-OAQYLSRUSA-N 2 1 355.526 2.689 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687370 508203945 /nfs/dbraw/zinc/20/39/45/508203945.db2.gz HWEQJANWBAFDMX-HXUWFJFHSA-N 2 1 359.489 2.947 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687370 508203947 /nfs/dbraw/zinc/20/39/47/508203947.db2.gz HWEQJANWBAFDMX-HXUWFJFHSA-N 2 1 359.489 2.947 20 30 FFEDMP C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000157171022 508532125 /nfs/dbraw/zinc/53/21/25/508532125.db2.gz GXMMHPYXDFFFGA-UHFFFAOYSA-N 2 1 370.432 2.790 20 30 FFEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1C ZINC000123465176 508690867 /nfs/dbraw/zinc/69/08/67/508690867.db2.gz QWZNHSKNEPZBIE-ZIAGYGMSSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@H+]1C ZINC000123465176 508690870 /nfs/dbraw/zinc/69/08/70/508690870.db2.gz QWZNHSKNEPZBIE-ZIAGYGMSSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465176 508690873 /nfs/dbraw/zinc/69/08/73/508690873.db2.gz QWZNHSKNEPZBIE-ZIAGYGMSSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465176 508690878 /nfs/dbraw/zinc/69/08/78/508690878.db2.gz QWZNHSKNEPZBIE-ZIAGYGMSSA-N 2 1 360.527 2.852 20 30 FFEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826386 508795768 /nfs/dbraw/zinc/79/57/68/508795768.db2.gz BJPBSHRRJZTDAV-YOEHRIQHSA-N 2 1 372.538 2.853 20 30 FFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826386 508795770 /nfs/dbraw/zinc/79/57/70/508795770.db2.gz BJPBSHRRJZTDAV-YOEHRIQHSA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826386 508795773 /nfs/dbraw/zinc/79/57/73/508795773.db2.gz BJPBSHRRJZTDAV-YOEHRIQHSA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826386 508795776 /nfs/dbraw/zinc/79/57/76/508795776.db2.gz BJPBSHRRJZTDAV-YOEHRIQHSA-N 2 1 372.538 2.853 20 30 FFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000140050275 508799403 /nfs/dbraw/zinc/79/94/03/508799403.db2.gz NRYJTLZIRVKBAZ-QAPCUYQASA-N 2 1 360.889 2.956 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000140050275 508799406 /nfs/dbraw/zinc/79/94/06/508799406.db2.gz NRYJTLZIRVKBAZ-QAPCUYQASA-N 2 1 360.889 2.956 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000140050275 508799409 /nfs/dbraw/zinc/79/94/09/508799409.db2.gz NRYJTLZIRVKBAZ-QAPCUYQASA-N 2 1 360.889 2.956 20 30 FFEDMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000150995613 508936758 /nfs/dbraw/zinc/93/67/58/508936758.db2.gz PHZUCTNAUVXOIK-UHFFFAOYSA-N 2 1 374.504 2.757 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000248398581 509293854 /nfs/dbraw/zinc/29/38/54/509293854.db2.gz NMWGPSDFZDRMAW-JBYIUTFZSA-N 2 1 370.541 2.787 20 30 FFEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747563 510496960 /nfs/dbraw/zinc/49/69/60/510496960.db2.gz JYWDNKGKURQAMI-HOIFWPIMSA-N 2 1 368.525 2.541 20 30 FFEDMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560281 510556997 /nfs/dbraw/zinc/55/69/97/510556997.db2.gz BJPBSHRRJZTDAV-WMLDXEAASA-N 2 1 372.538 2.853 20 30 FFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560281 510557005 /nfs/dbraw/zinc/55/70/05/510557005.db2.gz BJPBSHRRJZTDAV-WMLDXEAASA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560281 510557009 /nfs/dbraw/zinc/55/70/09/510557009.db2.gz BJPBSHRRJZTDAV-WMLDXEAASA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560281 510557016 /nfs/dbraw/zinc/55/70/16/510557016.db2.gz BJPBSHRRJZTDAV-WMLDXEAASA-N 2 1 372.538 2.853 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000246926087 510749419 /nfs/dbraw/zinc/74/94/19/510749419.db2.gz QGLRTPNVLFGKRN-BHIYHBOVSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000246926087 510749424 /nfs/dbraw/zinc/74/94/24/510749424.db2.gz QGLRTPNVLFGKRN-BHIYHBOVSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000246926087 510749429 /nfs/dbraw/zinc/74/94/29/510749429.db2.gz QGLRTPNVLFGKRN-BHIYHBOVSA-N 2 1 362.514 2.578 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000246926087 510749435 /nfs/dbraw/zinc/74/94/35/510749435.db2.gz QGLRTPNVLFGKRN-BHIYHBOVSA-N 2 1 362.514 2.578 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330028091 510902793 /nfs/dbraw/zinc/90/27/93/510902793.db2.gz NYDPVNMSBSYFKF-UHFFFAOYSA-N 2 1 356.474 2.568 20 30 FFEDMP C[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000330297920 510960539 /nfs/dbraw/zinc/96/05/39/510960539.db2.gz LFRLEOJXSKRPSH-GOSISDBHSA-N 2 1 359.518 2.554 20 30 FFEDMP Cc1cc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000329641329 512080686 /nfs/dbraw/zinc/08/06/86/512080686.db2.gz XSDUOFSDICOANI-UHFFFAOYSA-N 2 1 371.529 2.964 20 30 FFEDMP CCN(CCC#N)C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370652674 513034422 /nfs/dbraw/zinc/03/44/22/513034422.db2.gz VPAPWLMTXQLILM-UHFFFAOYSA-N 2 1 368.525 2.737 20 30 FFEDMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000440816285 513413378 /nfs/dbraw/zinc/41/33/78/513413378.db2.gz MKYXAIJSPGYXAL-UHFFFAOYSA-N 2 1 351.450 2.689 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000517998045 516516690 /nfs/dbraw/zinc/51/66/90/516516690.db2.gz VTGBBDVKBIWLHK-HXUWFJFHSA-N 2 1 356.514 2.601 20 30 FFEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F)CC[NH+](C)C ZINC000519574007 517053843 /nfs/dbraw/zinc/05/38/43/517053843.db2.gz ZXQFFKFCPZBDIB-UHFFFAOYSA-N 2 1 356.436 2.892 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000559613343 517341714 /nfs/dbraw/zinc/34/17/14/517341714.db2.gz KPCVYDUGWJGKPG-HUUCEWRRSA-N 2 1 361.452 2.662 20 30 FFEDMP CC(C)[NH+](C)C[C@H](C)Nc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1C#N ZINC000570612534 518693612 /nfs/dbraw/zinc/69/36/12/518693612.db2.gz DNYLKOFFBNSMPY-IRXDYDNUSA-N 2 1 360.550 2.656 20 30 FFEDMP CC(C)[NH+](C)C[C@H](C)Nc1ccc(C#N)c(N[C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000570612534 518693618 /nfs/dbraw/zinc/69/36/18/518693618.db2.gz DNYLKOFFBNSMPY-IRXDYDNUSA-N 2 1 360.550 2.656 20 30 FFEDMP CC(C)[NH+](C)C[C@H](C)Nc1ccc(C#N)c(N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000570612534 518693623 /nfs/dbraw/zinc/69/36/23/518693623.db2.gz DNYLKOFFBNSMPY-IRXDYDNUSA-N 2 1 360.550 2.656 20 30 FFEDMP C=CCOc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000565110130 518791930 /nfs/dbraw/zinc/79/19/30/518791930.db2.gz QDWGRCFROPEQQG-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP C=CCOc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000565110130 518791940 /nfs/dbraw/zinc/79/19/40/518791940.db2.gz QDWGRCFROPEQQG-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582779758 518917218 /nfs/dbraw/zinc/91/72/18/518917218.db2.gz XXUPWPQFLTZPMS-KPFFTGBYSA-N 2 1 354.498 2.954 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440641 519967645 /nfs/dbraw/zinc/96/76/45/519967645.db2.gz HGTPBUCSWOGKMT-PXNSSMCTSA-N 2 1 356.514 2.946 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000592507299 520426622 /nfs/dbraw/zinc/42/66/22/520426622.db2.gz RYRBFKZSEQCQJX-XLIONFOSSA-N 2 1 356.514 2.772 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000600747457 520444151 /nfs/dbraw/zinc/44/41/51/520444151.db2.gz XNMKGQNTVMHGIU-PMACEKPBSA-N 2 1 353.510 2.933 20 30 FFEDMP N#Cc1cccc(CN2CCC(NC(=O)Nc3ccn4ccnc4c3)CC2)c1 ZINC000593197662 520820599 /nfs/dbraw/zinc/82/05/99/520820599.db2.gz JNJUTNMCOWHLMA-UHFFFAOYSA-N 2 1 374.448 2.992 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)C(C)C ZINC000606641466 521120960 /nfs/dbraw/zinc/12/09/60/521120960.db2.gz AWJARAYPPOIEDD-RTBURBONSA-N 2 1 350.551 2.667 20 30 FFEDMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593899571 521281093 /nfs/dbraw/zinc/28/10/93/521281093.db2.gz CQLCWTHRNWOPRF-NRFANRHFSA-N 2 1 368.525 2.903 20 30 FFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000602514691 521389007 /nfs/dbraw/zinc/38/90/07/521389007.db2.gz LLUJKFOZMYOBSV-IBGZPJMESA-N 2 1 370.541 2.623 20 30 FFEDMP N#CC1CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000602586441 521425508 /nfs/dbraw/zinc/42/55/08/521425508.db2.gz RDWRGBULYNIOOL-UHFFFAOYSA-N 2 1 370.497 2.519 20 30 FFEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[NH+](CC(C)C)CC1 ZINC000126637183 728704341 /nfs/dbraw/zinc/70/43/41/728704341.db2.gz AOXNKAOQPREZCL-UHFFFAOYSA-N 2 1 363.453 2.511 20 30 FFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC[C@H](C)C3)CC2)cs1 ZINC000262518388 729667696 /nfs/dbraw/zinc/66/76/96/729667696.db2.gz HKVOPITZSHQJDK-HNNXBMFYSA-N 2 1 363.575 2.964 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC(F)F ZINC000304660550 729736708 /nfs/dbraw/zinc/73/67/08/729736708.db2.gz ADYUDBIDBGOSKJ-ZDUSSCGKSA-N 2 1 360.836 2.830 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000304795328 729737386 /nfs/dbraw/zinc/73/73/86/729737386.db2.gz MGOFBJFSBYWFRH-LZLYRXPVSA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304795328 729737390 /nfs/dbraw/zinc/73/73/90/729737390.db2.gz MGOFBJFSBYWFRH-LZLYRXPVSA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304795328 729737393 /nfs/dbraw/zinc/73/73/93/729737393.db2.gz MGOFBJFSBYWFRH-LZLYRXPVSA-N 3 1 363.575 2.520 20 30 FFEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@H]2CS3)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000878705813 732581231 /nfs/dbraw/zinc/58/12/31/732581231.db2.gz JLUIMXZMRUXOQL-VJANTYMQSA-N 2 1 357.548 2.938 20 30 FFEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@H]2CS3)cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000878705813 732581235 /nfs/dbraw/zinc/58/12/35/732581235.db2.gz JLUIMXZMRUXOQL-VJANTYMQSA-N 2 1 357.548 2.938 20 30 FFEDMP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046942069 743339767 /nfs/dbraw/zinc/33/97/67/743339767.db2.gz STKRGVRLPAGXAX-IXDOHACOSA-N 2 1 357.489 2.756 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046942069 743339776 /nfs/dbraw/zinc/33/97/76/743339776.db2.gz STKRGVRLPAGXAX-IXDOHACOSA-N 2 1 357.489 2.756 20 30 FFEDMP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046942069 743339785 /nfs/dbraw/zinc/33/97/85/743339785.db2.gz STKRGVRLPAGXAX-IXDOHACOSA-N 2 1 357.489 2.756 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042036 971400344 /nfs/dbraw/zinc/40/03/44/971400344.db2.gz LWBRIIKWVVHNLE-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042036 971400349 /nfs/dbraw/zinc/40/03/49/971400349.db2.gz LWBRIIKWVVHNLE-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)c1 ZINC001026508365 971614996 /nfs/dbraw/zinc/61/49/96/971614996.db2.gz RPVMWSJBGXIVAL-CSODTCANSA-N 2 1 363.465 2.602 20 30 FFEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001275881246 1013132572 /nfs/dbraw/zinc/13/25/72/1013132572.db2.gz YKUGZDWLPOEPOG-OAQYLSRUSA-N 2 1 360.546 2.727 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000960642319 1013437120 /nfs/dbraw/zinc/43/71/20/1013437120.db2.gz IDBYLCJMBOWCNO-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000960642319 1013437126 /nfs/dbraw/zinc/43/71/26/1013437126.db2.gz IDBYLCJMBOWCNO-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087473000 965479187 /nfs/dbraw/zinc/47/91/87/965479187.db2.gz JFDUZWYEDWWEMZ-PCCBWWKXSA-N 2 1 371.525 2.640 20 30 FFEDMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087201379 966203062 /nfs/dbraw/zinc/20/30/62/966203062.db2.gz NLNZKLHPIGHCPC-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001023372548 967747347 /nfs/dbraw/zinc/74/73/47/967747347.db2.gz UXXDLKOJRPWAGN-DZFGPLHGSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001023372548 967747352 /nfs/dbraw/zinc/74/73/52/967747352.db2.gz UXXDLKOJRPWAGN-DZFGPLHGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604931 967984324 /nfs/dbraw/zinc/98/43/24/967984324.db2.gz UMHTUVLDSPHRPS-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604931 967984331 /nfs/dbraw/zinc/98/43/31/967984331.db2.gz UMHTUVLDSPHRPS-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001023604931 967984340 /nfs/dbraw/zinc/98/43/40/967984340.db2.gz UMHTUVLDSPHRPS-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001087578013 968230986 /nfs/dbraw/zinc/23/09/86/968230986.db2.gz WCYZKMKGSPHGFO-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001087578013 968230989 /nfs/dbraw/zinc/23/09/89/968230989.db2.gz WCYZKMKGSPHGFO-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001087578013 968230996 /nfs/dbraw/zinc/23/09/96/968230996.db2.gz WCYZKMKGSPHGFO-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(C#N)ccc1F ZINC001087578013 968231002 /nfs/dbraw/zinc/23/10/02/968231002.db2.gz WCYZKMKGSPHGFO-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024666741 969242137 /nfs/dbraw/zinc/24/21/37/969242137.db2.gz ULYPBBQHTBUIHY-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666741 969242141 /nfs/dbraw/zinc/24/21/41/969242141.db2.gz ULYPBBQHTBUIHY-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024666741 969242150 /nfs/dbraw/zinc/24/21/50/969242150.db2.gz ULYPBBQHTBUIHY-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001104676760 970086090 /nfs/dbraw/zinc/08/60/90/970086090.db2.gz WYMWHZMJOLYHLE-KCZVDYSFSA-N 2 1 367.537 2.597 20 30 FFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001104682294 970096167 /nfs/dbraw/zinc/09/61/67/970096167.db2.gz KIHHFWKZXGOHQS-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCC4CCC4)CC[C@@H]3C2)CC1 ZINC001088212196 973669311 /nfs/dbraw/zinc/66/93/11/973669311.db2.gz URMCXXKQUUTHOR-YADHBBJMSA-N 2 1 371.569 2.692 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCC4CCCC4)CC[C@@H]3C2)CC1 ZINC001088212236 973669526 /nfs/dbraw/zinc/66/95/26/973669526.db2.gz XCXMBOYCUOYTPY-YADHBBJMSA-N 2 1 371.569 2.692 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087427096 975445324 /nfs/dbraw/zinc/44/53/24/975445324.db2.gz LDSMQYIOYLSLOF-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087427096 975445328 /nfs/dbraw/zinc/44/53/28/975445328.db2.gz LDSMQYIOYLSLOF-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087427096 975445333 /nfs/dbraw/zinc/44/53/33/975445333.db2.gz LDSMQYIOYLSLOF-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001087427096 975445338 /nfs/dbraw/zinc/44/53/38/975445338.db2.gz LDSMQYIOYLSLOF-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530251 975503612 /nfs/dbraw/zinc/50/36/12/975503612.db2.gz LLCOMDRUKDUJRI-LPHOPBHVSA-N 2 1 353.938 2.689 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087435850 976985870 /nfs/dbraw/zinc/98/58/70/976985870.db2.gz KMVFIXHMHJDNFU-MJUUVYJYSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001087435850 976985879 /nfs/dbraw/zinc/98/58/79/976985879.db2.gz KMVFIXHMHJDNFU-MJUUVYJYSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001087435850 976985889 /nfs/dbraw/zinc/98/58/89/976985889.db2.gz KMVFIXHMHJDNFU-MJUUVYJYSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087441536 977487194 /nfs/dbraw/zinc/48/71/94/977487194.db2.gz MUFIYPPRRVTGMM-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087441536 977487198 /nfs/dbraw/zinc/48/71/98/977487198.db2.gz MUFIYPPRRVTGMM-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087441536 977487205 /nfs/dbraw/zinc/48/72/05/977487205.db2.gz MUFIYPPRRVTGMM-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000650852880 1014814696 /nfs/dbraw/zinc/81/46/96/1014814696.db2.gz VLGNXKGARNVPKX-OAQYLSRUSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000650852880 1014814710 /nfs/dbraw/zinc/81/47/10/1014814710.db2.gz VLGNXKGARNVPKX-OAQYLSRUSA-N 2 1 370.541 2.595 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413814 984522786 /nfs/dbraw/zinc/52/27/86/984522786.db2.gz UIWIGVQNAIWDPM-DBXWQHBBSA-N 2 1 356.514 2.781 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413814 984522791 /nfs/dbraw/zinc/52/27/91/984522791.db2.gz UIWIGVQNAIWDPM-DBXWQHBBSA-N 2 1 356.514 2.781 20 30 FFEDMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107583347 984749941 /nfs/dbraw/zinc/74/99/41/984749941.db2.gz YCGIJXRKDPJMJP-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088891783 985346044 /nfs/dbraw/zinc/34/60/44/985346044.db2.gz OKGXRSYLDMVXEG-APWZRJJASA-N 2 1 365.481 2.657 20 30 FFEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088891783 985346053 /nfs/dbraw/zinc/34/60/53/985346053.db2.gz OKGXRSYLDMVXEG-APWZRJJASA-N 2 1 365.481 2.657 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212406549 986196314 /nfs/dbraw/zinc/19/63/14/986196314.db2.gz XSKUABWFHHAKFU-FGTMMUONSA-N 2 1 362.518 2.546 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212406549 986196320 /nfs/dbraw/zinc/19/63/20/986196320.db2.gz XSKUABWFHHAKFU-FGTMMUONSA-N 2 1 362.518 2.546 20 30 FFEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330321 987444854 /nfs/dbraw/zinc/44/48/54/987444854.db2.gz PTZRXQMLIPXLDV-UYAOXDASSA-N 2 1 368.525 2.561 20 30 FFEDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)[C@@H]1C(C)C ZINC000922392587 988552359 /nfs/dbraw/zinc/55/23/59/988552359.db2.gz DYJCLKSSUIFDMU-RMVXJAJNSA-N 2 1 357.498 2.526 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)[C@H]1C(C)C ZINC000922392741 988553492 /nfs/dbraw/zinc/55/34/92/988553492.db2.gz GZOCAPDOKZFDII-DOJYXZBASA-N 2 1 371.525 2.937 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000923327643 991063428 /nfs/dbraw/zinc/06/34/28/991063428.db2.gz FLNOKDWGSIWPBX-XUVXKRRUSA-N 2 1 374.525 2.627 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000923382526 991105646 /nfs/dbraw/zinc/10/56/46/991105646.db2.gz CHNJTXZDYYAAJE-HKUYNNGSSA-N 2 1 374.525 2.627 20 30 FFEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001089701738 991426722 /nfs/dbraw/zinc/42/67/22/991426722.db2.gz QEVMTDLEJYMJRF-NJYVYQBISA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001089701738 991426729 /nfs/dbraw/zinc/42/67/29/991426729.db2.gz QEVMTDLEJYMJRF-NJYVYQBISA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079202545 991878471 /nfs/dbraw/zinc/87/84/71/991878471.db2.gz ZLTGWAXRIHPZRS-PWRODBHTSA-N 2 1 371.500 2.606 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849722 992531142 /nfs/dbraw/zinc/53/11/42/992531142.db2.gz WLTXWRSYQQFNIN-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849722 992531155 /nfs/dbraw/zinc/53/11/55/992531155.db2.gz WLTXWRSYQQFNIN-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849722 992531164 /nfs/dbraw/zinc/53/11/64/992531164.db2.gz WLTXWRSYQQFNIN-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079849722 992531175 /nfs/dbraw/zinc/53/11/75/992531175.db2.gz WLTXWRSYQQFNIN-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849772 992531239 /nfs/dbraw/zinc/53/12/39/992531239.db2.gz YIFIAALQNJACFZ-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849772 992531247 /nfs/dbraw/zinc/53/12/47/992531247.db2.gz YIFIAALQNJACFZ-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849772 992531254 /nfs/dbraw/zinc/53/12/54/992531254.db2.gz YIFIAALQNJACFZ-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849772 992531261 /nfs/dbraw/zinc/53/12/61/992531261.db2.gz YIFIAALQNJACFZ-BAGYTPMASA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080017164 992653045 /nfs/dbraw/zinc/65/30/45/992653045.db2.gz AHUKVUVHXRREMQ-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080017164 992653052 /nfs/dbraw/zinc/65/30/52/992653052.db2.gz AHUKVUVHXRREMQ-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080017164 992653059 /nfs/dbraw/zinc/65/30/59/992653059.db2.gz AHUKVUVHXRREMQ-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]2C)CC1 ZINC001080997858 993548492 /nfs/dbraw/zinc/54/84/92/993548492.db2.gz MTXFPAGFWQQCBL-WOIUINJBSA-N 2 1 367.537 2.838 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001081125605 993652236 /nfs/dbraw/zinc/65/22/36/993652236.db2.gz IVNHTAWQYFYYMT-RBUKOAKNSA-N 2 1 361.917 2.807 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131608603 994455347 /nfs/dbraw/zinc/45/53/47/994455347.db2.gz HQBYSSHRWBEKAE-QFUCXCTJSA-N 2 1 365.562 2.667 20 30 FFEDMP N#Cc1csc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000810152727 994718836 /nfs/dbraw/zinc/71/88/36/994718836.db2.gz ZOMYVCLLNASLAM-UHFFFAOYSA-N 2 1 367.522 2.837 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082783289 995491308 /nfs/dbraw/zinc/49/13/08/995491308.db2.gz OMTZOKYPPBSLFX-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090875387 997533746 /nfs/dbraw/zinc/53/37/46/997533746.db2.gz RMWDIKWAWCXWNW-HBMCJLEFSA-N 2 1 371.525 2.640 20 30 FFEDMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845006663 998282795 /nfs/dbraw/zinc/28/27/95/998282795.db2.gz KLEAARVIXJQMMG-UHFFFAOYSA-N 2 1 365.481 2.624 20 30 FFEDMP C#Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001144572045 998660885 /nfs/dbraw/zinc/66/08/85/998660885.db2.gz OAOCNLYHTPLHNK-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001144572045 998660889 /nfs/dbraw/zinc/66/08/89/998660889.db2.gz OAOCNLYHTPLHNK-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001144572045 998660893 /nfs/dbraw/zinc/66/08/93/998660893.db2.gz OAOCNLYHTPLHNK-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001144572045 998660897 /nfs/dbraw/zinc/66/08/97/998660897.db2.gz OAOCNLYHTPLHNK-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001144572045 998660899 /nfs/dbraw/zinc/66/08/99/998660899.db2.gz OAOCNLYHTPLHNK-FSSWDIPSSA-N 2 1 363.509 2.633 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049607 998782802 /nfs/dbraw/zinc/78/28/02/998782802.db2.gz NSTVWYZXXMHTOO-KURKYZTESA-N 2 1 353.938 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049607 998782803 /nfs/dbraw/zinc/78/28/03/998782803.db2.gz NSTVWYZXXMHTOO-KURKYZTESA-N 2 1 353.938 2.926 20 30 FFEDMP C#CCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000733321478 998962651 /nfs/dbraw/zinc/96/26/51/998962651.db2.gz DJGNSKDSICTTJJ-FQEVSTJZSA-N 2 1 369.534 2.838 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC001085229925 999216055 /nfs/dbraw/zinc/21/60/55/999216055.db2.gz QYPRMELPUGDKCJ-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC001085229925 999216056 /nfs/dbraw/zinc/21/60/56/999216056.db2.gz QYPRMELPUGDKCJ-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085432501 999517224 /nfs/dbraw/zinc/51/72/24/999517224.db2.gz AYEOMRABODGZEN-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001109418158 1000408860 /nfs/dbraw/zinc/40/88/60/1000408860.db2.gz ZOAUXWDVAWUWFB-LRSLUSHPSA-N 2 1 365.521 2.634 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001109418158 1000408862 /nfs/dbraw/zinc/40/88/62/1000408862.db2.gz ZOAUXWDVAWUWFB-LRSLUSHPSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109418158 1000408866 /nfs/dbraw/zinc/40/88/66/1000408866.db2.gz ZOAUXWDVAWUWFB-LRSLUSHPSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109418158 1000408867 /nfs/dbraw/zinc/40/88/67/1000408867.db2.gz ZOAUXWDVAWUWFB-LRSLUSHPSA-N 2 1 365.521 2.634 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109899034 1001134246 /nfs/dbraw/zinc/13/42/46/1001134246.db2.gz NNMSYIICKMANDD-HOJAQTOUSA-N 2 1 365.562 2.789 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001086588424 1002419512 /nfs/dbraw/zinc/41/95/12/1002419512.db2.gz UVLCDFHXBOEUAQ-LEWJYISDSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@]3(C)C2)CC1 ZINC001092299799 1002628579 /nfs/dbraw/zinc/62/85/79/1002628579.db2.gz IZFFCLSXKKAAHC-GGAORHGYSA-N 2 1 371.569 2.692 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000852867397 1006213961 /nfs/dbraw/zinc/21/39/61/1006213961.db2.gz USTHYBNCHNGJQH-HXUWFJFHSA-N 2 1 373.928 2.814 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000852867397 1006213969 /nfs/dbraw/zinc/21/39/69/1006213969.db2.gz USTHYBNCHNGJQH-HXUWFJFHSA-N 2 1 373.928 2.814 20 30 FFEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819199939 1008064962 /nfs/dbraw/zinc/06/49/62/1008064962.db2.gz HRVVWPLXIATUKK-FQEVSTJZSA-N 2 1 351.498 2.752 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000859213987 1008488174 /nfs/dbraw/zinc/48/81/74/1008488174.db2.gz DOEXRQKUIMQKSM-OAQYLSRUSA-N 2 1 362.477 2.857 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000859213987 1008488176 /nfs/dbraw/zinc/48/81/76/1008488176.db2.gz DOEXRQKUIMQKSM-OAQYLSRUSA-N 2 1 362.477 2.857 20 30 FFEDMP C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000886361806 1008651146 /nfs/dbraw/zinc/65/11/46/1008651146.db2.gz WFAAWTVDDVPYIO-OALUTQOASA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CCCC2)CC3)CC1 ZINC001094582805 1011266270 /nfs/dbraw/zinc/26/62/70/1011266270.db2.gz XXRYGRRWTKJGHA-FYYLOGMGSA-N 2 1 371.569 2.883 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)CC(C)C)c1 ZINC000303881346 1012499163 /nfs/dbraw/zinc/49/91/63/1012499163.db2.gz KVADUJQCBBCSNT-SFHVURJKSA-N 2 1 359.518 2.560 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001052395746 1017396613 /nfs/dbraw/zinc/39/66/13/1017396613.db2.gz ZBCOXVGEZLPXPZ-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001052395746 1017396624 /nfs/dbraw/zinc/39/66/24/1017396624.db2.gz ZBCOXVGEZLPXPZ-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001052395746 1017396629 /nfs/dbraw/zinc/39/66/29/1017396629.db2.gz ZBCOXVGEZLPXPZ-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCN1C(=O)C2(CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1c1ccccc1 ZINC001276757108 1032787894 /nfs/dbraw/zinc/78/78/94/1032787894.db2.gz PMXAWKATVFJZAJ-FQEVSTJZSA-N 2 1 353.510 2.932 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2CC3(C[C@H]2C(=O)OCC)CC[NH2+]CC3)c1 ZINC001222226889 1032837012 /nfs/dbraw/zinc/83/70/12/1032837012.db2.gz YGCFCEKLUAJEOF-IBGZPJMESA-N 2 1 358.482 2.759 20 30 FFEDMP C=CCOc1cccc(C[N@@H+]2CC3(C[C@H]2C(=O)OCC)CC[NH2+]CC3)c1 ZINC001222226889 1032837019 /nfs/dbraw/zinc/83/70/19/1032837019.db2.gz YGCFCEKLUAJEOF-IBGZPJMESA-N 2 1 358.482 2.759 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001111017911 1020604330 /nfs/dbraw/zinc/60/43/30/1020604330.db2.gz GMIPKVPCJUDZFD-CGXNFDGLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001111017911 1020604336 /nfs/dbraw/zinc/60/43/36/1020604336.db2.gz GMIPKVPCJUDZFD-CGXNFDGLSA-N 2 1 368.525 2.900 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001017130186 1022164686 /nfs/dbraw/zinc/16/46/86/1022164686.db2.gz LBKYOGMTKIAZQV-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001017130186 1022164691 /nfs/dbraw/zinc/16/46/91/1022164691.db2.gz LBKYOGMTKIAZQV-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001017130186 1022164694 /nfs/dbraw/zinc/16/46/94/1022164694.db2.gz LBKYOGMTKIAZQV-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331212 1023195615 /nfs/dbraw/zinc/19/56/15/1023195615.db2.gz JWPXDHPQUNHSOU-ANULTFPQSA-N 2 1 368.525 2.815 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218337681 1033113052 /nfs/dbraw/zinc/11/30/52/1033113052.db2.gz YZOKXIYNKAQELO-QFIPXVFZSA-N 2 1 362.477 2.621 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000948386246 1023247912 /nfs/dbraw/zinc/24/79/12/1023247912.db2.gz USVTZSBEPQGUFW-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC000948386246 1023247924 /nfs/dbraw/zinc/24/79/24/1023247924.db2.gz USVTZSBEPQGUFW-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC000948386246 1023247928 /nfs/dbraw/zinc/24/79/28/1023247928.db2.gz USVTZSBEPQGUFW-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298060 1023302487 /nfs/dbraw/zinc/30/24/87/1023302487.db2.gz FGTOGXHLQHFFBN-FPOVZHCZSA-N 2 1 367.537 2.749 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001491263662 1023409376 /nfs/dbraw/zinc/40/93/76/1023409376.db2.gz KAWUHCOEPXMSGS-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCN1CC[C@@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001276302138 1024296278 /nfs/dbraw/zinc/29/62/78/1024296278.db2.gz KZXGASDCQCZYIY-RBBKRZOGSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCN1CC[C@@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001276302138 1024296295 /nfs/dbraw/zinc/29/62/95/1024296295.db2.gz KZXGASDCQCZYIY-RBBKRZOGSA-N 2 1 353.510 2.619 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC001276303419 1024934241 /nfs/dbraw/zinc/93/42/41/1024934241.db2.gz WLHOHDTZVREAFA-UNMCSNQZSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001276303419 1024934253 /nfs/dbraw/zinc/93/42/53/1024934253.db2.gz WLHOHDTZVREAFA-UNMCSNQZSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001276303419 1024934264 /nfs/dbraw/zinc/93/42/64/1024934264.db2.gz WLHOHDTZVREAFA-UNMCSNQZSA-N 2 1 353.510 2.761 20 30 FFEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001102356685 1025796642 /nfs/dbraw/zinc/79/66/42/1025796642.db2.gz VEKOENCZBFAKFW-FCEUIQTBSA-N 2 1 369.553 2.843 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001102596648 1026391056 /nfs/dbraw/zinc/39/10/56/1026391056.db2.gz QZUKCEMTTAUBEG-SFHLNBCPSA-N 2 1 361.574 2.698 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103218932 1027068688 /nfs/dbraw/zinc/06/86/88/1027068688.db2.gz FMUBGPNDLBPTBA-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001103269767 1027131295 /nfs/dbraw/zinc/13/12/95/1027131295.db2.gz NWYLOIFULQOYEZ-UYAOXDASSA-N 2 1 355.526 2.502 20 30 FFEDMP C[NH+]1CCN(c2c(F)cccc2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)CC1 ZINC001160122218 1027600820 /nfs/dbraw/zinc/60/08/20/1027600820.db2.gz DQSYUTRCKSAMKO-UHFFFAOYSA-N 2 1 365.456 2.880 20 30 FFEDMP N#Cc1c2c(c[nH+]c1N[C@H]1CC[C@@H]3C[NH2+]C[C@@H]31)CCN2Cc1ccccc1 ZINC001163261677 1028859246 /nfs/dbraw/zinc/85/92/46/1028859246.db2.gz JDFRSZBWGYDYKG-UXPWSPDFSA-N 2 1 359.477 2.926 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167172 1030132116 /nfs/dbraw/zinc/13/21/16/1030132116.db2.gz HBLNFYZZZJXKHR-HUUCEWRRSA-N 2 1 363.468 2.909 20 30 FFEDMP c1ccc([C@H]2CC(=NNCCC[NH+]3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000841636116 1030380743 /nfs/dbraw/zinc/38/07/43/1030380743.db2.gz GPAJDEFWHALWLL-OAQYLSRUSA-N 2 1 356.514 2.654 20 30 FFEDMP c1ccc([C@H]2CC(=NNCCC[NH+]3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000841636116 1030380759 /nfs/dbraw/zinc/38/07/59/1030380759.db2.gz GPAJDEFWHALWLL-OAQYLSRUSA-N 2 1 356.514 2.654 20 30 FFEDMP C=CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204300834 1031214701 /nfs/dbraw/zinc/21/47/01/1031214701.db2.gz VAAFUWFAMYHCJU-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204300834 1031214707 /nfs/dbraw/zinc/21/47/07/1031214707.db2.gz VAAFUWFAMYHCJU-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204300834 1031214718 /nfs/dbraw/zinc/21/47/18/1031214718.db2.gz VAAFUWFAMYHCJU-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204300834 1031214726 /nfs/dbraw/zinc/21/47/26/1031214726.db2.gz VAAFUWFAMYHCJU-NHCUHLMSSA-N 2 1 366.509 2.939 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001345 1031484073 /nfs/dbraw/zinc/48/40/73/1031484073.db2.gz QHVJJUGYXKRBJY-JFIYKMOQSA-N 2 1 371.472 2.588 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)C2)C1 ZINC001205001345 1031484077 /nfs/dbraw/zinc/48/40/77/1031484077.db2.gz QHVJJUGYXKRBJY-JFIYKMOQSA-N 2 1 371.472 2.588 20 30 FFEDMP C=CCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001149739788 1031584812 /nfs/dbraw/zinc/58/48/12/1031584812.db2.gz OLBWCMFMOUZRMV-SLFFLAALSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149739788 1031584820 /nfs/dbraw/zinc/58/48/20/1031584820.db2.gz OLBWCMFMOUZRMV-SLFFLAALSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149739788 1031584824 /nfs/dbraw/zinc/58/48/24/1031584824.db2.gz OLBWCMFMOUZRMV-SLFFLAALSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001205652889 1031906200 /nfs/dbraw/zinc/90/62/00/1031906200.db2.gz CZVIXQCLOYOAKD-IMFGXOCKSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1ccccc1F ZINC001205678513 1031928845 /nfs/dbraw/zinc/92/88/45/1031928845.db2.gz KSBMFTCKIAOBSS-DWLFOUALSA-N 2 1 371.500 2.772 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC001140542454 1035596618 /nfs/dbraw/zinc/59/66/18/1035596618.db2.gz CSPOLQXLAUDOGI-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235350764 1037496641 /nfs/dbraw/zinc/49/66/41/1037496641.db2.gz YJQACQOZDBAOLM-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001278925895 1038465738 /nfs/dbraw/zinc/46/57/38/1038465738.db2.gz RRXGMTNUOPLSRY-UHFFFAOYSA-N 2 1 363.527 2.918 20 30 FFEDMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001278925895 1038465742 /nfs/dbraw/zinc/46/57/42/1038465742.db2.gz RRXGMTNUOPLSRY-UHFFFAOYSA-N 2 1 363.527 2.918 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478217 1038914983 /nfs/dbraw/zinc/91/49/83/1038914983.db2.gz RELMRYBQEPUNQL-WOJBJXKFSA-N 2 1 365.562 2.672 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478217 1038914994 /nfs/dbraw/zinc/91/49/94/1038914994.db2.gz RELMRYBQEPUNQL-WOJBJXKFSA-N 2 1 365.562 2.672 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)C(C)C ZINC001211221886 1040004968 /nfs/dbraw/zinc/00/49/68/1040004968.db2.gz IVVRNHPLNXRVPM-SFHVURJKSA-N 2 1 350.551 2.811 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213129355 1040262642 /nfs/dbraw/zinc/26/26/42/1040262642.db2.gz PUNVINVNJRMFHL-RTBURBONSA-N 2 1 358.486 2.734 20 30 FFEDMP N#Cc1cc(F)ccc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278749045 1040453630 /nfs/dbraw/zinc/45/36/30/1040453630.db2.gz BJNRUMHXNDGMTA-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP N#Cc1cc(F)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278749045 1040453633 /nfs/dbraw/zinc/45/36/33/1040453633.db2.gz BJNRUMHXNDGMTA-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@H](OC)C1 ZINC001213335531 1040459034 /nfs/dbraw/zinc/45/90/34/1040459034.db2.gz FXCBIVKCMKKMAW-QZTJIDSGSA-N 2 1 365.518 2.741 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213335531 1040459043 /nfs/dbraw/zinc/45/90/43/1040459043.db2.gz FXCBIVKCMKKMAW-QZTJIDSGSA-N 2 1 365.518 2.741 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526466 1040642522 /nfs/dbraw/zinc/64/25/22/1040642522.db2.gz MMPGBMUOVLYCBI-VAMGGRTRSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526466 1040642526 /nfs/dbraw/zinc/64/25/26/1040642526.db2.gz MMPGBMUOVLYCBI-VAMGGRTRSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526466 1040642532 /nfs/dbraw/zinc/64/25/32/1040642532.db2.gz MMPGBMUOVLYCBI-VAMGGRTRSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCN1CC[C@@]2(C[NH+]([C@@H]3CCC[N@H+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001254518423 1040766682 /nfs/dbraw/zinc/76/66/82/1040766682.db2.gz MSCXFBIBXJQFHI-XPNTWCBSSA-N 2 1 367.537 2.975 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001254518423 1040766695 /nfs/dbraw/zinc/76/66/95/1040766695.db2.gz MSCXFBIBXJQFHI-XPNTWCBSSA-N 2 1 367.537 2.975 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCC[NH+](C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001254518423 1040766707 /nfs/dbraw/zinc/76/67/07/1040766707.db2.gz MSCXFBIBXJQFHI-XPNTWCBSSA-N 2 1 367.537 2.975 20 30 FFEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001254665903 1040867165 /nfs/dbraw/zinc/86/71/65/1040867165.db2.gz RJLKMYHGAWJGGC-AZUAARDMSA-N 2 1 354.498 2.688 20 30 FFEDMP Cn1cccc1C[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278518681 1040876670 /nfs/dbraw/zinc/87/66/70/1040876670.db2.gz WMELQJLMMQRXSU-UHFFFAOYSA-N 2 1 351.498 2.723 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255121231 1041154667 /nfs/dbraw/zinc/15/46/67/1041154667.db2.gz WRAJGECJNCCPFI-QHCPKHFHSA-N 2 1 368.569 2.553 20 30 FFEDMP CSc1nc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278842898 1041163727 /nfs/dbraw/zinc/16/37/27/1041163727.db2.gz GDYOSDUUQNBIRW-HXUWFJFHSA-N 2 1 373.570 2.525 20 30 FFEDMP CSc1nc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278842898 1041163734 /nfs/dbraw/zinc/16/37/34/1041163734.db2.gz GDYOSDUUQNBIRW-HXUWFJFHSA-N 2 1 373.570 2.525 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001264627083 1042757645 /nfs/dbraw/zinc/75/76/45/1042757645.db2.gz FUSAFWZWFPBXHK-LEWJYISDSA-N 2 1 368.525 2.903 20 30 FFEDMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)o1 ZINC001279497134 1043187428 /nfs/dbraw/zinc/18/74/28/1043187428.db2.gz WMKXZMUAPODMAL-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP C#CCCC[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC001279749438 1043581741 /nfs/dbraw/zinc/58/17/41/1043581741.db2.gz ALNFOPWZJOCEAU-RTWAWAEBSA-N 2 1 353.510 2.673 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CC(=O)C(C)(C)C)CC3)cc1C#N ZINC001280143098 1044292170 /nfs/dbraw/zinc/29/21/70/1044292170.db2.gz PFBADWMFWUDXMX-UHFFFAOYSA-N 2 1 356.514 2.800 20 30 FFEDMP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC001335060781 1053201865 /nfs/dbraw/zinc/20/18/65/1053201865.db2.gz LABHYTHYVGITJD-GOSISDBHSA-N 2 1 369.513 2.951 20 30 FFEDMP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC001335060781 1053201868 /nfs/dbraw/zinc/20/18/68/1053201868.db2.gz LABHYTHYVGITJD-GOSISDBHSA-N 2 1 369.513 2.951 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC001359264301 1056959252 /nfs/dbraw/zinc/95/92/52/1056959252.db2.gz AUGMVQOCDIIVCV-ICSRJNTNSA-N 2 1 374.577 2.816 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479425792 1062383405 /nfs/dbraw/zinc/38/34/05/1062383405.db2.gz UHMVPFHXJMIBPP-PWRODBHTSA-N 2 1 355.526 2.714 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001479708192 1062860353 /nfs/dbraw/zinc/86/03/53/1062860353.db2.gz CKBVHNBUGCOVOB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001479708192 1062860375 /nfs/dbraw/zinc/86/03/75/1062860375.db2.gz CKBVHNBUGCOVOB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001479708192 1062860394 /nfs/dbraw/zinc/86/03/94/1062860394.db2.gz CKBVHNBUGCOVOB-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001480823704 1063075023 /nfs/dbraw/zinc/07/50/23/1063075023.db2.gz KZZVDPVSDZDAPT-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC001480823704 1063075041 /nfs/dbraw/zinc/07/50/41/1063075041.db2.gz KZZVDPVSDZDAPT-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)CC[NH+]1C ZINC001480823704 1063075061 /nfs/dbraw/zinc/07/50/61/1063075061.db2.gz KZZVDPVSDZDAPT-JRGCBEDISA-N 2 1 368.525 2.759 20 30 FFEDMP C=CC1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001574881666 1078089626 /nfs/dbraw/zinc/08/96/26/1078089626.db2.gz NHUQBQNLRZIREZ-SFHVURJKSA-N 2 1 360.550 2.835 20 30 FFEDMP C=CCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001574915004 1078092532 /nfs/dbraw/zinc/09/25/32/1078092532.db2.gz ABDLOMNLURMFBE-CALCHBBNSA-N 2 1 360.550 2.760 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCOc2ccccc21)C(C)C ZINC001574927842 1078093842 /nfs/dbraw/zinc/09/38/42/1078093842.db2.gz WQPCTCWWJPGWKO-AZUAARDMSA-N 2 1 357.498 2.525 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CCOc2ccccc21)C(C)C ZINC001574927854 1078094026 /nfs/dbraw/zinc/09/40/26/1078094026.db2.gz WQPCTCWWJPGWKO-QUCCMNQESA-N 2 1 357.498 2.525 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001558600372 1076043027 /nfs/dbraw/zinc/04/30/27/1076043027.db2.gz XUZIVWIJLNUVMW-NRFANRHFSA-N 2 1 365.521 2.698 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001558600372 1076043030 /nfs/dbraw/zinc/04/30/30/1076043030.db2.gz XUZIVWIJLNUVMW-NRFANRHFSA-N 2 1 365.521 2.698 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001568551917 1077100416 /nfs/dbraw/zinc/10/04/16/1077100416.db2.gz YDBCHQWKRNKMRP-KDURUIRLSA-N 2 1 373.541 2.876 20 30 FFEDMP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001568551917 1077100421 /nfs/dbraw/zinc/10/04/21/1077100421.db2.gz YDBCHQWKRNKMRP-KDURUIRLSA-N 2 1 373.541 2.876 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001568551917 1077100422 /nfs/dbraw/zinc/10/04/22/1077100422.db2.gz YDBCHQWKRNKMRP-KDURUIRLSA-N 2 1 373.541 2.876 20 30 FFEDMP C=CC[NH+](C)CCN(CC)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001568551917 1077100428 /nfs/dbraw/zinc/10/04/28/1077100428.db2.gz YDBCHQWKRNKMRP-KDURUIRLSA-N 2 1 373.541 2.876 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000369324106 512352293 /nfs/dbraw/zinc/35/22/93/512352293.db2.gz SDVKYADKAWZDQL-RTBURBONSA-N 2 1 362.562 2.933 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106263915 508398737 /nfs/dbraw/zinc/39/87/37/508398737.db2.gz XONUFWPHESRQDZ-SFHVURJKSA-N 2 1 350.551 2.838 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000153008197 508539524 /nfs/dbraw/zinc/53/95/24/508539524.db2.gz BMILYQLJSKQFTM-SIKLNZKXSA-N 2 1 357.542 2.906 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158196596 508670767 /nfs/dbraw/zinc/67/07/67/508670767.db2.gz KCQQIPVPSSGIEP-ZFWWWQNUSA-N 2 1 361.515 2.797 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247963732 509202457 /nfs/dbraw/zinc/20/24/57/509202457.db2.gz GMUZUMHQYKCUHV-FPOVZHCZSA-N 2 1 368.525 2.966 20 30 FFEDMP N#CCSc1ccccc1NC(=O)CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890261 509242665 /nfs/dbraw/zinc/24/26/65/509242665.db2.gz CUWBLENUAWMBQP-AWEZNQCLSA-N 2 1 355.467 2.843 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000264148298 509351889 /nfs/dbraw/zinc/35/18/89/509351889.db2.gz YLPJNXHDZAMVSC-UHFFFAOYSA-N 2 1 356.470 2.953 20 30 FFEDMP C[NH+](C)[C@]1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000267134610 509360528 /nfs/dbraw/zinc/36/05/28/509360528.db2.gz DBRTYIHYRMHDCU-AWEZNQCLSA-N 2 1 362.421 2.749 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183144109 509624338 /nfs/dbraw/zinc/62/43/38/509624338.db2.gz YURGSDXMVNDWQQ-JKSUJKDBSA-N 2 1 353.470 2.840 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000183149398 509628949 /nfs/dbraw/zinc/62/89/49/509628949.db2.gz LSJJKSROVIIDLY-XOBRGWDASA-N 2 1 351.454 2.640 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000170912100 509843915 /nfs/dbraw/zinc/84/39/15/509843915.db2.gz SDMOJSGEZBCPER-LJQANCHMSA-N 2 1 366.509 2.664 20 30 FFEDMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661107 510357593 /nfs/dbraw/zinc/35/75/93/510357593.db2.gz MXUWYHGWWNCAQF-ZBFHGGJFSA-N 2 1 354.420 2.979 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000191499531 510689460 /nfs/dbraw/zinc/68/94/60/510689460.db2.gz ISVTZLQUBMYBJW-QGZVFWFLSA-N 2 1 359.518 2.889 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000191499531 510689466 /nfs/dbraw/zinc/68/94/66/510689466.db2.gz ISVTZLQUBMYBJW-QGZVFWFLSA-N 2 1 359.518 2.889 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000247446441 510861038 /nfs/dbraw/zinc/86/10/38/510861038.db2.gz PVZFAELCWYGGOR-MJGOQNOKSA-N 2 1 359.539 2.592 20 30 FFEDMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000329924963 510878474 /nfs/dbraw/zinc/87/84/74/510878474.db2.gz HXYBUMXFPXGREV-KRWDZBQOSA-N 2 1 351.535 2.833 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330108935 510917600 /nfs/dbraw/zinc/91/76/00/510917600.db2.gz OKJDGGAZBPEQBD-UHFFFAOYSA-N 2 1 356.474 2.544 20 30 FFEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000330250401 510946578 /nfs/dbraw/zinc/94/65/78/510946578.db2.gz HDQNHHTUUUPARQ-SFHVURJKSA-N 2 1 359.518 2.700 20 30 FFEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000330250401 510946585 /nfs/dbraw/zinc/94/65/85/510946585.db2.gz HDQNHHTUUUPARQ-SFHVURJKSA-N 2 1 359.518 2.700 20 30 FFEDMP C#CCCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366014004 511787071 /nfs/dbraw/zinc/78/70/71/511787071.db2.gz WXNHHFJWVOTDKZ-UHFFFAOYSA-N 2 1 362.562 2.628 20 30 FFEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000284984006 511957602 /nfs/dbraw/zinc/95/76/02/511957602.db2.gz GXWPFANOEWATNM-QFBILLFUSA-N 2 1 354.502 2.847 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329723218 512090182 /nfs/dbraw/zinc/09/01/82/512090182.db2.gz NPPFUHFIGNSUQE-SJLPKXTDSA-N 2 1 367.497 2.777 20 30 FFEDMP Cc1ccc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1C#N ZINC000376416847 512809633 /nfs/dbraw/zinc/80/96/33/512809633.db2.gz VHROGMIGENJALG-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433065714 514368478 /nfs/dbraw/zinc/36/84/78/514368478.db2.gz DFSVOOABXRXBBH-HXUWFJFHSA-N 2 1 353.510 2.761 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000526056754 517317489 /nfs/dbraw/zinc/31/74/89/517317489.db2.gz OHDKBEBSECKUIS-ZWKOTPCHSA-N 2 1 360.546 2.914 20 30 FFEDMP Cn1c[nH+]cc1CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000520604796 517452658 /nfs/dbraw/zinc/45/26/58/517452658.db2.gz YJFUITLXYWKQLW-UHFFFAOYSA-N 2 1 351.454 2.575 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cnc12 ZINC000516867599 517881517 /nfs/dbraw/zinc/88/15/17/517881517.db2.gz GTPCTBAROYFNGO-SEJPIABJSA-N 2 1 372.476 2.886 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cnc12 ZINC000516867599 517881525 /nfs/dbraw/zinc/88/15/25/517881525.db2.gz GTPCTBAROYFNGO-SEJPIABJSA-N 2 1 372.476 2.886 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000539145401 517933548 /nfs/dbraw/zinc/93/35/48/517933548.db2.gz KINLTCUROASZLY-ROUUACIJSA-N 2 1 351.535 2.907 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cccc(C#N)c3)CC2)CC1 ZINC000557489655 518033038 /nfs/dbraw/zinc/03/30/38/518033038.db2.gz VSGTUBIGMWHKGQ-UHFFFAOYSA-N 2 1 368.525 2.713 20 30 FFEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108215 518432697 /nfs/dbraw/zinc/43/26/97/518432697.db2.gz QYWVIGUKMDOPBD-IEBWSBKVSA-N 2 1 374.492 2.991 20 30 FFEDMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000568811501 519224214 /nfs/dbraw/zinc/22/42/14/519224214.db2.gz DPQIJXZRMMGXBL-GOSISDBHSA-N 2 1 371.529 2.506 20 30 FFEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000609561193 520358081 /nfs/dbraw/zinc/35/80/81/520358081.db2.gz PXXIXVHPHZLXFY-ZDUSSCGKSA-N 2 1 360.527 2.709 20 30 FFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600716446 520418098 /nfs/dbraw/zinc/41/80/98/520418098.db2.gz LKJUXUWJFNOZJS-FQEVSTJZSA-N 2 1 359.514 2.688 20 30 FFEDMP CN(c1ncc(C#N)c2ccsc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601116631 520643139 /nfs/dbraw/zinc/64/31/39/520643139.db2.gz VPISFAODQVCDRB-INIZCTEOSA-N 2 1 355.511 2.773 20 30 FFEDMP CN(c1ncc(C#N)c2ccsc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601116631 520643144 /nfs/dbraw/zinc/64/31/44/520643144.db2.gz VPISFAODQVCDRB-INIZCTEOSA-N 2 1 355.511 2.773 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000596797400 521291186 /nfs/dbraw/zinc/29/11/86/521291186.db2.gz RUMXVVGARHXQNO-ZDUSSCGKSA-N 2 1 351.882 2.605 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000596797400 521291192 /nfs/dbraw/zinc/29/11/92/521291192.db2.gz RUMXVVGARHXQNO-ZDUSSCGKSA-N 2 1 351.882 2.605 20 30 FFEDMP C[NH+]=C(NCc1nccs1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246114808 729580998 /nfs/dbraw/zinc/58/09/98/729580998.db2.gz CJTKYZPMXAPLPX-XJKSGUPXSA-N 2 1 363.556 2.953 20 30 FFEDMP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Br)cc1 ZINC000263062306 729678056 /nfs/dbraw/zinc/67/80/56/729678056.db2.gz FQOXQERWLGEZHX-JKSUJKDBSA-N 2 1 363.303 2.512 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000876758112 732277596 /nfs/dbraw/zinc/27/75/96/732277596.db2.gz IOCBQPLEAWMDIH-HNNXBMFYSA-N 2 1 370.950 2.504 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000876771557 732279620 /nfs/dbraw/zinc/27/96/20/732279620.db2.gz ZDORJLUEZWLHHC-JKIFEVAISA-N 2 1 351.878 2.704 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000876771557 732279624 /nfs/dbraw/zinc/27/96/24/732279624.db2.gz ZDORJLUEZWLHHC-JKIFEVAISA-N 2 1 351.878 2.704 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000876777434 732280146 /nfs/dbraw/zinc/28/01/46/732280146.db2.gz MTYRNHIQEXBLEI-SUMWQHHRSA-N 2 1 351.878 2.816 20 30 FFEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000887130463 733881854 /nfs/dbraw/zinc/88/18/54/733881854.db2.gz DWAWKSBICSQFOM-AWEZNQCLSA-N 2 1 355.467 2.554 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960269839 740614543 /nfs/dbraw/zinc/61/45/43/740614543.db2.gz YGPUCHQUENFBOX-WJFTUGDTSA-N 2 1 361.917 2.841 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960269839 740614546 /nfs/dbraw/zinc/61/45/46/740614546.db2.gz YGPUCHQUENFBOX-WJFTUGDTSA-N 2 1 361.917 2.841 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000815652657 741950407 /nfs/dbraw/zinc/95/04/07/741950407.db2.gz LXIALAOAVZTATA-AWEZNQCLSA-N 2 1 366.303 2.711 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000815652657 741950410 /nfs/dbraw/zinc/95/04/10/741950410.db2.gz LXIALAOAVZTATA-AWEZNQCLSA-N 2 1 366.303 2.711 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849275362 749083188 /nfs/dbraw/zinc/08/31/88/749083188.db2.gz MNWUWXMDLLLZOB-ZDUSSCGKSA-N 2 1 367.950 2.770 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849275362 749083192 /nfs/dbraw/zinc/08/31/92/749083192.db2.gz MNWUWXMDLLLZOB-ZDUSSCGKSA-N 2 1 367.950 2.770 20 30 FFEDMP C#Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000896874655 971934809 /nfs/dbraw/zinc/93/48/09/971934809.db2.gz SDMNODLQTWTNNL-UHFFFAOYSA-N 2 1 367.537 2.936 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864148 960067755 /nfs/dbraw/zinc/06/77/55/960067755.db2.gz FPNMRSPQQFWZQW-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864148 960067764 /nfs/dbraw/zinc/06/77/64/960067764.db2.gz FPNMRSPQQFWZQW-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134864148 960067775 /nfs/dbraw/zinc/06/77/75/960067775.db2.gz FPNMRSPQQFWZQW-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864148 960067785 /nfs/dbraw/zinc/06/77/85/960067785.db2.gz FPNMRSPQQFWZQW-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078635 972502268 /nfs/dbraw/zinc/50/22/68/972502268.db2.gz QWUQLBIKDMUCRF-SVFBPWRDSA-N 2 1 357.542 2.587 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000960007827 1013301109 /nfs/dbraw/zinc/30/11/09/1013301109.db2.gz JDEAOVYQNRDMKN-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290836 962326310 /nfs/dbraw/zinc/32/63/10/962326310.db2.gz GAOCNTVHQSSFEN-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261939310 964757552 /nfs/dbraw/zinc/75/75/52/964757552.db2.gz DGZPFFQSDVRKAL-KBXCAEBGSA-N 2 1 369.538 2.958 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261996627 965178937 /nfs/dbraw/zinc/17/89/37/965178937.db2.gz SPYOLOXEBUQSDL-JTDSTZFVSA-N 2 1 356.514 2.591 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087569646 968191513 /nfs/dbraw/zinc/19/15/13/968191513.db2.gz GLOUTZFVOLEIQM-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087569646 968191521 /nfs/dbraw/zinc/19/15/21/968191521.db2.gz GLOUTZFVOLEIQM-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087569646 968191524 /nfs/dbraw/zinc/19/15/24/968191524.db2.gz GLOUTZFVOLEIQM-PWRODBHTSA-N 2 1 368.525 2.900 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790947 969082447 /nfs/dbraw/zinc/08/24/47/969082447.db2.gz OLJWHPJBXRDKGY-ZWKOTPCHSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790947 969082458 /nfs/dbraw/zinc/08/24/58/969082458.db2.gz OLJWHPJBXRDKGY-ZWKOTPCHSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142089 973075359 /nfs/dbraw/zinc/07/53/59/973075359.db2.gz RPANTWAYGALXAG-MOPGFXCFSA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142089 973075372 /nfs/dbraw/zinc/07/53/72/973075372.db2.gz RPANTWAYGALXAG-MOPGFXCFSA-N 2 1 361.917 2.895 20 30 FFEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000262557378 974295703 /nfs/dbraw/zinc/29/57/03/974295703.db2.gz VHDQVEQLDRGZRU-OXQOHEQNSA-N 2 1 364.493 2.861 20 30 FFEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000262557378 974295708 /nfs/dbraw/zinc/29/57/08/974295708.db2.gz VHDQVEQLDRGZRU-OXQOHEQNSA-N 2 1 364.493 2.861 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000662087986 975169749 /nfs/dbraw/zinc/16/97/49/975169749.db2.gz RYEOKZHGQDKGOR-FYZZASKESA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662087986 975169751 /nfs/dbraw/zinc/16/97/51/975169751.db2.gz RYEOKZHGQDKGOR-FYZZASKESA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662087986 975169754 /nfs/dbraw/zinc/16/97/54/975169754.db2.gz RYEOKZHGQDKGOR-FYZZASKESA-N 2 1 353.510 2.949 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001112529823 975365860 /nfs/dbraw/zinc/36/58/60/975365860.db2.gz QVLFHEQKNDEUEC-DZFGPLHGSA-N 2 1 365.537 2.993 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001087429311 975785275 /nfs/dbraw/zinc/78/52/75/975785275.db2.gz CQOOAANGZICVJI-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087429311 975785284 /nfs/dbraw/zinc/78/52/84/975785284.db2.gz CQOOAANGZICVJI-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087429311 975785295 /nfs/dbraw/zinc/78/52/95/975785295.db2.gz CQOOAANGZICVJI-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087429311 975785302 /nfs/dbraw/zinc/78/53/02/975785302.db2.gz CQOOAANGZICVJI-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432521 976136092 /nfs/dbraw/zinc/13/60/92/976136092.db2.gz VAUOJBJOQXAOJG-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432521 976136098 /nfs/dbraw/zinc/13/60/98/976136098.db2.gz VAUOJBJOQXAOJG-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758502 976911541 /nfs/dbraw/zinc/91/15/41/976911541.db2.gz AEGWBDYOITYHET-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758502 976911547 /nfs/dbraw/zinc/91/15/47/976911547.db2.gz AEGWBDYOITYHET-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758502 976911550 /nfs/dbraw/zinc/91/15/50/976911550.db2.gz AEGWBDYOITYHET-DEZRYOJYSA-N 2 1 366.509 2.512 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001087435418 976965279 /nfs/dbraw/zinc/96/52/79/976965279.db2.gz OBUZDDHLTPHONP-YPAWHYETSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001087435418 976965294 /nfs/dbraw/zinc/96/52/94/976965294.db2.gz OBUZDDHLTPHONP-YPAWHYETSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001087435418 976965309 /nfs/dbraw/zinc/96/53/09/976965309.db2.gz OBUZDDHLTPHONP-YPAWHYETSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001087435418 976965322 /nfs/dbraw/zinc/96/53/22/976965322.db2.gz OBUZDDHLTPHONP-YPAWHYETSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001087435417 976965354 /nfs/dbraw/zinc/96/53/54/976965354.db2.gz OBUZDDHLTPHONP-BHDDXSALSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001087435417 976965367 /nfs/dbraw/zinc/96/53/67/976965367.db2.gz OBUZDDHLTPHONP-BHDDXSALSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001087435417 976965377 /nfs/dbraw/zinc/96/53/77/976965377.db2.gz OBUZDDHLTPHONP-BHDDXSALSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001087435417 976965389 /nfs/dbraw/zinc/96/53/89/976965389.db2.gz OBUZDDHLTPHONP-BHDDXSALSA-N 2 1 367.537 2.716 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261617914 977368188 /nfs/dbraw/zinc/36/81/88/977368188.db2.gz HCBQALIHZJGUGW-XFZLJDJSSA-N 2 1 360.546 2.514 20 30 FFEDMP C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001087438734 977376085 /nfs/dbraw/zinc/37/60/85/977376085.db2.gz NBISIEZAWHZXKL-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2C#N)C(C)C)CC[N@H+]1C ZINC001271845001 979141866 /nfs/dbraw/zinc/14/18/66/979141866.db2.gz IXBOUAMXBYFFKL-XUVXKRRUSA-N 2 1 356.514 2.519 20 30 FFEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001105425740 979629062 /nfs/dbraw/zinc/62/90/62/979629062.db2.gz ZKKXGTLKJHGDDD-ITTUMRLJSA-N 2 1 355.526 2.709 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000963337645 1014590585 /nfs/dbraw/zinc/59/05/85/1014590585.db2.gz DOPFJKKHXAFZSQ-XZSMBWTPSA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000650852879 1014815557 /nfs/dbraw/zinc/81/55/57/1014815557.db2.gz VLGNXKGARNVPKX-NRFANRHFSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000650852879 1014815560 /nfs/dbraw/zinc/81/55/60/1014815560.db2.gz VLGNXKGARNVPKX-NRFANRHFSA-N 2 1 370.541 2.595 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652363472 1015543314 /nfs/dbraw/zinc/54/33/14/1015543314.db2.gz FNTMRJPWQDDVNX-DSKINZAPSA-N 2 1 359.514 2.834 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652363472 1015543322 /nfs/dbraw/zinc/54/33/22/1015543322.db2.gz FNTMRJPWQDDVNX-DSKINZAPSA-N 2 1 359.514 2.834 20 30 FFEDMP C#CCOc1ccc([C@H](C)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136491 990252353 /nfs/dbraw/zinc/25/23/53/990252353.db2.gz SHLQBHSHOWMKCD-WMZHIEFXSA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136491 990252358 /nfs/dbraw/zinc/25/23/58/990252358.db2.gz SHLQBHSHOWMKCD-WMZHIEFXSA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000766136491 990252365 /nfs/dbraw/zinc/25/23/65/990252365.db2.gz SHLQBHSHOWMKCD-WMZHIEFXSA-N 2 1 364.489 2.986 20 30 FFEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000766136491 990252372 /nfs/dbraw/zinc/25/23/72/990252372.db2.gz SHLQBHSHOWMKCD-WMZHIEFXSA-N 2 1 364.489 2.986 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079149817 991813392 /nfs/dbraw/zinc/81/33/92/991813392.db2.gz NJYOFMYVOCXCRA-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cccc(F)c1 ZINC001079211276 991877801 /nfs/dbraw/zinc/87/78/01/991877801.db2.gz ZMRMPGJVNCYXKE-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187381 991897208 /nfs/dbraw/zinc/89/72/08/991897208.db2.gz CHOMNVAVPLWDSJ-PCCBWWKXSA-N 2 1 371.500 2.606 20 30 FFEDMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000880254690 1015790838 /nfs/dbraw/zinc/79/08/38/1015790838.db2.gz LFUIWICENNBDCT-IBGZPJMESA-N 2 1 363.546 2.788 20 30 FFEDMP Cc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000104162781 994590076 /nfs/dbraw/zinc/59/00/76/994590076.db2.gz WBUNLQOQYKDYJW-UHFFFAOYSA-N 2 1 351.498 2.669 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699773 995297052 /nfs/dbraw/zinc/29/70/52/995297052.db2.gz WYLYHAYAYWIPJK-ZTFGCOKTSA-N 2 1 353.938 2.973 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082783116 995491545 /nfs/dbraw/zinc/49/15/45/995491545.db2.gz BTJWRXQZQGCRAW-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001171193841 998615210 /nfs/dbraw/zinc/61/52/10/998615210.db2.gz DDLMHXZHILMSQD-NMNUPHIUSA-N 2 1 363.505 2.962 20 30 FFEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001171193841 998615213 /nfs/dbraw/zinc/61/52/13/998615213.db2.gz DDLMHXZHILMSQD-NMNUPHIUSA-N 2 1 363.505 2.962 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCC4CCCC4)[C@H]3C2)CC1 ZINC001085100474 998944664 /nfs/dbraw/zinc/94/46/64/998944664.db2.gz FOPLCICLOAWJPC-IRLDBZIGSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085230063 999215713 /nfs/dbraw/zinc/21/57/13/999215713.db2.gz ZOZLXSZYDHZKJD-NJYVYQBISA-N 2 1 357.542 2.992 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085230063 999215721 /nfs/dbraw/zinc/21/57/21/999215721.db2.gz ZOZLXSZYDHZKJD-NJYVYQBISA-N 2 1 357.542 2.992 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085432502 999517130 /nfs/dbraw/zinc/51/71/30/999517130.db2.gz AYEOMRABODGZEN-NJYVYQBISA-N 2 1 368.525 2.950 20 30 FFEDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211480 1000199192 /nfs/dbraw/zinc/19/91/92/1000199192.db2.gz DPJJSRBSPIXIOR-DENIHFKCSA-N 2 1 371.525 2.550 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001112546107 1001448106 /nfs/dbraw/zinc/44/81/06/1001448106.db2.gz TWIGHXVTUDLVPC-HKUYNNGSSA-N 2 1 364.921 2.943 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001112586009 1001537538 /nfs/dbraw/zinc/53/75/38/1001537538.db2.gz CQFKCKZNBGVTNY-ONTIZHBOSA-N 2 1 353.510 2.531 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001086596201 1002620636 /nfs/dbraw/zinc/62/06/36/1002620636.db2.gz PVFJIUULPGOJKA-LVCYWYKZSA-N 2 1 364.493 2.593 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001086596201 1002620645 /nfs/dbraw/zinc/62/06/45/1002620645.db2.gz PVFJIUULPGOJKA-LVCYWYKZSA-N 2 1 364.493 2.593 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001186202977 1003221136 /nfs/dbraw/zinc/22/11/36/1003221136.db2.gz BZQZPCOHQIFMCL-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001186202977 1003221140 /nfs/dbraw/zinc/22/11/40/1003221140.db2.gz BZQZPCOHQIFMCL-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001186202977 1003221146 /nfs/dbraw/zinc/22/11/46/1003221146.db2.gz BZQZPCOHQIFMCL-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001092658046 1003362329 /nfs/dbraw/zinc/36/23/29/1003362329.db2.gz DKZVBNLVGAIBTN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092658046 1003362340 /nfs/dbraw/zinc/36/23/40/1003362340.db2.gz DKZVBNLVGAIBTN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092658046 1003362346 /nfs/dbraw/zinc/36/23/46/1003362346.db2.gz DKZVBNLVGAIBTN-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001092658047 1003363053 /nfs/dbraw/zinc/36/30/53/1003363053.db2.gz DKZVBNLVGAIBTN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092658047 1003363064 /nfs/dbraw/zinc/36/30/64/1003363064.db2.gz DKZVBNLVGAIBTN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092658047 1003363073 /nfs/dbraw/zinc/36/30/73/1003363073.db2.gz DKZVBNLVGAIBTN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001092688856 1003491361 /nfs/dbraw/zinc/49/13/61/1003491361.db2.gz DCOWMAIJNMGRJL-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001092688856 1003491365 /nfs/dbraw/zinc/49/13/65/1003491365.db2.gz DCOWMAIJNMGRJL-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001092688856 1003491367 /nfs/dbraw/zinc/49/13/67/1003491367.db2.gz DCOWMAIJNMGRJL-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001092688856 1003491371 /nfs/dbraw/zinc/49/13/71/1003491371.db2.gz DCOWMAIJNMGRJL-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852858297 1006209976 /nfs/dbraw/zinc/20/99/76/1006209976.db2.gz XEIMUDFEQPPGHI-SFHVURJKSA-N 2 1 353.510 2.538 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001086720786 1006256680 /nfs/dbraw/zinc/25/66/80/1006256680.db2.gz ODYANWVBANGMKJ-VWPQPMDRSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001086720786 1006256690 /nfs/dbraw/zinc/25/66/90/1006256690.db2.gz ODYANWVBANGMKJ-VWPQPMDRSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086721434 1006286810 /nfs/dbraw/zinc/28/68/10/1006286810.db2.gz ZBNDDRZTINXUMK-UHOSZYNNSA-N 2 1 359.539 2.529 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086721434 1006286822 /nfs/dbraw/zinc/28/68/22/1006286822.db2.gz ZBNDDRZTINXUMK-UHOSZYNNSA-N 2 1 359.539 2.529 20 30 FFEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110684484 1006827655 /nfs/dbraw/zinc/82/76/55/1006827655.db2.gz MEWQSUPRMAAXLG-SFUIVIKGSA-N 2 1 372.538 2.716 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110684484 1006827672 /nfs/dbraw/zinc/82/76/72/1006827672.db2.gz MEWQSUPRMAAXLG-SFUIVIKGSA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110684484 1006827685 /nfs/dbraw/zinc/82/76/85/1006827685.db2.gz MEWQSUPRMAAXLG-SFUIVIKGSA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110684484 1006827704 /nfs/dbraw/zinc/82/77/04/1006827704.db2.gz MEWQSUPRMAAXLG-SFUIVIKGSA-N 2 1 372.538 2.716 20 30 FFEDMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(F)c(Cl)c(C#N)c1Cl ZINC001189860587 1007309231 /nfs/dbraw/zinc/30/92/31/1007309231.db2.gz JHIZPFJLIYUUOB-UHFFFAOYSA-N 2 1 374.247 2.682 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N ZINC001095405922 1010454167 /nfs/dbraw/zinc/45/41/67/1010454167.db2.gz FKZBMFLAWMEAPE-ANULTFPQSA-N 2 1 366.509 2.653 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094452731 1011141465 /nfs/dbraw/zinc/14/14/65/1011141465.db2.gz BEXDNCJHAKSJNL-TZIWHRDSSA-N 2 1 350.466 2.640 20 30 FFEDMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC001172253300 1011727078 /nfs/dbraw/zinc/72/70/78/1011727078.db2.gz KEIHCCPAJSIPHD-UHFFFAOYSA-N 2 1 357.498 2.902 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)CC(C)C)c1 ZINC000303881344 1012499436 /nfs/dbraw/zinc/49/94/36/1012499436.db2.gz KVADUJQCBBCSNT-GOSISDBHSA-N 2 1 359.518 2.560 20 30 FFEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NC2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303889432 1012501527 /nfs/dbraw/zinc/50/15/27/1012501527.db2.gz LVZUEMQIGLUAJW-FQEVSTJZSA-N 2 1 357.546 2.602 20 30 FFEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NC2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303889432 1012501543 /nfs/dbraw/zinc/50/15/43/1012501543.db2.gz LVZUEMQIGLUAJW-FQEVSTJZSA-N 2 1 357.546 2.602 20 30 FFEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NC2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303889432 1012501566 /nfs/dbraw/zinc/50/15/66/1012501566.db2.gz LVZUEMQIGLUAJW-FQEVSTJZSA-N 2 1 357.546 2.602 20 30 FFEDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000303970545 1012547163 /nfs/dbraw/zinc/54/71/63/1012547163.db2.gz CQXSEFIENMZTPD-GOSISDBHSA-N 2 1 371.529 2.528 20 30 FFEDMP CN1CCC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)([NH+]2CCCCC2)CC1 ZINC000304794957 1012873383 /nfs/dbraw/zinc/87/33/83/1012873383.db2.gz METAORAWLTXLGK-UHFFFAOYSA-N 2 1 369.557 2.852 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001052395513 1017396913 /nfs/dbraw/zinc/39/69/13/1017396913.db2.gz SZHSHKWFFVYKEL-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC001052395513 1017396918 /nfs/dbraw/zinc/39/69/18/1017396918.db2.gz SZHSHKWFFVYKEL-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC001052395513 1017396930 /nfs/dbraw/zinc/39/69/30/1017396930.db2.gz SZHSHKWFFVYKEL-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)s1 ZINC001111453341 1017727793 /nfs/dbraw/zinc/72/77/93/1017727793.db2.gz ZNHPRDNVMWJGSY-LZQZEXGQSA-N 2 1 372.538 2.717 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)s1 ZINC001111453341 1017727799 /nfs/dbraw/zinc/72/77/99/1017727799.db2.gz ZNHPRDNVMWJGSY-LZQZEXGQSA-N 2 1 372.538 2.717 20 30 FFEDMP C=CCOc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000925976689 1017927874 /nfs/dbraw/zinc/92/78/74/1017927874.db2.gz VLZCOTOCDZZWQD-KDURUIRLSA-N 2 1 370.497 2.684 20 30 FFEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000929973330 1019784570 /nfs/dbraw/zinc/78/45/70/1019784570.db2.gz XYEUNXAZZOHVGN-UHFFFAOYSA-N 2 1 368.525 2.551 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc(C#N)ccn1 ZINC000902948726 1020593218 /nfs/dbraw/zinc/59/32/18/1020593218.db2.gz WFZRDHLZOXMJIP-JXFKEZNVSA-N 2 1 350.466 2.761 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(C#N)ccn1 ZINC000902948726 1020593222 /nfs/dbraw/zinc/59/32/22/1020593222.db2.gz WFZRDHLZOXMJIP-JXFKEZNVSA-N 2 1 350.466 2.761 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000935271235 1021642769 /nfs/dbraw/zinc/64/27/69/1021642769.db2.gz RFFZIYQGPSVJJB-LJQANCHMSA-N 2 1 354.498 2.534 20 30 FFEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001099079828 1021733035 /nfs/dbraw/zinc/73/30/35/1021733035.db2.gz JRHRSFZEZPJWED-CEXWTWQISA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099079828 1021733049 /nfs/dbraw/zinc/73/30/49/1021733049.db2.gz JRHRSFZEZPJWED-CEXWTWQISA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099079828 1021733056 /nfs/dbraw/zinc/73/30/56/1021733056.db2.gz JRHRSFZEZPJWED-CEXWTWQISA-N 2 1 365.562 2.526 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001101284906 1024325204 /nfs/dbraw/zinc/32/52/04/1024325204.db2.gz FKRMKPLWEOZKHR-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001101284906 1024325217 /nfs/dbraw/zinc/32/52/17/1024325217.db2.gz FKRMKPLWEOZKHR-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001101284906 1024325232 /nfs/dbraw/zinc/32/52/32/1024325232.db2.gz FKRMKPLWEOZKHR-KNQAVFIVSA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102373213 1025839981 /nfs/dbraw/zinc/83/99/81/1025839981.db2.gz YVOYZTDISOAAEJ-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102373213 1025840003 /nfs/dbraw/zinc/84/00/03/1025840003.db2.gz YVOYZTDISOAAEJ-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102373213 1025840022 /nfs/dbraw/zinc/84/00/22/1025840022.db2.gz YVOYZTDISOAAEJ-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000838623960 1026443816 /nfs/dbraw/zinc/44/38/16/1026443816.db2.gz ZFEFGRCHFWOMQO-PZJWPPBQSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000838623960 1026443822 /nfs/dbraw/zinc/44/38/22/1026443822.db2.gz ZFEFGRCHFWOMQO-PZJWPPBQSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000838623960 1026443830 /nfs/dbraw/zinc/44/38/30/1026443830.db2.gz ZFEFGRCHFWOMQO-PZJWPPBQSA-N 2 1 370.541 2.809 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987375 1026858802 /nfs/dbraw/zinc/85/88/02/1026858802.db2.gz AGFDOHIATTVEPL-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987375 1026858815 /nfs/dbraw/zinc/85/88/15/1026858815.db2.gz AGFDOHIATTVEPL-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987375 1026858828 /nfs/dbraw/zinc/85/88/28/1026858828.db2.gz AGFDOHIATTVEPL-VAMGGRTRSA-N 2 1 359.558 2.739 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103171498 1027028329 /nfs/dbraw/zinc/02/83/29/1027028329.db2.gz FIEQXTNJJJVJSK-SJLPKXTDSA-N 2 1 370.497 2.533 20 30 FFEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCC[N@H+](C)C2CC2)CC1=O ZINC000840702692 1027218731 /nfs/dbraw/zinc/21/87/31/1027218731.db2.gz DXUVEZKLPGJOQX-UHFFFAOYSA-N 2 1 367.497 2.521 20 30 FFEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCC[N@@H+](C)C2CC2)CC1=O ZINC000840702692 1027218746 /nfs/dbraw/zinc/21/87/46/1027218746.db2.gz DXUVEZKLPGJOQX-UHFFFAOYSA-N 2 1 367.497 2.521 20 30 FFEDMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](C)C ZINC001103407679 1027416711 /nfs/dbraw/zinc/41/67/11/1027416711.db2.gz OZJTWXYSASACCV-DUXKGJEZSA-N 2 1 370.541 2.719 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433728 1027474470 /nfs/dbraw/zinc/47/44/70/1027474470.db2.gz KEACWAKUGHSBGY-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433728 1027474477 /nfs/dbraw/zinc/47/44/77/1027474477.db2.gz KEACWAKUGHSBGY-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433728 1027474483 /nfs/dbraw/zinc/47/44/83/1027474483.db2.gz KEACWAKUGHSBGY-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP N#Cc1c(Cl)c2ccccc2nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155381944 1028709021 /nfs/dbraw/zinc/70/90/21/1028709021.db2.gz IRTFMAJRJZNHLF-AWEZNQCLSA-N 2 1 355.873 2.619 20 30 FFEDMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001156672495 1029301161 /nfs/dbraw/zinc/30/11/61/1029301161.db2.gz QJGPQDAUEPRORZ-LJQANCHMSA-N 2 1 361.555 2.743 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001156672495 1029301171 /nfs/dbraw/zinc/30/11/71/1029301171.db2.gz QJGPQDAUEPRORZ-LJQANCHMSA-N 2 1 361.555 2.743 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001111870709 1029650708 /nfs/dbraw/zinc/65/07/08/1029650708.db2.gz KNVJFDWZHAGGEH-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001111870709 1029650710 /nfs/dbraw/zinc/65/07/10/1029650710.db2.gz KNVJFDWZHAGGEH-WFXMLNOXSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001111874281 1029656329 /nfs/dbraw/zinc/65/63/29/1029656329.db2.gz XUJXFXJCCWLBOA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001111874281 1029656338 /nfs/dbraw/zinc/65/63/38/1029656338.db2.gz XUJXFXJCCWLBOA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001111874281 1029656341 /nfs/dbraw/zinc/65/63/41/1029656341.db2.gz XUJXFXJCCWLBOA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001111874281 1029656348 /nfs/dbraw/zinc/65/63/48/1029656348.db2.gz XUJXFXJCCWLBOA-UNMCSNQZSA-N 2 1 355.526 2.708 20 30 FFEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291612 1030487829 /nfs/dbraw/zinc/48/78/29/1030487829.db2.gz RPCHFPVDRNHOER-ZVDOUQERSA-N 2 1 365.562 2.506 20 30 FFEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291612 1030487856 /nfs/dbraw/zinc/48/78/56/1030487856.db2.gz RPCHFPVDRNHOER-ZVDOUQERSA-N 2 1 365.562 2.506 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396885 1030741487 /nfs/dbraw/zinc/74/14/87/1030741487.db2.gz INLGHHXSRYXYTM-DWLFOUALSA-N 2 1 357.542 2.635 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001205326205 1031671473 /nfs/dbraw/zinc/67/14/73/1031671473.db2.gz RXZMSJQJIQGEGV-YSIASYRMSA-N 2 1 359.489 2.628 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611647 1031871711 /nfs/dbraw/zinc/87/17/11/1031871711.db2.gz OXWSUXPAZPWDCP-TYPHKJRUSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001218775636 1033336624 /nfs/dbraw/zinc/33/66/24/1033336624.db2.gz DJWRUCHZHSYFQE-JRGCBEDISA-N 2 1 371.525 2.628 20 30 FFEDMP C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000829804584 1033348048 /nfs/dbraw/zinc/34/80/48/1033348048.db2.gz JJBJXZXGAITGJQ-SFHVURJKSA-N 2 1 371.550 2.909 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226613350 1034756466 /nfs/dbraw/zinc/75/64/66/1034756466.db2.gz GJUNTIPEPKGFCP-YPAWHYETSA-N 2 1 367.537 2.930 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC(=O)CC)cc2)CC1 ZINC001138967271 1034851228 /nfs/dbraw/zinc/85/12/28/1034851228.db2.gz FFCVXYSWLMYRIG-UHFFFAOYSA-N 2 1 371.525 2.794 20 30 FFEDMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](Cc3cccc(C#N)c3)C[C@H]21)CC(C)(C)C ZINC001221816928 1035090880 /nfs/dbraw/zinc/09/08/80/1035090880.db2.gz GERVLUVPNGVRIH-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](Cc3cccc(C#N)c3)C[C@H]21)CC(C)(C)C ZINC001221816928 1035090887 /nfs/dbraw/zinc/09/08/87/1035090887.db2.gz GERVLUVPNGVRIH-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21)CC(C)(C)C ZINC001221816928 1035090893 /nfs/dbraw/zinc/09/08/93/1035090893.db2.gz GERVLUVPNGVRIH-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)CC(C)(C)C ZINC001221816928 1035090899 /nfs/dbraw/zinc/09/08/99/1035090899.db2.gz GERVLUVPNGVRIH-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(C#N)cc45)C[C@@H]3C2)cn1 ZINC001140113306 1035345032 /nfs/dbraw/zinc/34/50/32/1035345032.db2.gz WAMJTMOUPGGIRE-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(C#N)cc45)C[C@@H]3C2)cn1 ZINC001140113306 1035345035 /nfs/dbraw/zinc/34/50/35/1035345035.db2.gz WAMJTMOUPGGIRE-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5ccc(C#N)cc45)C[C@@H]3C2)cn1 ZINC001140113306 1035345039 /nfs/dbraw/zinc/34/50/39/1035345039.db2.gz WAMJTMOUPGGIRE-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5ccc(C#N)cc45)C[C@@H]3C2)cn1 ZINC001140113306 1035345044 /nfs/dbraw/zinc/34/50/44/1035345044.db2.gz WAMJTMOUPGGIRE-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227728048 1035700398 /nfs/dbraw/zinc/70/03/98/1035700398.db2.gz JZWGULLHWIVPDO-WOJBJXKFSA-N 2 1 365.562 2.861 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001228938918 1036419719 /nfs/dbraw/zinc/41/97/19/1036419719.db2.gz HJANPUUREMIZNE-QZTJIDSGSA-N 2 1 362.518 2.616 20 30 FFEDMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(Cl)cccc3C#N)C[C@@H]1CC[NH2+]CC2 ZINC001235350858 1037496929 /nfs/dbraw/zinc/49/69/29/1037496929.db2.gz AGUJATBZRIXYFZ-KXBFYZLASA-N 2 1 361.873 2.576 20 30 FFEDMP N#CCc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001235519516 1037602642 /nfs/dbraw/zinc/60/26/42/1037602642.db2.gz UVYJZQOBDGWLHN-UHFFFAOYSA-N 2 1 363.509 2.993 20 30 FFEDMP CCOC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001256026307 1038322586 /nfs/dbraw/zinc/32/25/86/1038322586.db2.gz UWTAPYNHZFSRCB-VAMGGRTRSA-N 2 1 370.497 2.861 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738388 1038501416 /nfs/dbraw/zinc/50/14/16/1038501416.db2.gz CICVDCRKUZACCI-HSALFYBXSA-N 2 1 365.562 2.670 20 30 FFEDMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256529146 1038547178 /nfs/dbraw/zinc/54/71/78/1038547178.db2.gz RBTQLEPHRHIYCI-BEFAXECRSA-N 2 1 350.466 2.544 20 30 FFEDMP C=CCN1CC[C@@]2(CCC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)C1=O ZINC001256859552 1038637821 /nfs/dbraw/zinc/63/78/21/1038637821.db2.gz OIUOIFPPCRJZRD-OAQYLSRUSA-N 2 1 354.498 2.551 20 30 FFEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001252595030 1039604334 /nfs/dbraw/zinc/60/43/34/1039604334.db2.gz CBUSGTPUOLMTJM-FSSWDIPSSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252595030 1039604337 /nfs/dbraw/zinc/60/43/37/1039604337.db2.gz CBUSGTPUOLMTJM-FSSWDIPSSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001252595030 1039604340 /nfs/dbraw/zinc/60/43/40/1039604340.db2.gz CBUSGTPUOLMTJM-FSSWDIPSSA-N 2 1 362.558 2.774 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164488 1040299426 /nfs/dbraw/zinc/29/94/26/1040299426.db2.gz WMAQALVBJCSPTH-RTBURBONSA-N 2 1 356.470 2.510 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001213526465 1040640960 /nfs/dbraw/zinc/64/09/60/1040640960.db2.gz MMPGBMUOVLYCBI-HSALFYBXSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001213526465 1040640973 /nfs/dbraw/zinc/64/09/73/1040640973.db2.gz MMPGBMUOVLYCBI-HSALFYBXSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001213526465 1040640978 /nfs/dbraw/zinc/64/09/78/1040640978.db2.gz MMPGBMUOVLYCBI-HSALFYBXSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](OC)C1 ZINC001213968861 1041126406 /nfs/dbraw/zinc/12/64/06/1041126406.db2.gz SAZMLXAXKGKQSB-IEBWSBKVSA-N 2 1 363.502 2.517 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001264492690 1042696830 /nfs/dbraw/zinc/69/68/30/1042696830.db2.gz ZUDWSQZFWWJHTB-BDTNDASRSA-N 2 1 367.537 2.787 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(O)cc2)CC3)cc1C#N ZINC001279184340 1042936158 /nfs/dbraw/zinc/93/61/58/1042936158.db2.gz TWYWSEDDZDEVMB-UHFFFAOYSA-N 2 1 350.466 2.700 20 30 FFEDMP Cc1ncsc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279408497 1043070892 /nfs/dbraw/zinc/07/08/92/1043070892.db2.gz IOMYNGNPPPTFHC-UHFFFAOYSA-N 2 1 355.511 2.760 20 30 FFEDMP CCCCCCC[N@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001279865211 1043796747 /nfs/dbraw/zinc/79/67/47/1043796747.db2.gz RSSRHIGBNLIPRB-UHFFFAOYSA-N 2 1 361.534 2.562 20 30 FFEDMP C=CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001278269586 1043830754 /nfs/dbraw/zinc/83/07/54/1043830754.db2.gz MBNSBKOUEBJGKS-HBMCJLEFSA-N 2 1 359.558 2.997 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001312790106 1044171242 /nfs/dbraw/zinc/17/12/42/1044171242.db2.gz VGOGKAORQQDBDV-NRFANRHFSA-N 2 1 370.541 2.638 20 30 FFEDMP C=CCCC[N@H+]1CCc2nc(C(=O)N3CCC([NH+](C)C)CC3)ccc2C1 ZINC001280121288 1044251911 /nfs/dbraw/zinc/25/19/11/1044251911.db2.gz RVZMGCZRWOQFHV-UHFFFAOYSA-N 2 1 356.514 2.572 20 30 FFEDMP N#CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(F)cc4c3OCOC4)CC[C@@H]2C1 ZINC001280180934 1044362237 /nfs/dbraw/zinc/36/22/37/1044362237.db2.gz BFAZEWRUXYPQDX-IYBDPMFKSA-N 2 1 359.445 2.750 20 30 FFEDMP N#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC[C@@H]2C1 ZINC001280180934 1044362245 /nfs/dbraw/zinc/36/22/45/1044362245.db2.gz BFAZEWRUXYPQDX-IYBDPMFKSA-N 2 1 359.445 2.750 20 30 FFEDMP N#CCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC[C@@H]2C1 ZINC001280180934 1044362252 /nfs/dbraw/zinc/36/22/52/1044362252.db2.gz BFAZEWRUXYPQDX-IYBDPMFKSA-N 2 1 359.445 2.750 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001318661303 1044796455 /nfs/dbraw/zinc/79/64/55/1044796455.db2.gz ZEGUHWPMIAQFCM-FQEVSTJZSA-N 2 1 356.514 2.593 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001318661303 1044796469 /nfs/dbraw/zinc/79/64/69/1044796469.db2.gz ZEGUHWPMIAQFCM-FQEVSTJZSA-N 2 1 356.514 2.593 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)nc1 ZINC001278371495 1045016976 /nfs/dbraw/zinc/01/69/76/1045016976.db2.gz IFJOHFOFPYJURG-UHFFFAOYSA-N 2 1 350.470 2.555 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001283178343 1046349907 /nfs/dbraw/zinc/34/99/07/1046349907.db2.gz QVQUQUZRBDHNBA-LSTHTHJFSA-N 2 1 356.514 2.663 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582792 1070939754 /nfs/dbraw/zinc/93/97/54/1070939754.db2.gz XQHNWRPVWPWLQK-NHCUHLMSSA-N 2 1 368.525 2.713 20 30 FFEDMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582792 1070939766 /nfs/dbraw/zinc/93/97/66/1070939766.db2.gz XQHNWRPVWPWLQK-NHCUHLMSSA-N 2 1 368.525 2.713 20 30 FFEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001341601498 1050228294 /nfs/dbraw/zinc/22/82/94/1050228294.db2.gz VFUWVCBOHCCZRP-QGZVFWFLSA-N 2 1 364.559 2.717 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001342355258 1050950106 /nfs/dbraw/zinc/95/01/06/1050950106.db2.gz OLNBBXOVTPBYAW-GBESFXJTSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001342355258 1050950113 /nfs/dbraw/zinc/95/01/13/1050950113.db2.gz OLNBBXOVTPBYAW-GBESFXJTSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001342355258 1050950127 /nfs/dbraw/zinc/95/01/27/1050950127.db2.gz OLNBBXOVTPBYAW-GBESFXJTSA-N 2 1 374.577 2.830 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC001338490740 1055563600 /nfs/dbraw/zinc/56/36/00/1055563600.db2.gz AQZXETQZMTZMNK-NRFANRHFSA-N 2 1 352.478 2.657 20 30 FFEDMP C=CC[C@@]1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCC[NH2+]1 ZINC001574889224 1078090280 /nfs/dbraw/zinc/09/02/80/1078090280.db2.gz LXTQTDCVEWRIMA-QFIPXVFZSA-N 2 1 353.510 2.734 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC/C=C/CCC)CC[C@@H]3C2)CC1 ZINC001566054475 1076882402 /nfs/dbraw/zinc/88/24/02/1076882402.db2.gz BUHVTPOXDVZBBZ-ZMKQJOBHSA-N 2 1 371.569 2.858 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C)[NH+](C)C ZINC001566103546 1076907825 /nfs/dbraw/zinc/90/78/25/1076907825.db2.gz OQKAAEJFZCHSGL-MNEFBYGVSA-N 2 1 361.917 2.611 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C)[NH+](C)C ZINC001566103546 1076907831 /nfs/dbraw/zinc/90/78/31/1076907831.db2.gz OQKAAEJFZCHSGL-MNEFBYGVSA-N 2 1 361.917 2.611 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001566975930 1076991914 /nfs/dbraw/zinc/99/19/14/1076991914.db2.gz BQOBQTDWTALKCB-GDGLQOOESA-N 2 1 367.537 2.733 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566975930 1076991916 /nfs/dbraw/zinc/99/19/16/1076991916.db2.gz BQOBQTDWTALKCB-GDGLQOOESA-N 2 1 367.537 2.733 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001566975930 1076991919 /nfs/dbraw/zinc/99/19/19/1076991919.db2.gz BQOBQTDWTALKCB-GDGLQOOESA-N 2 1 367.537 2.733 20 30 FFEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001569320308 1077138969 /nfs/dbraw/zinc/13/89/69/1077138969.db2.gz QCXNORCZRIGFEN-HKBOAZHASA-N 2 1 355.526 2.782 20 30 FFEDMP C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001574486418 1078000538 /nfs/dbraw/zinc/00/05/38/1078000538.db2.gz NNNUJXSEGSLMNI-OKZBNKHCSA-N 2 1 372.561 2.595 20 30 FFEDMP CC[NH+](CC)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053956784 506463526 /nfs/dbraw/zinc/46/35/26/506463526.db2.gz LOGBYYITYORBGB-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074132501 507990123 /nfs/dbraw/zinc/99/01/23/507990123.db2.gz FDZWHVNGTUIQOR-HXUWFJFHSA-N 2 1 356.514 2.553 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080121109 508040934 /nfs/dbraw/zinc/04/09/34/508040934.db2.gz UBVADNDZQONDHG-RXVVDRJESA-N 2 1 370.541 2.989 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074917919 508070641 /nfs/dbraw/zinc/07/06/41/508070641.db2.gz ZLVMHFJXVWBXHR-FXAWDEMLSA-N 2 1 371.529 2.677 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820866 508102472 /nfs/dbraw/zinc/10/24/72/508102472.db2.gz RCSHBRHJFPNUBD-OAQYLSRUSA-N 2 1 371.529 2.674 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142921 508299120 /nfs/dbraw/zinc/29/91/20/508299120.db2.gz WUOFANRYUSKHDD-LJQANCHMSA-N 2 1 370.541 2.839 20 30 FFEDMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000114455829 508315386 /nfs/dbraw/zinc/31/53/86/508315386.db2.gz HRSUYDPIFSZSRX-UHFFFAOYSA-N 2 1 356.514 2.758 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000106341205 508399523 /nfs/dbraw/zinc/39/95/23/508399523.db2.gz WGLKEALEOXFIOS-FQEVSTJZSA-N 2 1 356.514 2.725 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000106341205 508399524 /nfs/dbraw/zinc/39/95/24/508399524.db2.gz WGLKEALEOXFIOS-FQEVSTJZSA-N 2 1 356.514 2.725 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000137461490 508757056 /nfs/dbraw/zinc/75/70/56/508757056.db2.gz XWNGQXGEWJEZQK-QGZVFWFLSA-N 2 1 359.514 2.963 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000150746112 508884539 /nfs/dbraw/zinc/88/45/39/508884539.db2.gz GMIXKEZLSQANIM-GHTZIAJQSA-N 2 1 370.541 2.989 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264122853 509341547 /nfs/dbraw/zinc/34/15/47/509341547.db2.gz VJEHWKCRMJBYMG-UHFFFAOYSA-N 2 1 370.497 2.760 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249474171 509688638 /nfs/dbraw/zinc/68/86/38/509688638.db2.gz UZHRNOKGSFQLFN-FXAWDEMLSA-N 2 1 372.513 2.613 20 30 FFEDMP C=CCOCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245623227 510045904 /nfs/dbraw/zinc/04/59/04/510045904.db2.gz BMHKPGDWAVEMTL-VQTJNVASSA-N 2 1 365.562 2.765 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C(C)C ZINC000246050856 510264677 /nfs/dbraw/zinc/26/46/77/510264677.db2.gz YBNWAIGLDJQNIY-XUVXKRRUSA-N 2 1 362.562 2.811 20 30 FFEDMP Cc1cnc(CC[NH+](C)CC#CC[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000276290915 510931804 /nfs/dbraw/zinc/93/18/04/510931804.db2.gz HYMXUFXAYFVHJQ-UHFFFAOYSA-N 2 1 362.568 2.869 20 30 FFEDMP C=CCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000289397126 511099817 /nfs/dbraw/zinc/09/98/17/511099817.db2.gz FYGKXTBYXGOYIX-UHFFFAOYSA-N 2 1 361.530 2.718 20 30 FFEDMP C[N@H+]1CCC[C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487143 511100809 /nfs/dbraw/zinc/10/08/09/511100809.db2.gz XQHHSFVTSNQDMX-UYAOXDASSA-N 2 1 364.497 2.775 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288634 511490978 /nfs/dbraw/zinc/49/09/78/511490978.db2.gz FIFHNLOJTMAQGC-QUCCMNQESA-N 2 1 370.541 2.847 20 30 FFEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000272621014 511501603 /nfs/dbraw/zinc/50/16/03/511501603.db2.gz UTVPVLDQPGMLHU-SFHVURJKSA-N 2 1 368.525 2.781 20 30 FFEDMP C[NH+]1CCC(C)(CNC([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329518916 512062396 /nfs/dbraw/zinc/06/23/96/512062396.db2.gz PXJLFKXSCUEYLH-OAHLLOKOSA-N 2 1 361.534 2.731 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000369590695 512499022 /nfs/dbraw/zinc/49/90/22/512499022.db2.gz GTCDQLCOJTXCEY-IBGZPJMESA-N 2 1 371.500 2.642 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(C#N)cc1F ZINC000413181811 513503490 /nfs/dbraw/zinc/50/34/90/513503490.db2.gz QYDUPJWIMUEQPQ-UHFFFAOYSA-N 2 1 359.493 2.725 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000413231502 513535530 /nfs/dbraw/zinc/53/55/30/513535530.db2.gz FTZGGTVKGJFCOX-GOSISDBHSA-N 2 1 356.514 2.553 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000413231502 513535534 /nfs/dbraw/zinc/53/55/34/513535534.db2.gz FTZGGTVKGJFCOX-GOSISDBHSA-N 2 1 356.514 2.553 20 30 FFEDMP CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424132119 514392292 /nfs/dbraw/zinc/39/22/92/514392292.db2.gz KJJGXUOTHWFNLZ-VQTJNVASSA-N 2 1 356.514 2.911 20 30 FFEDMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424137653 514395559 /nfs/dbraw/zinc/39/55/59/514395559.db2.gz SJOQFEVEFHYFGG-MOPGFXCFSA-N 2 1 356.514 2.597 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000424136384 514395881 /nfs/dbraw/zinc/39/58/81/514395881.db2.gz AMRDZYGCHSITRG-ROUUACIJSA-N 2 1 362.905 2.832 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000424136384 514395888 /nfs/dbraw/zinc/39/58/88/514395888.db2.gz AMRDZYGCHSITRG-ROUUACIJSA-N 2 1 362.905 2.832 20 30 FFEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000503184411 514947103 /nfs/dbraw/zinc/94/71/03/514947103.db2.gz ZWAFSTOLTYSINW-WOJBJXKFSA-N 2 1 356.514 2.665 20 30 FFEDMP C=C(CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000512680397 516320813 /nfs/dbraw/zinc/32/08/13/516320813.db2.gz AUHVVTGUDXTLMO-FQEVSTJZSA-N 2 1 358.530 2.757 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000552017970 517032391 /nfs/dbraw/zinc/03/23/91/517032391.db2.gz DBCHWMVQFJOMBN-UHFFFAOYSA-N 2 1 355.829 2.611 20 30 FFEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C#N)cc2F)c2cccs2)CC1 ZINC000532588730 517050509 /nfs/dbraw/zinc/05/05/09/517050509.db2.gz KVAXQOKGELTDOV-GOSISDBHSA-N 2 1 358.486 2.837 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCCN(Cc4cccs4)C3)cnc12 ZINC000556206957 517317955 /nfs/dbraw/zinc/31/79/55/517317955.db2.gz QNKXBZBSSLWFDP-OAHLLOKOSA-N 2 1 366.494 2.664 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cnc12 ZINC000556206957 517317962 /nfs/dbraw/zinc/31/79/62/517317962.db2.gz QNKXBZBSSLWFDP-OAHLLOKOSA-N 2 1 366.494 2.664 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cnc12 ZINC000556206957 517317975 /nfs/dbraw/zinc/31/79/75/517317975.db2.gz QNKXBZBSSLWFDP-OAHLLOKOSA-N 2 1 366.494 2.664 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC000517335686 518121633 /nfs/dbraw/zinc/12/16/33/518121633.db2.gz UUBHOLJHEXRMMU-OAQYLSRUSA-N 2 1 370.541 2.773 20 30 FFEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000567314910 518459071 /nfs/dbraw/zinc/45/90/71/518459071.db2.gz ZUMFKPGFYVAPNX-UHFFFAOYSA-N 2 1 368.447 2.940 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574317428 519096872 /nfs/dbraw/zinc/09/68/72/519096872.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317428 519096878 /nfs/dbraw/zinc/09/68/78/519096878.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317428 519096883 /nfs/dbraw/zinc/09/68/83/519096883.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 2 1 360.542 2.772 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000600736965 520435827 /nfs/dbraw/zinc/43/58/27/520435827.db2.gz TZDDNHIFVQYSQA-XSDIEEQYSA-N 2 1 353.510 2.931 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000614178412 520838567 /nfs/dbraw/zinc/83/85/67/520838567.db2.gz AOCIEMOXONBSAT-RXVVDRJESA-N 2 1 354.542 2.946 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599355100 521170756 /nfs/dbraw/zinc/17/07/56/521170756.db2.gz UEUOQOOUXSXYNO-UZLBHIALSA-N 2 1 368.481 2.903 20 30 FFEDMP C[NH+]=C(NCC1CCOCC1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246266007 729583696 /nfs/dbraw/zinc/58/36/96/729583696.db2.gz VIUDUMBIGCUHCI-FUHWJXTLSA-N 2 1 364.559 2.723 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262025667 729657614 /nfs/dbraw/zinc/65/76/14/729657614.db2.gz NFIRFMDTMCIQRQ-CPUCHLNUSA-N 2 1 368.884 2.555 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1Cl ZINC000303893911 729735524 /nfs/dbraw/zinc/73/55/24/729735524.db2.gz SFSHMJMMODUWRP-CYBMUJFWSA-N 2 1 373.726 2.991 20 30 FFEDMP FC1(F)[C@@H]2C[NH+](C[C@@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530571 738298434 /nfs/dbraw/zinc/29/84/34/738298434.db2.gz GZAXBXRLZFACEY-IWSPIJDZSA-N 2 1 352.269 2.699 20 30 FFEDMP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048525332 743404738 /nfs/dbraw/zinc/40/47/38/743404738.db2.gz CFXPZZBQVDERNM-FLXSYLCISA-N 2 1 353.938 2.828 20 30 FFEDMP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048525332 743404743 /nfs/dbraw/zinc/40/47/43/743404743.db2.gz CFXPZZBQVDERNM-FLXSYLCISA-N 2 1 353.938 2.828 20 30 FFEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048525332 743404747 /nfs/dbraw/zinc/40/47/47/743404747.db2.gz CFXPZZBQVDERNM-FLXSYLCISA-N 2 1 353.938 2.828 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCC(OC(C)(C)C)CC1 ZINC000159565230 845687299 /nfs/dbraw/zinc/68/72/99/845687299.db2.gz BJVMVVZTODESBZ-KRWDZBQOSA-N 2 1 352.567 2.962 20 30 FFEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001275863123 1013113202 /nfs/dbraw/zinc/11/32/02/1013113202.db2.gz WMVBFAXFMHQHOU-NRFANRHFSA-N 2 1 361.530 2.526 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104353975 963853347 /nfs/dbraw/zinc/85/33/47/963853347.db2.gz NFCJKQLIZOZMNY-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261940509 964255357 /nfs/dbraw/zinc/25/53/57/964255357.db2.gz DNIKXNSZTKXCIY-FHWLQOOXSA-N 2 1 360.550 2.606 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087465830 964405128 /nfs/dbraw/zinc/40/51/28/964405128.db2.gz LAWSBWGYYIAUHX-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087465830 964405132 /nfs/dbraw/zinc/40/51/32/964405132.db2.gz LAWSBWGYYIAUHX-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087465830 964405137 /nfs/dbraw/zinc/40/51/37/964405137.db2.gz LAWSBWGYYIAUHX-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087465830 964405141 /nfs/dbraw/zinc/40/51/41/964405141.db2.gz LAWSBWGYYIAUHX-NJDAHSKKSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCn1cc(CNCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)nn1 ZINC000657300465 965998950 /nfs/dbraw/zinc/99/89/50/965998950.db2.gz FVKGEYLBCWOBCG-QZTJIDSGSA-N 2 1 369.513 2.753 20 30 FFEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001075454102 966848633 /nfs/dbraw/zinc/84/86/33/966848633.db2.gz LEAOTDPYASWSBB-SESVDKBCSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)CC1 ZINC001075454102 966848641 /nfs/dbraw/zinc/84/86/41/966848641.db2.gz LEAOTDPYASWSBB-SESVDKBCSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)CC1 ZINC001075454102 966848646 /nfs/dbraw/zinc/84/86/46/966848646.db2.gz LEAOTDPYASWSBB-SESVDKBCSA-N 2 1 359.558 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087570024 968193776 /nfs/dbraw/zinc/19/37/76/968193776.db2.gz XSBLEKWILINNJT-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087570024 968193784 /nfs/dbraw/zinc/19/37/84/968193784.db2.gz XSBLEKWILINNJT-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087570024 968193792 /nfs/dbraw/zinc/19/37/92/968193792.db2.gz XSBLEKWILINNJT-HBMCJLEFSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)CC[N@@H+]1C ZINC001024448268 968918500 /nfs/dbraw/zinc/91/85/00/968918500.db2.gz HJFXDJRANNEAKI-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)CC[N@H+]1C ZINC001024448268 968918510 /nfs/dbraw/zinc/91/85/10/968918510.db2.gz HJFXDJRANNEAKI-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC001024448268 968918515 /nfs/dbraw/zinc/91/85/15/968918515.db2.gz HJFXDJRANNEAKI-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC001024448268 968918525 /nfs/dbraw/zinc/91/85/25/968918525.db2.gz HJFXDJRANNEAKI-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3)[C@@H]2CC)CC1 ZINC001087840322 970522964 /nfs/dbraw/zinc/52/29/64/970522964.db2.gz RLPSDOKXHQUEFA-LEWJYISDSA-N 2 1 371.500 2.640 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccccc3)[C@@H]2CC)CC1 ZINC001087839194 970524135 /nfs/dbraw/zinc/52/41/35/970524135.db2.gz OZJOWAIYUWYOAC-FCHUYYIVSA-N 2 1 367.537 2.543 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088107297 972828437 /nfs/dbraw/zinc/82/84/37/972828437.db2.gz QPNIVHOZFMSRMI-RTWAWAEBSA-N 2 1 355.526 2.761 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262445515 973277698 /nfs/dbraw/zinc/27/76/98/973277698.db2.gz QJHJWCZYXITQOW-WCIQWLHISA-N 2 1 370.541 2.630 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262445515 973277707 /nfs/dbraw/zinc/27/77/07/973277707.db2.gz QJHJWCZYXITQOW-WCIQWLHISA-N 2 1 370.541 2.630 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961369791 1014174274 /nfs/dbraw/zinc/17/42/74/1014174274.db2.gz YVDKCASSVSRSIY-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369791 1014174277 /nfs/dbraw/zinc/17/42/77/1014174277.db2.gz YVDKCASSVSRSIY-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961369791 1014174282 /nfs/dbraw/zinc/17/42/82/1014174282.db2.gz YVDKCASSVSRSIY-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001087431542 976044190 /nfs/dbraw/zinc/04/41/90/976044190.db2.gz VGIGFXOGTCEWSE-VSKRKVRLSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001087431542 976044204 /nfs/dbraw/zinc/04/42/04/976044204.db2.gz VGIGFXOGTCEWSE-VSKRKVRLSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001087431542 976044214 /nfs/dbraw/zinc/04/42/14/976044214.db2.gz VGIGFXOGTCEWSE-VSKRKVRLSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001087431542 976044230 /nfs/dbraw/zinc/04/42/30/976044230.db2.gz VGIGFXOGTCEWSE-VSKRKVRLSA-N 2 1 367.537 2.714 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000876735365 1014370005 /nfs/dbraw/zinc/37/00/05/1014370005.db2.gz DZKCJPVMOIAASE-NRFANRHFSA-N 2 1 362.477 2.513 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000843696361 977456006 /nfs/dbraw/zinc/45/60/06/977456006.db2.gz TYAAAWSXUAYGPI-QFIPXVFZSA-N 2 1 367.537 2.843 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001087460255 978005521 /nfs/dbraw/zinc/00/55/21/978005521.db2.gz ZDQUNKBGMDPBKB-WOJBJXKFSA-N 2 1 370.472 2.963 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000261811652 978414181 /nfs/dbraw/zinc/41/41/81/978414181.db2.gz SQGYANMVMMFDJL-ZMHJYQQXSA-N 2 1 370.541 2.628 20 30 FFEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001088387514 979406680 /nfs/dbraw/zinc/40/66/80/979406680.db2.gz TZBNLSZBSAIEQT-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)[C@@H]2C)CC[N@@H+]1C ZINC001088579706 981291364 /nfs/dbraw/zinc/29/13/64/981291364.db2.gz XXKCDUHJHSEISD-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)[C@@H]2C)CC[N@H+]1C ZINC001088579706 981291373 /nfs/dbraw/zinc/29/13/73/981291373.db2.gz XXKCDUHJHSEISD-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)CC[NH+]1C ZINC001088579706 981291379 /nfs/dbraw/zinc/29/13/79/981291379.db2.gz XXKCDUHJHSEISD-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)CC[NH+]1C ZINC001088579706 981291382 /nfs/dbraw/zinc/29/13/82/981291382.db2.gz XXKCDUHJHSEISD-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H]1C ZINC001088692908 982794406 /nfs/dbraw/zinc/79/44/06/982794406.db2.gz CUZPEPPSAZFYGF-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)CC[N@H+]1C ZINC000995839293 984145349 /nfs/dbraw/zinc/14/53/49/984145349.db2.gz KSKGIBAUKOLHTR-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2)[NH+](C)C ZINC001107553984 984684029 /nfs/dbraw/zinc/68/40/29/984684029.db2.gz STDRZGXRIBBPNP-TUNNFDKTSA-N 2 1 368.525 2.759 20 30 FFEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997766643 985731144 /nfs/dbraw/zinc/73/11/44/985731144.db2.gz DIIZELDYMZGUDT-BWAGFHJFSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386155 988541401 /nfs/dbraw/zinc/54/14/01/988541401.db2.gz CIEQMUPQHJSGNJ-GXRSIYKFSA-N 2 1 356.510 2.658 20 30 FFEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409025 990053177 /nfs/dbraw/zinc/05/31/77/990053177.db2.gz ADTBCSBVAZBOKX-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409025 990053185 /nfs/dbraw/zinc/05/31/85/990053185.db2.gz ADTBCSBVAZBOKX-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409025 990053196 /nfs/dbraw/zinc/05/31/96/990053196.db2.gz ADTBCSBVAZBOKX-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000652349601 1015533730 /nfs/dbraw/zinc/53/37/30/1015533730.db2.gz UWWOLFCHDQMISZ-BBTUJRGHSA-N 2 1 359.514 2.692 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000652349601 1015533738 /nfs/dbraw/zinc/53/37/38/1015533738.db2.gz UWWOLFCHDQMISZ-BBTUJRGHSA-N 2 1 359.514 2.692 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000923327641 991063820 /nfs/dbraw/zinc/06/38/20/991063820.db2.gz FLNOKDWGSIWPBX-AQNXPRMDSA-N 2 1 374.525 2.627 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212282406 991481813 /nfs/dbraw/zinc/48/18/13/991481813.db2.gz RXRUUQMJQWCIOZ-RTBURBONSA-N 2 1 365.562 2.813 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300247 991625052 /nfs/dbraw/zinc/62/50/52/991625052.db2.gz YXJVXNZAWHLLAU-WJFTUGDTSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300247 991625057 /nfs/dbraw/zinc/62/50/57/991625057.db2.gz YXJVXNZAWHLLAU-WJFTUGDTSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300247 991625060 /nfs/dbraw/zinc/62/50/60/991625060.db2.gz YXJVXNZAWHLLAU-WJFTUGDTSA-N 2 1 353.551 2.503 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)CC[C@H]1c1ccc(F)cc1 ZINC001079161230 991865385 /nfs/dbraw/zinc/86/53/85/991865385.db2.gz HJTKYCKQQNPTGY-ZWKOTPCHSA-N 2 1 370.472 2.987 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079161438 991867587 /nfs/dbraw/zinc/86/75/87/991867587.db2.gz PIYJFNMIAIBMHE-LSTHTHJFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079295316 991982022 /nfs/dbraw/zinc/98/20/22/991982022.db2.gz AIYTZZWXPPGRMB-ZTRFORPCSA-N 2 1 359.489 2.626 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079314699 991987623 /nfs/dbraw/zinc/98/76/23/991987623.db2.gz GPSCJPCSJUUMBN-TYPHKJRUSA-N 2 1 371.500 2.606 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079310821 992011096 /nfs/dbraw/zinc/01/10/96/992011096.db2.gz LKDNNKFXDQEQAK-XKGZKEIXSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135150 992769491 /nfs/dbraw/zinc/76/94/91/992769491.db2.gz SGTMBTQZBSCPJB-FZKQIMNGSA-N 2 1 365.462 2.518 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001080135150 992769501 /nfs/dbraw/zinc/76/95/01/992769501.db2.gz SGTMBTQZBSCPJB-FZKQIMNGSA-N 2 1 365.462 2.518 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082558408 994929070 /nfs/dbraw/zinc/92/90/70/994929070.db2.gz OTTXYPYAPGNZET-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082783117 995491279 /nfs/dbraw/zinc/49/12/79/995491279.db2.gz BTJWRXQZQGCRAW-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000730106015 996853778 /nfs/dbraw/zinc/85/37/78/996853778.db2.gz VOZRYFINSZFKHR-NRFANRHFSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000730106015 996853786 /nfs/dbraw/zinc/85/37/86/996853786.db2.gz VOZRYFINSZFKHR-NRFANRHFSA-N 2 1 353.510 2.632 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001085104751 998955225 /nfs/dbraw/zinc/95/52/25/998955225.db2.gz XPHWVVCJLKWAGX-MJGOQNOKSA-N 2 1 357.498 2.681 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085333224 999380758 /nfs/dbraw/zinc/38/07/58/999380758.db2.gz GPNISHDASILDSI-WOJBJXKFSA-N 2 1 368.525 2.807 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085432554 999518073 /nfs/dbraw/zinc/51/80/73/999518073.db2.gz DXFGAPFGAUIBDO-NJYVYQBISA-N 2 1 368.525 2.950 20 30 FFEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001171213295 1000207602 /nfs/dbraw/zinc/20/76/02/1000207602.db2.gz YFGUZYXGYYCKBP-SFHVURJKSA-N 2 1 363.509 2.840 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843552 1001071417 /nfs/dbraw/zinc/07/14/17/1001071417.db2.gz PZEDYAAOYHTFPD-YRPNKDGESA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843552 1001071424 /nfs/dbraw/zinc/07/14/24/1001071424.db2.gz PZEDYAAOYHTFPD-YRPNKDGESA-N 2 1 363.546 2.565 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112561188 1001478701 /nfs/dbraw/zinc/47/87/01/1001478701.db2.gz KXLMSROTZYSGQY-VWPQPMDRSA-N 2 1 359.558 2.883 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001092688919 1003491422 /nfs/dbraw/zinc/49/14/22/1003491422.db2.gz FWJHAMLLEOJBSU-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001092688919 1003491425 /nfs/dbraw/zinc/49/14/25/1003491425.db2.gz FWJHAMLLEOJBSU-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001092688919 1003491428 /nfs/dbraw/zinc/49/14/28/1003491428.db2.gz FWJHAMLLEOJBSU-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001092688919 1003491431 /nfs/dbraw/zinc/49/14/31/1003491431.db2.gz FWJHAMLLEOJBSU-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001092689923 1003492283 /nfs/dbraw/zinc/49/22/83/1003492283.db2.gz SANRQFRWIZXVSB-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001092689923 1003492286 /nfs/dbraw/zinc/49/22/86/1003492286.db2.gz SANRQFRWIZXVSB-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001092689923 1003492291 /nfs/dbraw/zinc/49/22/91/1003492291.db2.gz SANRQFRWIZXVSB-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001092689923 1003492296 /nfs/dbraw/zinc/49/22/96/1003492296.db2.gz SANRQFRWIZXVSB-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP CC[NH+](CC)CCCNC(=S)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001196650894 1003901542 /nfs/dbraw/zinc/90/15/42/1003901542.db2.gz IDOISUWQSBJDDZ-UHFFFAOYSA-N 2 1 365.572 2.626 20 30 FFEDMP CC[NH+](CC)CCCNC(=S)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001196650894 1003901550 /nfs/dbraw/zinc/90/15/50/1003901550.db2.gz IDOISUWQSBJDDZ-UHFFFAOYSA-N 2 1 365.572 2.626 20 30 FFEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445530 1004171494 /nfs/dbraw/zinc/17/14/94/1004171494.db2.gz LIPSQZKVZYDRBY-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445530 1004171499 /nfs/dbraw/zinc/17/14/99/1004171499.db2.gz LIPSQZKVZYDRBY-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192445530 1004171501 /nfs/dbraw/zinc/17/15/01/1004171501.db2.gz LIPSQZKVZYDRBY-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170528946 1004641523 /nfs/dbraw/zinc/64/15/23/1004641523.db2.gz DUHSOELFTPPABD-UAFMIMERSA-N 2 1 355.482 2.972 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC001201417374 1005211723 /nfs/dbraw/zinc/21/17/23/1005211723.db2.gz WTSQQXIGZUZYSC-MOPGFXCFSA-N 2 1 360.498 2.727 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001086721367 1006284773 /nfs/dbraw/zinc/28/47/73/1006284773.db2.gz VOPAFJCVAWJQAO-BDTNDASRSA-N 2 1 367.537 2.721 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001086721367 1006284774 /nfs/dbraw/zinc/28/47/74/1006284774.db2.gz VOPAFJCVAWJQAO-BDTNDASRSA-N 2 1 367.537 2.721 20 30 FFEDMP CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854044693 1006646072 /nfs/dbraw/zinc/64/60/72/1006646072.db2.gz OJDDQHTWNYFGOO-OAQYLSRUSA-N 2 1 368.525 2.639 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152133 1006928667 /nfs/dbraw/zinc/92/86/67/1006928667.db2.gz ZYVVNVROPWXQCX-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152133 1006928678 /nfs/dbraw/zinc/92/86/78/1006928678.db2.gz ZYVVNVROPWXQCX-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152133 1006928688 /nfs/dbraw/zinc/92/86/88/1006928688.db2.gz ZYVVNVROPWXQCX-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152133 1006928689 /nfs/dbraw/zinc/92/86/89/1006928689.db2.gz ZYVVNVROPWXQCX-LEWJYISDSA-N 2 1 355.526 2.660 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CC1 ZINC000816841581 1007216820 /nfs/dbraw/zinc/21/68/20/1007216820.db2.gz JOEOQOSFVLFXAP-UHFFFAOYSA-N 2 1 374.488 2.928 20 30 FFEDMP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861311 1007537460 /nfs/dbraw/zinc/53/74/60/1007537460.db2.gz CCBLAMXOFBYLEI-MBOZVWFJSA-N 2 1 356.514 2.663 20 30 FFEDMP C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000859443522 1008514944 /nfs/dbraw/zinc/51/49/44/1008514944.db2.gz JZMOBCOVNYYVSS-GOSISDBHSA-N 2 1 356.514 2.665 20 30 FFEDMP CN(c1ccccc1C[NH2+]CC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC001179780461 1009435632 /nfs/dbraw/zinc/43/56/32/1009435632.db2.gz KSHBPFAHBHFRIY-UHFFFAOYSA-N 2 1 356.514 2.627 20 30 FFEDMP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000104162772 1009930568 /nfs/dbraw/zinc/93/05/68/1009930568.db2.gz ATOBVOXONMRMCR-UHFFFAOYSA-N 2 1 365.525 2.978 20 30 FFEDMP CCCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275114890 1011958349 /nfs/dbraw/zinc/95/83/49/1011958349.db2.gz QQNMWSCEWZLPSE-HXUWFJFHSA-N 2 1 351.535 2.750 20 30 FFEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172970617 1012139942 /nfs/dbraw/zinc/13/99/42/1012139942.db2.gz IBPFCEIMWOGPRX-IKGGRYGDSA-N 2 1 350.507 2.600 20 30 FFEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172977101 1012146471 /nfs/dbraw/zinc/14/64/71/1012146471.db2.gz ZCNJDRIINAEQIY-QAETUUGQSA-N 2 1 350.507 2.740 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000303779610 1012428625 /nfs/dbraw/zinc/42/86/25/1012428625.db2.gz KRXFJWXOWWNFTA-GHTZIAJQSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000303779610 1012428641 /nfs/dbraw/zinc/42/86/41/1012428641.db2.gz KRXFJWXOWWNFTA-GHTZIAJQSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000303779610 1012428651 /nfs/dbraw/zinc/42/86/51/1012428651.db2.gz KRXFJWXOWWNFTA-GHTZIAJQSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(CC#N)CC1)CCC2 ZINC001173332908 1012445770 /nfs/dbraw/zinc/44/57/70/1012445770.db2.gz HWCGGUFNHSNLCO-UHFFFAOYSA-N 2 1 371.529 2.763 20 30 FFEDMP C=CCOC1CCC([NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173315988 1012464062 /nfs/dbraw/zinc/46/40/62/1012464062.db2.gz UQNFOPOAJWHDOB-UHFFFAOYSA-N 2 1 367.534 2.818 20 30 FFEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303872345 1012475498 /nfs/dbraw/zinc/47/54/98/1012475498.db2.gz GIENBBHMDLWLBA-QGZVFWFLSA-N 2 1 359.562 2.812 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303873826 1012476476 /nfs/dbraw/zinc/47/64/76/1012476476.db2.gz GXESTBXGQKBRTA-WOJBJXKFSA-N 3 1 357.546 2.521 20 30 FFEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873826 1012476484 /nfs/dbraw/zinc/47/64/84/1012476484.db2.gz GXESTBXGQKBRTA-WOJBJXKFSA-N 2 1 357.546 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873826 1012476493 /nfs/dbraw/zinc/47/64/93/1012476493.db2.gz GXESTBXGQKBRTA-WOJBJXKFSA-N 2 1 357.546 2.521 20 30 FFEDMP COc1cccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000303887975 1012502143 /nfs/dbraw/zinc/50/21/43/1012502143.db2.gz OQEKLDBJUCISHZ-INIZCTEOSA-N 2 1 368.481 2.843 20 30 FFEDMP COc1cccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000303887975 1012502154 /nfs/dbraw/zinc/50/21/54/1012502154.db2.gz OQEKLDBJUCISHZ-INIZCTEOSA-N 2 1 368.481 2.843 20 30 FFEDMP C[N@@H+](CCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431797 1012595950 /nfs/dbraw/zinc/59/59/50/1012595950.db2.gz MVPGZBXSQUMUHN-UHFFFAOYSA-N 2 1 354.498 2.581 20 30 FFEDMP CC(C)[N@@H+](C1CCN(C)CC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433937 1012601280 /nfs/dbraw/zinc/60/12/80/1012601280.db2.gz BFGSJYPYDFHINI-UHFFFAOYSA-N 2 1 368.525 2.967 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059656 1019850419 /nfs/dbraw/zinc/85/04/19/1019850419.db2.gz BDBGWXUHKKCHPJ-RXVVDRJESA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000930059656 1019850437 /nfs/dbraw/zinc/85/04/37/1019850437.db2.gz BDBGWXUHKKCHPJ-RXVVDRJESA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000930059656 1019850444 /nfs/dbraw/zinc/85/04/44/1019850444.db2.gz BDBGWXUHKKCHPJ-RXVVDRJESA-N 2 1 351.494 2.945 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000930059656 1019850459 /nfs/dbraw/zinc/85/04/59/1019850459.db2.gz BDBGWXUHKKCHPJ-RXVVDRJESA-N 2 1 351.494 2.945 20 30 FFEDMP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875094 1021291203 /nfs/dbraw/zinc/29/12/03/1021291203.db2.gz MPRFCININHLIJH-LNLFQRSKSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875094 1021291210 /nfs/dbraw/zinc/29/12/10/1021291210.db2.gz MPRFCININHLIJH-LNLFQRSKSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875094 1021291214 /nfs/dbraw/zinc/29/12/14/1021291214.db2.gz MPRFCININHLIJH-LNLFQRSKSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875094 1021291217 /nfs/dbraw/zinc/29/12/17/1021291217.db2.gz MPRFCININHLIJH-LNLFQRSKSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875094 1021291222 /nfs/dbraw/zinc/29/12/22/1021291222.db2.gz MPRFCININHLIJH-LNLFQRSKSA-N 2 1 353.938 2.973 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001117790263 1021892336 /nfs/dbraw/zinc/89/23/36/1021892336.db2.gz WJQOEJGGCNKOFQ-UHFFFAOYSA-N 2 1 367.468 2.879 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000948384607 1023245750 /nfs/dbraw/zinc/24/57/50/1023245750.db2.gz DEZDICDHDUZKOE-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC000948384607 1023245757 /nfs/dbraw/zinc/24/57/57/1023245757.db2.gz DEZDICDHDUZKOE-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)CC2)CC[NH+]1C ZINC000948384607 1023245762 /nfs/dbraw/zinc/24/57/62/1023245762.db2.gz DEZDICDHDUZKOE-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001122514165 1023314281 /nfs/dbraw/zinc/31/42/81/1023314281.db2.gz OLNBBXOVTPBYAW-OTWHNJEPSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001122514165 1023314284 /nfs/dbraw/zinc/31/42/84/1023314284.db2.gz OLNBBXOVTPBYAW-OTWHNJEPSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001122514165 1023314289 /nfs/dbraw/zinc/31/42/89/1023314289.db2.gz OLNBBXOVTPBYAW-OTWHNJEPSA-N 2 1 374.577 2.830 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363257 1033123519 /nfs/dbraw/zinc/12/35/19/1033123519.db2.gz NOEUMGBMJOKPJA-CEXWTWQISA-N 2 1 363.546 2.517 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001120496806 1023340958 /nfs/dbraw/zinc/34/09/58/1023340958.db2.gz KWZOSBGLJCMLGK-MRXNPFEDSA-N 2 1 370.415 2.522 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001111304048 1023705661 /nfs/dbraw/zinc/70/56/61/1023705661.db2.gz NWUMDJKSMFNKGC-NJYVYQBISA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001111304048 1023705669 /nfs/dbraw/zinc/70/56/69/1023705669.db2.gz NWUMDJKSMFNKGC-NJYVYQBISA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001111304048 1023705676 /nfs/dbraw/zinc/70/56/76/1023705676.db2.gz NWUMDJKSMFNKGC-NJYVYQBISA-N 2 1 371.500 2.631 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001111304048 1023705685 /nfs/dbraw/zinc/70/56/85/1023705685.db2.gz NWUMDJKSMFNKGC-NJYVYQBISA-N 2 1 371.500 2.631 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244578 1024172266 /nfs/dbraw/zinc/17/22/66/1024172266.db2.gz WWHWHRXYMKVTDN-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244578 1024172267 /nfs/dbraw/zinc/17/22/67/1024172267.db2.gz WWHWHRXYMKVTDN-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244578 1024172272 /nfs/dbraw/zinc/17/22/72/1024172272.db2.gz WWHWHRXYMKVTDN-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244578 1024172286 /nfs/dbraw/zinc/17/22/86/1024172286.db2.gz WWHWHRXYMKVTDN-BSIFCXSSSA-N 2 1 371.529 2.537 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111412022 1025302018 /nfs/dbraw/zinc/30/20/18/1025302018.db2.gz YJXPLNZVCHJCNE-WTGUMLROSA-N 2 1 365.562 2.647 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215498 1025596683 /nfs/dbraw/zinc/59/66/83/1025596683.db2.gz QYYMWIAXTHGUJG-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000838623961 1026444012 /nfs/dbraw/zinc/44/40/12/1026444012.db2.gz ZFEFGRCHFWOMQO-TZIWHRDSSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000838623961 1026444016 /nfs/dbraw/zinc/44/40/16/1026444016.db2.gz ZFEFGRCHFWOMQO-TZIWHRDSSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000838623961 1026444018 /nfs/dbraw/zinc/44/40/18/1026444018.db2.gz ZFEFGRCHFWOMQO-TZIWHRDSSA-N 2 1 370.541 2.809 20 30 FFEDMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817173 1027008765 /nfs/dbraw/zinc/00/87/65/1027008765.db2.gz KCNSWIKWNOIIRW-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001103437170 1027480343 /nfs/dbraw/zinc/48/03/43/1027480343.db2.gz MYLMPEWSSGADPF-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001103437170 1027480349 /nfs/dbraw/zinc/48/03/49/1027480349.db2.gz MYLMPEWSSGADPF-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001103437170 1027480358 /nfs/dbraw/zinc/48/03/58/1027480358.db2.gz MYLMPEWSSGADPF-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001103436952 1027482135 /nfs/dbraw/zinc/48/21/35/1027482135.db2.gz CZZSOUHFPUPGGS-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001103436952 1027482142 /nfs/dbraw/zinc/48/21/42/1027482142.db2.gz CZZSOUHFPUPGGS-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP N#Cc1c(Cl)c2ccc(F)cc2nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160517377 1027734227 /nfs/dbraw/zinc/73/42/27/1027734227.db2.gz PNPHXNPRILYZLW-GOSISDBHSA-N 2 1 359.836 2.734 20 30 FFEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001153419102 1027869391 /nfs/dbraw/zinc/86/93/91/1027869391.db2.gz OGGREQLCKODRGK-RLLQIKCJSA-N 2 1 365.562 2.526 20 30 FFEDMP COc1cc(CCC#N)c(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1OC ZINC001164213584 1029206329 /nfs/dbraw/zinc/20/63/29/1029206329.db2.gz XGSGGEAUFGBMSY-UHFFFAOYSA-N 2 1 360.502 2.598 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)C)C3)CC1 ZINC001112004213 1029852207 /nfs/dbraw/zinc/85/22/07/1029852207.db2.gz PQENBXGMWQXVFF-UNMCSNQZSA-N 2 1 359.558 2.739 20 30 FFEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001112442147 1030819546 /nfs/dbraw/zinc/81/95/46/1030819546.db2.gz MIAMMDLGIDFMEN-JXFKEZNVSA-N 2 1 360.502 2.534 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205269917 1031641307 /nfs/dbraw/zinc/64/13/07/1031641307.db2.gz HPOFENZDNDOXMT-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001205409944 1031723336 /nfs/dbraw/zinc/72/33/36/1031723336.db2.gz OVPZSTLKDGFAIZ-GEALJGNFSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456165 1031758916 /nfs/dbraw/zinc/75/89/16/1031758916.db2.gz IVRJSHSSSMTUFN-YZGWKJHDSA-N 2 1 359.489 2.628 20 30 FFEDMP C[NH+](C)CC#CCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001219418902 1033638710 /nfs/dbraw/zinc/63/87/10/1033638710.db2.gz RNYAFQDASXWGLY-UHFFFAOYSA-N 2 1 371.510 2.577 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568337 1034259499 /nfs/dbraw/zinc/25/94/99/1034259499.db2.gz IEKNCJPYFBEWIX-MOPGFXCFSA-N 2 1 355.567 2.630 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568337 1034259511 /nfs/dbraw/zinc/25/95/11/1034259511.db2.gz IEKNCJPYFBEWIX-MOPGFXCFSA-N 2 1 355.567 2.630 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568337 1034259516 /nfs/dbraw/zinc/25/95/16/1034259516.db2.gz IEKNCJPYFBEWIX-MOPGFXCFSA-N 2 1 355.567 2.630 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001226773647 1034830471 /nfs/dbraw/zinc/83/04/71/1034830471.db2.gz HKUGXZFTFSSBHR-AQNXPRMDSA-N 2 1 363.546 2.613 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226774421 1034831005 /nfs/dbraw/zinc/83/10/05/1034831005.db2.gz MGNPDSCMWNFRTL-AQNXPRMDSA-N 2 1 363.546 2.613 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001226890214 1034874827 /nfs/dbraw/zinc/87/48/27/1034874827.db2.gz KYQKAEQXNWFSFC-PWRODBHTSA-N 2 1 368.525 2.950 20 30 FFEDMP c1ccc(C[N@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834977228 1035483473 /nfs/dbraw/zinc/48/34/73/1035483473.db2.gz RKOVODUPOSIRRN-IRLDBZIGSA-N 2 1 370.541 2.729 20 30 FFEDMP c1ccc(C[N@@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834977228 1035483475 /nfs/dbraw/zinc/48/34/75/1035483475.db2.gz RKOVODUPOSIRRN-IRLDBZIGSA-N 2 1 370.541 2.729 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cc(C#N)ccn1)CC2 ZINC001232474994 1035721543 /nfs/dbraw/zinc/72/15/43/1035721543.db2.gz DZSHPCIPULTXEK-LJQANCHMSA-N 2 1 366.465 2.802 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001228207658 1035993171 /nfs/dbraw/zinc/99/31/71/1035993171.db2.gz XOXVVKDGXRGUKG-VXSCBNMQSA-N 2 1 367.537 2.785 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001232843302 1036099837 /nfs/dbraw/zinc/09/98/37/1036099837.db2.gz LOHYIFDNFCJVTH-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001232843302 1036099852 /nfs/dbraw/zinc/09/98/52/1036099852.db2.gz LOHYIFDNFCJVTH-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001232843302 1036099868 /nfs/dbraw/zinc/09/98/68/1036099868.db2.gz LOHYIFDNFCJVTH-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001232843302 1036099889 /nfs/dbraw/zinc/09/98/89/1036099889.db2.gz LOHYIFDNFCJVTH-YLJYHZDGSA-N 2 1 368.506 2.738 20 30 FFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001233081123 1036329858 /nfs/dbraw/zinc/32/98/58/1036329858.db2.gz OYSJJCAWRJBVEO-UHFFFAOYSA-N 2 1 367.497 2.547 20 30 FFEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001233081123 1036329879 /nfs/dbraw/zinc/32/98/79/1036329879.db2.gz OYSJJCAWRJBVEO-UHFFFAOYSA-N 2 1 367.497 2.547 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001229860604 1036943808 /nfs/dbraw/zinc/94/38/08/1036943808.db2.gz XQZRFXVHKLAOAE-RTBURBONSA-N 2 1 360.477 2.556 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706130 1037667426 /nfs/dbraw/zinc/66/74/26/1037667426.db2.gz PBTBQZLGJWKULD-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP N#Cc1ccc(F)cc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278939255 1038528639 /nfs/dbraw/zinc/52/86/39/1038528639.db2.gz JTQBLSBQOQXECP-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP N#Cc1ccc(F)cc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278939255 1038528650 /nfs/dbraw/zinc/52/86/50/1038528650.db2.gz JTQBLSBQOQXECP-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP N#Cc1ccc(F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278939255 1038528660 /nfs/dbraw/zinc/52/86/60/1038528660.db2.gz JTQBLSBQOQXECP-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP C[NH+](C)CCC[NH+]1CCC2(CC1)c1ccccc1N(CCCC#N)C2=O ZINC001276611476 1038651638 /nfs/dbraw/zinc/65/16/38/1038651638.db2.gz VKKNJXBNFCCQGF-UHFFFAOYSA-N 2 1 354.498 2.622 20 30 FFEDMP C=CCCCCC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209424815 1038855081 /nfs/dbraw/zinc/85/50/81/1038855081.db2.gz VFQWBIGKTCDQHO-UHFFFAOYSA-N 2 1 361.534 2.843 20 30 FFEDMP C=CCCCCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209437780 1038866908 /nfs/dbraw/zinc/86/69/08/1038866908.db2.gz UKCISRWFAGOMPQ-UHFFFAOYSA-N 2 1 357.546 2.766 20 30 FFEDMP C=CCCCCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209437780 1038866932 /nfs/dbraw/zinc/86/69/32/1038866932.db2.gz UKCISRWFAGOMPQ-UHFFFAOYSA-N 2 1 357.546 2.766 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727829 1039491923 /nfs/dbraw/zinc/49/19/23/1039491923.db2.gz JLISJZZVNJIRAL-NQIIRXRSSA-N 2 1 373.545 2.816 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727829 1039491931 /nfs/dbraw/zinc/49/19/31/1039491931.db2.gz JLISJZZVNJIRAL-NQIIRXRSSA-N 2 1 373.545 2.816 20 30 FFEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909454 1039576453 /nfs/dbraw/zinc/57/64/53/1039576453.db2.gz DUCJWJDUYBAWTN-HKUYNNGSSA-N 2 1 363.550 2.910 20 30 FFEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001258909454 1039576469 /nfs/dbraw/zinc/57/64/69/1039576469.db2.gz DUCJWJDUYBAWTN-HKUYNNGSSA-N 2 1 363.550 2.910 20 30 FFEDMP N#C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664765 1040865023 /nfs/dbraw/zinc/86/50/23/1040865023.db2.gz JNWKZFCBPUSQCZ-SSTJLMRISA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664765 1040865028 /nfs/dbraw/zinc/86/50/28/1040865028.db2.gz JNWKZFCBPUSQCZ-SSTJLMRISA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001254664765 1040865036 /nfs/dbraw/zinc/86/50/36/1040865036.db2.gz JNWKZFCBPUSQCZ-SSTJLMRISA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001254664765 1040865042 /nfs/dbraw/zinc/86/50/42/1040865042.db2.gz JNWKZFCBPUSQCZ-SSTJLMRISA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001254665904 1040865831 /nfs/dbraw/zinc/86/58/31/1040865831.db2.gz RJLKMYHGAWJGGC-ICSRJNTNSA-N 2 1 354.498 2.688 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001254665767 1040867377 /nfs/dbraw/zinc/86/73/77/1040867377.db2.gz PWAFNVYBFWAKNW-WOJBJXKFSA-N 2 1 354.498 2.688 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001261502512 1041275333 /nfs/dbraw/zinc/27/53/33/1041275333.db2.gz OXLREVODNMTSPH-OAHLLOKOSA-N 2 1 354.458 2.508 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(O)c2)cc1C#N ZINC001279139625 1042915398 /nfs/dbraw/zinc/91/53/98/1042915398.db2.gz LNWIXCRVCIXJPO-YQQQUEKLSA-N 2 1 350.466 2.888 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(O)c2)cc1C#N ZINC001279139625 1042915400 /nfs/dbraw/zinc/91/54/00/1042915400.db2.gz LNWIXCRVCIXJPO-YQQQUEKLSA-N 2 1 350.466 2.888 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001279375657 1043036025 /nfs/dbraw/zinc/03/60/25/1043036025.db2.gz DRJGCVKZOGVKLY-UHFFFAOYSA-N 2 1 354.542 2.992 20 30 FFEDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001279375657 1043036028 /nfs/dbraw/zinc/03/60/28/1043036028.db2.gz DRJGCVKZOGVKLY-UHFFFAOYSA-N 2 1 354.542 2.992 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCCc3cccc(C#N)c3)C[C@H]2CC1 ZINC001278126713 1043289767 /nfs/dbraw/zinc/28/97/67/1043289767.db2.gz CXCFTCYWUPEISV-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCCc3cccc(C#N)c3)C[C@H]2CC1 ZINC001278126713 1043289775 /nfs/dbraw/zinc/28/97/75/1043289775.db2.gz CXCFTCYWUPEISV-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCCc3cccc(C#N)c3)C[C@H]2CC1 ZINC001278126713 1043289785 /nfs/dbraw/zinc/28/97/85/1043289785.db2.gz CXCFTCYWUPEISV-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCCc3cccc(C#N)c3)C[C@H]2CC1 ZINC001278126713 1043289792 /nfs/dbraw/zinc/28/97/92/1043289792.db2.gz CXCFTCYWUPEISV-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCCc3cccc(C#N)c3)C[C@H]2CC1 ZINC001278126713 1043289800 /nfs/dbraw/zinc/28/98/00/1043289800.db2.gz CXCFTCYWUPEISV-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP C=CCCCC[N@@H+]1CCc2onc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001279719894 1043525641 /nfs/dbraw/zinc/52/56/41/1043525641.db2.gz JRBXXHYFGILSPK-UHFFFAOYSA-N 2 1 362.518 2.803 20 30 FFEDMP C=CCCCC[N@H+]1CCc2onc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001279719894 1043525648 /nfs/dbraw/zinc/52/56/48/1043525648.db2.gz JRBXXHYFGILSPK-UHFFFAOYSA-N 2 1 362.518 2.803 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001312790107 1044171037 /nfs/dbraw/zinc/17/10/37/1044171037.db2.gz VGOGKAORQQDBDV-OAQYLSRUSA-N 2 1 370.541 2.638 20 30 FFEDMP CCc1cc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)ccc1C#N ZINC001280217035 1044410542 /nfs/dbraw/zinc/41/05/42/1044410542.db2.gz IGOHOBPUJRJZBI-UHFFFAOYSA-N 2 1 354.542 2.970 20 30 FFEDMP CCc1cc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)ccc1C#N ZINC001280217035 1044410545 /nfs/dbraw/zinc/41/05/45/1044410545.db2.gz IGOHOBPUJRJZBI-UHFFFAOYSA-N 2 1 354.542 2.970 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001316802628 1045031126 /nfs/dbraw/zinc/03/11/26/1045031126.db2.gz MNRMDWDMHPMXGC-BAGYTPMASA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001316802628 1045031136 /nfs/dbraw/zinc/03/11/36/1045031136.db2.gz MNRMDWDMHPMXGC-BAGYTPMASA-N 2 1 367.537 2.691 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001316802628 1045031149 /nfs/dbraw/zinc/03/11/49/1045031149.db2.gz MNRMDWDMHPMXGC-BAGYTPMASA-N 2 1 367.537 2.691 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001322806820 1046232627 /nfs/dbraw/zinc/23/26/27/1046232627.db2.gz NMMGDZYQVOSBGF-UHFFFAOYSA-N 2 1 363.505 2.736 20 30 FFEDMP C=CCO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](OCC=C)C3)c2)C1 ZINC001328001822 1048131512 /nfs/dbraw/zinc/13/15/12/1048131512.db2.gz RMFCWGXFKWQJGG-NHCUHLMSSA-N 2 1 357.498 2.635 20 30 FFEDMP C=CCn1c(CCn2cc[nH+]c2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339081561 1056075635 /nfs/dbraw/zinc/07/56/35/1056075635.db2.gz FRGWHTONZGSRHL-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC001353313105 1056288820 /nfs/dbraw/zinc/28/88/20/1056288820.db2.gz CRBSRSSYIHAUGE-IFMALSPDSA-N 2 1 356.510 2.519 20 30 FFEDMP C=C(C)Cn1c(CN2CCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001355967632 1060769200 /nfs/dbraw/zinc/76/92/00/1060769200.db2.gz LPRTUWZOXYKDKH-SFHVURJKSA-N 2 1 360.550 2.618 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001479425485 1062380106 /nfs/dbraw/zinc/38/01/06/1062380106.db2.gz FEZLZDAZCVALDX-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001479425485 1062380131 /nfs/dbraw/zinc/38/01/31/1062380131.db2.gz FEZLZDAZCVALDX-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)C(C)C ZINC001467660305 1063809837 /nfs/dbraw/zinc/80/98/37/1063809837.db2.gz MVPFEOWUOPGVOS-QUCCMNQESA-N 2 1 362.562 2.811 20 30 FFEDMP C=CCC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001574889250 1078090602 /nfs/dbraw/zinc/09/06/02/1078090602.db2.gz PAZQBFHRRDRZFH-SJORKVTESA-N 2 1 360.550 2.835 20 30 FFEDMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575443596 1078141200 /nfs/dbraw/zinc/14/12/00/1078141200.db2.gz CYNUJKRJFTVNOS-LJQANCHMSA-N 2 1 356.514 2.602 20 30 FFEDMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001575443596 1078141204 /nfs/dbraw/zinc/14/12/04/1078141204.db2.gz CYNUJKRJFTVNOS-LJQANCHMSA-N 2 1 356.514 2.602 20 30 FFEDMP C#C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001560209675 1076247210 /nfs/dbraw/zinc/24/72/10/1076247210.db2.gz UWKNXPKPXSABGA-NRFANRHFSA-N 2 1 353.510 2.563 20 30 FFEDMP C#C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001560209675 1076247215 /nfs/dbraw/zinc/24/72/15/1076247215.db2.gz UWKNXPKPXSABGA-NRFANRHFSA-N 2 1 353.510 2.563 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001562240418 1076484416 /nfs/dbraw/zinc/48/44/16/1076484416.db2.gz IAGMNAXRPFXLBN-NRFANRHFSA-N 2 1 368.525 2.934 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001562240418 1076484419 /nfs/dbraw/zinc/48/44/19/1076484419.db2.gz IAGMNAXRPFXLBN-NRFANRHFSA-N 2 1 368.525 2.934 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001566803654 1076983697 /nfs/dbraw/zinc/98/36/97/1076983697.db2.gz IPXPQNSHRPHJNR-BWUHRYBWSA-N 2 1 355.526 2.923 20 30 FFEDMP COCC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113328745 508260605 /nfs/dbraw/zinc/26/06/05/508260605.db2.gz FIWDIACWQQOHDQ-UHFFFAOYSA-N 2 1 367.497 2.664 20 30 FFEDMP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199285 508298702 /nfs/dbraw/zinc/29/87/02/508298702.db2.gz FLOHFYFOEYGCEM-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199285 508298706 /nfs/dbraw/zinc/29/87/06/508298706.db2.gz FLOHFYFOEYGCEM-CQSZACIVSA-N 2 1 360.527 2.711 20 30 FFEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1C ZINC000123465623 508690949 /nfs/dbraw/zinc/69/09/49/508690949.db2.gz QWZNHSKNEPZBIE-KGLIPLIRSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@H+]1C ZINC000123465623 508690951 /nfs/dbraw/zinc/69/09/51/508690951.db2.gz QWZNHSKNEPZBIE-KGLIPLIRSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465623 508690955 /nfs/dbraw/zinc/69/09/55/508690955.db2.gz QWZNHSKNEPZBIE-KGLIPLIRSA-N 2 1 360.527 2.852 20 30 FFEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[NH+]1C ZINC000123465623 508690960 /nfs/dbraw/zinc/69/09/60/508690960.db2.gz QWZNHSKNEPZBIE-KGLIPLIRSA-N 2 1 360.527 2.852 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@H](O)CCC=C)C2)C1 ZINC000377728497 512422761 /nfs/dbraw/zinc/42/27/61/512422761.db2.gz UQDOOALNXMEQOA-OSBQEZSISA-N 2 1 350.547 2.819 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000150746066 508884271 /nfs/dbraw/zinc/88/42/71/508884271.db2.gz GMIXKEZLSQANIM-NQIIRXRSSA-N 2 1 370.541 2.989 20 30 FFEDMP CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264066363 509313221 /nfs/dbraw/zinc/31/32/21/509313221.db2.gz BJCSNBVOMPZLOE-YJBOKZPZSA-N 2 1 359.518 2.560 20 30 FFEDMP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1)C1CCOCC1 ZINC000174344352 510068907 /nfs/dbraw/zinc/06/89/07/510068907.db2.gz UYJDWFSYYXCRPY-UHFFFAOYSA-N 2 1 369.465 2.931 20 30 FFEDMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1)C1CCOCC1 ZINC000174344352 510068914 /nfs/dbraw/zinc/06/89/14/510068914.db2.gz UYJDWFSYYXCRPY-UHFFFAOYSA-N 2 1 369.465 2.931 20 30 FFEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000245864837 510178192 /nfs/dbraw/zinc/17/81/92/510178192.db2.gz SUSPYXLXHXCDJM-LEWJYISDSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000245864837 510178195 /nfs/dbraw/zinc/17/81/95/510178195.db2.gz SUSPYXLXHXCDJM-LEWJYISDSA-N 2 1 371.525 2.886 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000191499507 510688764 /nfs/dbraw/zinc/68/87/64/510688764.db2.gz ISVTZLQUBMYBJW-KRWDZBQOSA-N 2 1 359.518 2.889 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000191499507 510688772 /nfs/dbraw/zinc/68/87/72/510688772.db2.gz ISVTZLQUBMYBJW-KRWDZBQOSA-N 2 1 359.518 2.889 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000330029405 510903205 /nfs/dbraw/zinc/90/32/05/510903205.db2.gz PXIGATBFVOOWIL-UHFFFAOYSA-N 2 1 358.490 2.648 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287725520 511055943 /nfs/dbraw/zinc/05/59/43/511055943.db2.gz NUVQWZCRNXSEOH-PXNSSMCTSA-N 2 1 356.514 2.599 20 30 FFEDMP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000272989893 511514157 /nfs/dbraw/zinc/51/41/57/511514157.db2.gz SMXKGONMJKXZJJ-FQEVSTJZSA-N 2 1 352.482 2.797 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292879504 511755694 /nfs/dbraw/zinc/75/56/94/511755694.db2.gz DWKYJUMBIVYGCB-NQIIRXRSSA-N 2 1 354.498 2.739 20 30 FFEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328801408 511934293 /nfs/dbraw/zinc/93/42/93/511934293.db2.gz ZHEDCEUKVRFICD-OHWJTAOLSA-N 2 1 360.546 2.723 20 30 FFEDMP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cn2)CC1 ZINC000329579618 512072637 /nfs/dbraw/zinc/07/26/37/512072637.db2.gz PMHVZQFDHDPUCZ-CALCHBBNSA-N 2 1 359.518 2.553 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540453 513819438 /nfs/dbraw/zinc/81/94/38/513819438.db2.gz WWEACOMQLHZQEJ-RXVVDRJESA-N 2 1 368.525 2.885 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462036908 514843232 /nfs/dbraw/zinc/84/32/32/514843232.db2.gz HUVUYDHMNZZKFY-PXNSSMCTSA-N 2 1 356.514 2.536 20 30 FFEDMP C=CCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000505789402 515672670 /nfs/dbraw/zinc/67/26/70/515672670.db2.gz KZBUOSCCOLMYRS-LJQANCHMSA-N 2 1 359.514 2.740 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528353733 516371843 /nfs/dbraw/zinc/37/18/43/516371843.db2.gz JFVOAWOHFJTYDW-FQEVSTJZSA-N 2 1 359.514 2.742 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789792 516579180 /nfs/dbraw/zinc/57/91/80/516579180.db2.gz DYZWMHFBMDNHLY-RBUKOAKNSA-N 2 1 350.551 2.668 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531720603 516610783 /nfs/dbraw/zinc/61/07/83/516610783.db2.gz YHOTZZBIOUMVRP-HNNXBMFYSA-N 2 1 360.458 2.942 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1)CC(C)C ZINC000552993874 517469184 /nfs/dbraw/zinc/46/91/84/517469184.db2.gz WUNCDYKHMBUATB-SFHVURJKSA-N 2 1 350.551 2.827 20 30 FFEDMP C=CCN(CC=C)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000557529960 518058657 /nfs/dbraw/zinc/05/86/57/518058657.db2.gz NUMDCMDOHXOKSS-SFTDATJTSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000557529960 518058661 /nfs/dbraw/zinc/05/86/61/518058661.db2.gz NUMDCMDOHXOKSS-SFTDATJTSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000557529960 518058668 /nfs/dbraw/zinc/05/86/68/518058668.db2.gz NUMDCMDOHXOKSS-SFTDATJTSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000557529960 518058673 /nfs/dbraw/zinc/05/86/73/518058673.db2.gz NUMDCMDOHXOKSS-SFTDATJTSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000557529960 518058680 /nfs/dbraw/zinc/05/86/80/518058680.db2.gz NUMDCMDOHXOKSS-SFTDATJTSA-N 2 1 353.510 2.641 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000576491338 518619392 /nfs/dbraw/zinc/61/93/92/518619392.db2.gz YDESUVLNQSCWNU-FUHWJXTLSA-N 2 1 367.497 2.817 20 30 FFEDMP C(#CC[N@H+]1CCC[C@]2(CCCOC2)C1)C[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000565613629 519043586 /nfs/dbraw/zinc/04/35/86/519043586.db2.gz VXNVKSZUWTZEOX-SZPZYZBQSA-N 2 1 360.542 2.775 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000565613629 519043593 /nfs/dbraw/zinc/04/35/93/519043593.db2.gz VXNVKSZUWTZEOX-SZPZYZBQSA-N 2 1 360.542 2.775 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000565613629 519043604 /nfs/dbraw/zinc/04/36/04/519043604.db2.gz VXNVKSZUWTZEOX-SZPZYZBQSA-N 2 1 360.542 2.775 20 30 FFEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000592753035 520558400 /nfs/dbraw/zinc/55/84/00/520558400.db2.gz SCQYLVPOYKXPCF-QGZVFWFLSA-N 2 1 367.497 2.859 20 30 FFEDMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000604461158 520568104 /nfs/dbraw/zinc/56/81/04/520568104.db2.gz UCXCYDYKZIXSMZ-SFHVURJKSA-N 2 1 371.529 2.506 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC000599277567 521125683 /nfs/dbraw/zinc/12/56/83/521125683.db2.gz NQTOPOZMBSCKLA-PMACEKPBSA-N 2 1 363.546 2.502 20 30 FFEDMP C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302695 521137773 /nfs/dbraw/zinc/13/77/73/521137773.db2.gz JCZOHTIORUUIGO-LEWJYISDSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302695 521137785 /nfs/dbraw/zinc/13/77/85/521137785.db2.gz JCZOHTIORUUIGO-LEWJYISDSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302695 521137792 /nfs/dbraw/zinc/13/77/92/521137792.db2.gz JCZOHTIORUUIGO-LEWJYISDSA-N 2 1 371.525 2.512 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602540591 521402740 /nfs/dbraw/zinc/40/27/40/521402740.db2.gz QWNDFXKLTHWAIR-UHFFFAOYSA-N 2 1 359.474 2.589 20 30 FFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597025494 521455444 /nfs/dbraw/zinc/45/54/44/521455444.db2.gz DPJVZOTZYHUSCZ-OAQYLSRUSA-N 2 1 352.526 2.842 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330312809 568233929 /nfs/dbraw/zinc/23/39/29/568233929.db2.gz WSZCZNDXECRWRZ-RBSFLKMASA-N 2 1 372.517 2.894 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000823878027 608508304 /nfs/dbraw/zinc/50/83/04/608508304.db2.gz MNVLWGJGAHSOED-IBGZPJMESA-N 2 1 352.486 2.874 20 30 FFEDMP [NH2+]=C(NCCc1cccs1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303863203 729734917 /nfs/dbraw/zinc/73/49/17/729734917.db2.gz ABGDWTWUSBXWOF-SFHVURJKSA-N 2 1 356.539 2.760 20 30 FFEDMP CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000303888906 729735590 /nfs/dbraw/zinc/73/55/90/729735590.db2.gz LQFQDFWCMQQVGD-IAGOWNOFSA-N 2 1 351.564 2.520 20 30 FFEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304495736 729736798 /nfs/dbraw/zinc/73/67/98/729736798.db2.gz NLXZQACXRFJUCC-CQSZACIVSA-N 2 1 358.408 2.721 20 30 FFEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158056 742078288 /nfs/dbraw/zinc/07/82/88/742078288.db2.gz OXCDCLPITPLJGJ-DLBZAZTESA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158056 742078291 /nfs/dbraw/zinc/07/82/91/742078291.db2.gz OXCDCLPITPLJGJ-DLBZAZTESA-N 2 1 353.938 2.830 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180991836 970878032 /nfs/dbraw/zinc/87/80/32/970878032.db2.gz WXMVQDSDOIWTQD-UTKZUKDTSA-N 2 1 365.477 2.834 20 30 FFEDMP CCCCCCC/C=C/C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275840506 1013070230 /nfs/dbraw/zinc/07/02/30/1013070230.db2.gz MMYCOPGDLICNPE-ZJVMWOEPSA-N 2 1 365.562 2.768 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001075420040 963827050 /nfs/dbraw/zinc/82/70/50/963827050.db2.gz KWMWDGLGNGWMBQ-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001075420040 963827052 /nfs/dbraw/zinc/82/70/52/963827052.db2.gz KWMWDGLGNGWMBQ-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001075420040 963827058 /nfs/dbraw/zinc/82/70/58/963827058.db2.gz KWMWDGLGNGWMBQ-MISYRCLQSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087465750 964381730 /nfs/dbraw/zinc/38/17/30/964381730.db2.gz HEGAKCAJJKEUIO-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087201253 966196065 /nfs/dbraw/zinc/19/60/65/966196065.db2.gz IINHJNAASIAACF-QMMLZNLJSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2CC)CC[NH+]1C ZINC001087578933 968234918 /nfs/dbraw/zinc/23/49/18/968234918.db2.gz XOHGYZSSPSAXCZ-UWHLTILDSA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167619 968973350 /nfs/dbraw/zinc/97/33/50/968973350.db2.gz VOEMEIZYZDZAFD-CHWSQXEVSA-N 2 1 369.859 2.696 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167619 968973354 /nfs/dbraw/zinc/97/33/54/968973354.db2.gz VOEMEIZYZDZAFD-CHWSQXEVSA-N 2 1 369.859 2.696 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104676510 970084585 /nfs/dbraw/zinc/08/45/85/970084585.db2.gz NJCNKFPVFHIOHD-LVCYWYKZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104676761 970086277 /nfs/dbraw/zinc/08/62/77/970086277.db2.gz WYMWHZMJOLYHLE-RZUBCFFCSA-N 2 1 367.537 2.597 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C)[C@@H]2CC)CC1 ZINC001087840231 970522015 /nfs/dbraw/zinc/52/20/15/970522015.db2.gz NATDPAHNHOJUQQ-FCHUYYIVSA-N 2 1 367.537 2.809 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106852 972825558 /nfs/dbraw/zinc/82/55/58/972825558.db2.gz UQOXDJKDSLOWLX-LQWHRVPQSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106852 972825574 /nfs/dbraw/zinc/82/55/74/972825574.db2.gz UQOXDJKDSLOWLX-LQWHRVPQSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106852 972825587 /nfs/dbraw/zinc/82/55/87/972825587.db2.gz UQOXDJKDSLOWLX-LQWHRVPQSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000662087987 975169851 /nfs/dbraw/zinc/16/98/51/975169851.db2.gz RYEOKZHGQDKGOR-PMXSJFBMSA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662087987 975169852 /nfs/dbraw/zinc/16/98/52/975169852.db2.gz RYEOKZHGQDKGOR-PMXSJFBMSA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662087987 975169856 /nfs/dbraw/zinc/16/98/56/975169856.db2.gz RYEOKZHGQDKGOR-PMXSJFBMSA-N 2 1 353.510 2.949 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001087428562 975696775 /nfs/dbraw/zinc/69/67/75/975696775.db2.gz MAGCREWJUJQYEG-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001087428562 975696780 /nfs/dbraw/zinc/69/67/80/975696780.db2.gz MAGCREWJUJQYEG-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001087428562 975696790 /nfs/dbraw/zinc/69/67/90/975696790.db2.gz MAGCREWJUJQYEG-CIAFKFPVSA-N 2 1 367.537 2.714 20 30 FFEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261606037 977354633 /nfs/dbraw/zinc/35/46/33/977354633.db2.gz DKMJJPHZFXDIJF-QFHJOOASSA-N 2 1 372.513 2.539 20 30 FFEDMP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCc2ccccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000261659604 977441514 /nfs/dbraw/zinc/44/15/14/977441514.db2.gz ANHZBTQYALWADX-PGRDOPGGSA-N 2 1 370.541 2.511 20 30 FFEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCc2ccccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000261659604 977441520 /nfs/dbraw/zinc/44/15/20/977441520.db2.gz ANHZBTQYALWADX-PGRDOPGGSA-N 2 1 370.541 2.511 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001087442714 977533178 /nfs/dbraw/zinc/53/31/78/977533178.db2.gz WRERLUBEXPBJBH-UYAOXDASSA-N 2 1 352.482 2.811 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087459685 977981344 /nfs/dbraw/zinc/98/13/44/977981344.db2.gz RHSFVWFLIQWGCC-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087459685 977981351 /nfs/dbraw/zinc/98/13/51/977981351.db2.gz RHSFVWFLIQWGCC-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087459685 977981357 /nfs/dbraw/zinc/98/13/57/977981357.db2.gz RHSFVWFLIQWGCC-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087462818 978129893 /nfs/dbraw/zinc/12/98/93/978129893.db2.gz BBFVAYJCKSKNEI-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087462818 978129898 /nfs/dbraw/zinc/12/98/98/978129898.db2.gz BBFVAYJCKSKNEI-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087462818 978129901 /nfs/dbraw/zinc/12/99/01/978129901.db2.gz BBFVAYJCKSKNEI-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC001076097522 979112482 /nfs/dbraw/zinc/11/24/82/979112482.db2.gz MZUPDLLRZVKQOJ-AZUAARDMSA-N 2 1 350.466 2.985 20 30 FFEDMP C=CCc1cc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc(OC)c1O ZINC000877664993 1014666430 /nfs/dbraw/zinc/66/64/30/1014666430.db2.gz BESAJYVNIDJGPP-UHFFFAOYSA-N 2 1 362.514 2.920 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126206868 981187383 /nfs/dbraw/zinc/18/73/83/981187383.db2.gz DGIXCBOAHWMPPS-XLIONFOSSA-N 2 1 360.546 2.685 20 30 FFEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539692 982397701 /nfs/dbraw/zinc/39/77/01/982397701.db2.gz NKWDSQKHRWOMQH-ZCNNSNEGSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)c(OC)c1 ZINC000164377557 984352910 /nfs/dbraw/zinc/35/29/10/984352910.db2.gz QKUNTWQIDZULSS-HXUWFJFHSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(O)c(OC)c1 ZINC000164377557 984352916 /nfs/dbraw/zinc/35/29/16/984352916.db2.gz QKUNTWQIDZULSS-HXUWFJFHSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1OC ZINC000922388394 988533054 /nfs/dbraw/zinc/53/30/54/988533054.db2.gz PLGQMEKKDRUPHU-UBBRYJJRSA-N 2 1 374.525 2.829 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684679 988630611 /nfs/dbraw/zinc/63/06/11/988630611.db2.gz LXVAYZNQOSKZGL-WLRLJWMZSA-N 2 1 355.526 2.592 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000763334303 989694771 /nfs/dbraw/zinc/69/47/71/989694771.db2.gz JUALWAMPKRBQGZ-UWJYYQICSA-N 2 1 373.541 2.587 20 30 FFEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000920281628 990826921 /nfs/dbraw/zinc/82/69/21/990826921.db2.gz GBYFTAXLLDNACS-APWZRJJASA-N 2 1 374.554 2.528 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154501 991855443 /nfs/dbraw/zinc/85/54/43/991855443.db2.gz GXUOLTYXDXBENW-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cccc(F)c1 ZINC001079185348 991894705 /nfs/dbraw/zinc/89/47/05/991894705.db2.gz LHVYDPUTASZVMI-VNTMZGSJSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1F ZINC001079321742 991997553 /nfs/dbraw/zinc/99/75/53/991997553.db2.gz AGOSRKDAICQOQW-SXLOBPIMSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698283 992335359 /nfs/dbraw/zinc/33/53/59/992335359.db2.gz UCYDBRFYKIEPDZ-YLJYHZDGSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084957873 998353784 /nfs/dbraw/zinc/35/37/84/998353784.db2.gz BOOJUIAGLFUKME-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084957873 998353787 /nfs/dbraw/zinc/35/37/87/998353787.db2.gz BOOJUIAGLFUKME-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957873 998353794 /nfs/dbraw/zinc/35/37/94/998353794.db2.gz BOOJUIAGLFUKME-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957873 998353801 /nfs/dbraw/zinc/35/38/01/998353801.db2.gz BOOJUIAGLFUKME-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040087 998749166 /nfs/dbraw/zinc/74/91/66/998749166.db2.gz KNEBCEDYNYKJSW-CZYKHXBRSA-N 2 1 367.537 2.831 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040087 998749167 /nfs/dbraw/zinc/74/91/67/998749167.db2.gz KNEBCEDYNYKJSW-CZYKHXBRSA-N 2 1 367.537 2.831 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040087 998749171 /nfs/dbraw/zinc/74/91/71/998749171.db2.gz KNEBCEDYNYKJSW-CZYKHXBRSA-N 2 1 367.537 2.831 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101580 998947438 /nfs/dbraw/zinc/94/74/38/998947438.db2.gz RYDJSERUCAFJFG-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101580 998947442 /nfs/dbraw/zinc/94/74/42/998947442.db2.gz RYDJSERUCAFJFG-FGTMMUONSA-N 2 1 353.938 2.782 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001085203535 999156880 /nfs/dbraw/zinc/15/68/80/999156880.db2.gz OPFIODGAYVLWNW-WJFTUGDTSA-N 2 1 374.554 2.867 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001169264399 1000032936 /nfs/dbraw/zinc/03/29/36/1000032936.db2.gz NFULBARLRZBADK-UHFFFAOYSA-N 2 1 355.486 2.628 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469973 1000524701 /nfs/dbraw/zinc/52/47/01/1000524701.db2.gz PMPQPMYGAYRUDW-LMCOJAPRSA-N 2 1 356.514 2.984 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110013569 1001302172 /nfs/dbraw/zinc/30/21/72/1001302172.db2.gz PREYDQJSUVMOFI-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110013569 1001302176 /nfs/dbraw/zinc/30/21/76/1001302176.db2.gz PREYDQJSUVMOFI-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110013569 1001302179 /nfs/dbraw/zinc/30/21/79/1001302179.db2.gz PREYDQJSUVMOFI-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001112590152 1001560181 /nfs/dbraw/zinc/56/01/81/1001560181.db2.gz GTKGOSORKBHIAO-UNMCSNQZSA-N 2 1 355.526 2.913 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001112590152 1001560184 /nfs/dbraw/zinc/56/01/84/1001560184.db2.gz GTKGOSORKBHIAO-UNMCSNQZSA-N 2 1 355.526 2.913 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086591764 1002534209 /nfs/dbraw/zinc/53/42/09/1002534209.db2.gz DZSYTFOQOZIVLN-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086591764 1002534221 /nfs/dbraw/zinc/53/42/21/1002534221.db2.gz DZSYTFOQOZIVLN-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086591764 1002534231 /nfs/dbraw/zinc/53/42/31/1002534231.db2.gz DZSYTFOQOZIVLN-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605879 1002926629 /nfs/dbraw/zinc/92/66/29/1002926629.db2.gz ZZLGZWZDTQCNIG-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001086605879 1002926638 /nfs/dbraw/zinc/92/66/38/1002926638.db2.gz ZZLGZWZDTQCNIG-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001086605879 1002926644 /nfs/dbraw/zinc/92/66/44/1002926644.db2.gz ZZLGZWZDTQCNIG-FDFHNCONSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001086613536 1003366216 /nfs/dbraw/zinc/36/62/16/1003366216.db2.gz YSBPQBKWFFWPLA-ILWGZMRPSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001086613536 1003366225 /nfs/dbraw/zinc/36/62/25/1003366225.db2.gz YSBPQBKWFFWPLA-ILWGZMRPSA-N 2 1 367.537 2.858 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001489303892 1005454016 /nfs/dbraw/zinc/45/40/16/1005454016.db2.gz KPWDLBRNSBXYLX-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001489303892 1005454018 /nfs/dbraw/zinc/45/40/18/1005454018.db2.gz KPWDLBRNSBXYLX-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC1 ZINC001097975877 1017028612 /nfs/dbraw/zinc/02/86/12/1017028612.db2.gz HVBINTNWCRMYRC-LZQZEXGQSA-N 2 1 372.538 2.573 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC1 ZINC001097975877 1017028620 /nfs/dbraw/zinc/02/86/20/1017028620.db2.gz HVBINTNWCRMYRC-LZQZEXGQSA-N 2 1 372.538 2.573 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110684806 1006811975 /nfs/dbraw/zinc/81/19/75/1006811975.db2.gz ZJWNSTDYIKZNCC-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110684806 1006811988 /nfs/dbraw/zinc/81/19/88/1006811988.db2.gz ZJWNSTDYIKZNCC-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110684806 1006812001 /nfs/dbraw/zinc/81/20/01/1006812001.db2.gz ZJWNSTDYIKZNCC-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000859212745 1008488341 /nfs/dbraw/zinc/48/83/41/1008488341.db2.gz OBZQEQOVHCLGJP-OAQYLSRUSA-N 2 1 367.493 2.686 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)CC1 ZINC000862689965 1009933903 /nfs/dbraw/zinc/93/39/03/1009933903.db2.gz GVRLXHJKDWREIC-JOCHJYFZSA-N 2 1 367.537 2.701 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093805890 1010582086 /nfs/dbraw/zinc/58/20/86/1010582086.db2.gz LZCSDESZRFRWSJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)cc1 ZINC001110153097 1010858455 /nfs/dbraw/zinc/85/84/55/1010858455.db2.gz MDTVWMAXPFUNIE-HKBOAZHASA-N 2 1 366.509 2.656 20 30 FFEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cccc(C#N)c1)CC2 ZINC001094380832 1011086688 /nfs/dbraw/zinc/08/66/88/1011086688.db2.gz XWMQICVYSRZOSK-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001094380832 1011086695 /nfs/dbraw/zinc/08/66/95/1011086695.db2.gz XWMQICVYSRZOSK-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001094380832 1011086703 /nfs/dbraw/zinc/08/67/03/1011086703.db2.gz XWMQICVYSRZOSK-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094459338 1011148258 /nfs/dbraw/zinc/14/82/58/1011148258.db2.gz JPHITHJNOIQQBD-SJLPKXTDSA-N 2 1 351.922 2.728 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509780 1011179144 /nfs/dbraw/zinc/17/91/44/1011179144.db2.gz LSZZODBMBPBPAP-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CCC[C@@H]12 ZINC001094509780 1011179147 /nfs/dbraw/zinc/17/91/47/1011179147.db2.gz LSZZODBMBPBPAP-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000303768552 1012425939 /nfs/dbraw/zinc/42/59/39/1012425939.db2.gz AJTPRDHWPDXTQO-UHFFFAOYSA-N 2 1 370.497 2.630 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303873824 1012476328 /nfs/dbraw/zinc/47/63/28/1012476328.db2.gz GXESTBXGQKBRTA-VQTJNVASSA-N 3 1 357.546 2.521 20 30 FFEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873824 1012476335 /nfs/dbraw/zinc/47/63/35/1012476335.db2.gz GXESTBXGQKBRTA-VQTJNVASSA-N 2 1 357.546 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873824 1012476347 /nfs/dbraw/zinc/47/63/47/1012476347.db2.gz GXESTBXGQKBRTA-VQTJNVASSA-N 2 1 357.546 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H]1CCCc2ccccc21 ZINC000304761331 1012870383 /nfs/dbraw/zinc/87/03/83/1012870383.db2.gz UHGJBSKKMPRMLX-QUCCMNQESA-N 2 1 358.530 2.859 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCCC)C[C@H]32)CC1 ZINC001222046428 1032697748 /nfs/dbraw/zinc/69/77/48/1032697748.db2.gz CKWUZNCWDKSMIV-NHCUHLMSSA-N 2 1 359.558 2.835 20 30 FFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893691 1018317135 /nfs/dbraw/zinc/31/71/35/1018317135.db2.gz JBAAKZXFGOOTES-ADAARDCZSA-N 2 1 353.510 2.629 20 30 FFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893691 1018317141 /nfs/dbraw/zinc/31/71/41/1018317141.db2.gz JBAAKZXFGOOTES-ADAARDCZSA-N 2 1 353.510 2.629 20 30 FFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893691 1018317151 /nfs/dbraw/zinc/31/71/51/1018317151.db2.gz JBAAKZXFGOOTES-ADAARDCZSA-N 2 1 353.510 2.629 20 30 FFEDMP N#Cc1ccc(NCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc1 ZINC000927164428 1018387472 /nfs/dbraw/zinc/38/74/72/1018387472.db2.gz JMYLLXLUNASJTI-UHFFFAOYSA-N 2 1 367.472 2.801 20 30 FFEDMP C=CCC[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001048627824 1020379579 /nfs/dbraw/zinc/37/95/79/1020379579.db2.gz PWTMNNVKOMSQOS-WIYYLYMNSA-N 2 1 370.541 2.791 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001017134755 1022167006 /nfs/dbraw/zinc/16/70/06/1022167006.db2.gz YOAFTGPABFDIFU-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001017134755 1022167011 /nfs/dbraw/zinc/16/70/11/1022167011.db2.gz YOAFTGPABFDIFU-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001017134755 1022167018 /nfs/dbraw/zinc/16/70/18/1022167018.db2.gz YOAFTGPABFDIFU-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC001120496608 1023341213 /nfs/dbraw/zinc/34/12/13/1023341213.db2.gz FPXAZFPBGZMAME-INIZCTEOSA-N 2 1 371.308 2.810 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001122631533 1023380049 /nfs/dbraw/zinc/38/00/49/1023380049.db2.gz UQAIOFFTZCLNHJ-KSZLIROESA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001122631533 1023380053 /nfs/dbraw/zinc/38/00/53/1023380053.db2.gz UQAIOFFTZCLNHJ-KSZLIROESA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001122631533 1023380055 /nfs/dbraw/zinc/38/00/55/1023380055.db2.gz UQAIOFFTZCLNHJ-KSZLIROESA-N 2 1 360.550 2.582 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000754739925 1023510839 /nfs/dbraw/zinc/51/08/39/1023510839.db2.gz GVENMCGSGZVZCT-YZGWKJHDSA-N 2 1 360.498 2.813 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396700 1024627415 /nfs/dbraw/zinc/62/74/15/1024627415.db2.gz GIGDLJAXCVAJNF-AOIWGVFYSA-N 2 1 355.954 2.886 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396700 1024627427 /nfs/dbraw/zinc/62/74/27/1024627427.db2.gz GIGDLJAXCVAJNF-AOIWGVFYSA-N 2 1 355.954 2.886 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000245556273 1025455004 /nfs/dbraw/zinc/45/50/04/1025455004.db2.gz IZJSJOHHQCXGPX-SLFFLAALSA-N 2 1 370.541 2.968 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372357 1025833958 /nfs/dbraw/zinc/83/39/58/1025833958.db2.gz FBBSWJPUGVUHLL-DDUZABMNSA-N 2 1 359.917 2.636 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372357 1025833980 /nfs/dbraw/zinc/83/39/80/1025833980.db2.gz FBBSWJPUGVUHLL-DDUZABMNSA-N 2 1 359.917 2.636 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372357 1025833998 /nfs/dbraw/zinc/83/39/98/1025833998.db2.gz FBBSWJPUGVUHLL-DDUZABMNSA-N 2 1 359.917 2.636 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001102596647 1026391639 /nfs/dbraw/zinc/39/16/39/1026391639.db2.gz QZUKCEMTTAUBEG-QKNQBKEWSA-N 2 1 361.574 2.698 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083784 1026944714 /nfs/dbraw/zinc/94/47/14/1026944714.db2.gz JAQPPZUQZZBQMD-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103089899 1026951179 /nfs/dbraw/zinc/95/11/79/1026951179.db2.gz FPIKEBNMLGEBOR-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103089899 1026951184 /nfs/dbraw/zinc/95/11/84/1026951184.db2.gz FPIKEBNMLGEBOR-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103089899 1026951189 /nfs/dbraw/zinc/95/11/89/1026951189.db2.gz FPIKEBNMLGEBOR-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001103099238 1026962563 /nfs/dbraw/zinc/96/25/63/1026962563.db2.gz GASOBOFDVGZMOH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001103099238 1026962567 /nfs/dbraw/zinc/96/25/67/1026962567.db2.gz GASOBOFDVGZMOH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001103099238 1026962571 /nfs/dbraw/zinc/96/25/71/1026962571.db2.gz GASOBOFDVGZMOH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001103099238 1026962573 /nfs/dbraw/zinc/96/25/73/1026962573.db2.gz GASOBOFDVGZMOH-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359014 1027303475 /nfs/dbraw/zinc/30/34/75/1027303475.db2.gz CWXDYIPFPFXADB-NXHRZFHOSA-N 2 1 355.954 2.935 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359014 1027303496 /nfs/dbraw/zinc/30/34/96/1027303496.db2.gz CWXDYIPFPFXADB-NXHRZFHOSA-N 2 1 355.954 2.935 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359014 1027303511 /nfs/dbraw/zinc/30/35/11/1027303511.db2.gz CWXDYIPFPFXADB-NXHRZFHOSA-N 2 1 355.954 2.935 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436264 1027480803 /nfs/dbraw/zinc/48/08/03/1027480803.db2.gz QNCMGYXJOKZFTR-NZSAHSFTSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436264 1027480812 /nfs/dbraw/zinc/48/08/12/1027480812.db2.gz QNCMGYXJOKZFTR-NZSAHSFTSA-N 2 1 358.530 2.794 20 30 FFEDMP CCCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466192 1027717830 /nfs/dbraw/zinc/71/78/30/1027717830.db2.gz CLOHPIOMTIUAPW-UYAOXDASSA-N 2 1 365.562 2.814 20 30 FFEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466192 1027717842 /nfs/dbraw/zinc/71/78/42/1027717842.db2.gz CLOHPIOMTIUAPW-UYAOXDASSA-N 2 1 365.562 2.814 20 30 FFEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466192 1027717861 /nfs/dbraw/zinc/71/78/61/1027717861.db2.gz CLOHPIOMTIUAPW-UYAOXDASSA-N 2 1 365.562 2.814 20 30 FFEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466192 1027717877 /nfs/dbraw/zinc/71/78/77/1027717877.db2.gz CLOHPIOMTIUAPW-UYAOXDASSA-N 2 1 365.562 2.814 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584258 1027727410 /nfs/dbraw/zinc/72/74/10/1027727410.db2.gz KEDHYFUDWROYFS-CEXWTWQISA-N 2 1 365.562 2.526 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001103751921 1028138360 /nfs/dbraw/zinc/13/83/60/1028138360.db2.gz ZFKGFGINWUFMAA-UYAOXDASSA-N 2 1 361.574 2.842 20 30 FFEDMP Cc1ccc2nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c(C#N)c(Cl)c2c1 ZINC001155391254 1028717365 /nfs/dbraw/zinc/71/73/65/1028717365.db2.gz MWKMWQOOQLBVSG-HNNXBMFYSA-N 2 1 369.900 2.928 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111786777 1029445117 /nfs/dbraw/zinc/44/51/17/1029445117.db2.gz KPJSWXULAWLQBU-HDAAZOAOSA-N 2 1 365.562 2.647 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111786777 1029445122 /nfs/dbraw/zinc/44/51/22/1029445122.db2.gz KPJSWXULAWLQBU-HDAAZOAOSA-N 2 1 365.562 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001111786777 1029445127 /nfs/dbraw/zinc/44/51/27/1029445127.db2.gz KPJSWXULAWLQBU-HDAAZOAOSA-N 2 1 365.562 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001111786777 1029445133 /nfs/dbraw/zinc/44/51/33/1029445133.db2.gz KPJSWXULAWLQBU-HDAAZOAOSA-N 2 1 365.562 2.647 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111904937 1029708330 /nfs/dbraw/zinc/70/83/30/1029708330.db2.gz TUAAJVZPNJIJLE-FPOVZHCZSA-N 2 1 365.562 2.672 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213460 1030256074 /nfs/dbraw/zinc/25/60/74/1030256074.db2.gz LMNYRPDGMVKSBW-OAGGEKHMSA-N 2 1 361.452 2.806 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@H]3CCC[N@H+]3C)[nH]n1)C2 ZINC001112360920 1030656070 /nfs/dbraw/zinc/65/60/70/1030656070.db2.gz RYOVRPPQYUKKJW-SCWSEQNSSA-N 2 1 371.529 2.584 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@H]3CCC[N@@H+]3C)[nH]n1)C2 ZINC001112360920 1030656072 /nfs/dbraw/zinc/65/60/72/1030656072.db2.gz RYOVRPPQYUKKJW-SCWSEQNSSA-N 2 1 371.529 2.584 20 30 FFEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)C1 ZINC001205001709 1031485114 /nfs/dbraw/zinc/48/51/14/1031485114.db2.gz XDIAZSXNMNWJLM-JOCHJYFZSA-N 2 1 369.509 2.943 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001205625869 1031883669 /nfs/dbraw/zinc/88/36/69/1031883669.db2.gz SHQVSNCNXBLFPM-SLYNCCJLSA-N 2 1 371.500 2.607 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028745 1034914284 /nfs/dbraw/zinc/91/42/84/1034914284.db2.gz LELPYYJJIVASSP-NCXUSEDFSA-N 2 1 353.551 2.693 20 30 FFEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028745 1034914291 /nfs/dbraw/zinc/91/42/91/1034914291.db2.gz LELPYYJJIVASSP-NCXUSEDFSA-N 2 1 353.551 2.693 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001277840962 1036968692 /nfs/dbraw/zinc/96/86/92/1036968692.db2.gz NJHDUWCXWIQMQV-TZIWHRDSSA-N 2 1 365.562 2.502 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001232147409 1038197814 /nfs/dbraw/zinc/19/78/14/1038197814.db2.gz IEDONITWEOOEGH-NRFANRHFSA-N 2 1 359.489 2.888 20 30 FFEDMP N#Cc1cccc(N2C[C@@]3(CC[N@@H+](C4CC[NH+](C5CC5)CC4)C3)CC2=O)c1 ZINC001256079011 1038365655 /nfs/dbraw/zinc/36/56/55/1038365655.db2.gz UWABSPVUWVBLIM-QFIPXVFZSA-N 2 1 364.493 2.614 20 30 FFEDMP N#Cc1cccc(N2C[C@@]3(CC[N@H+](C4CC[NH+](C5CC5)CC4)C3)CC2=O)c1 ZINC001256079011 1038365669 /nfs/dbraw/zinc/36/56/69/1038365669.db2.gz UWABSPVUWVBLIM-QFIPXVFZSA-N 2 1 364.493 2.614 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)[NH+](CC)CC ZINC001208571268 1038418769 /nfs/dbraw/zinc/41/87/69/1038418769.db2.gz KIOARCCZOBSUCU-AHRSYUTCSA-N 2 1 356.514 2.615 20 30 FFEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858539 1038636726 /nfs/dbraw/zinc/63/67/26/1038636726.db2.gz HZLXCGLPYSGEAB-RTWAWAEBSA-N 2 1 357.498 2.877 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246027079 1039199113 /nfs/dbraw/zinc/19/91/13/1039199113.db2.gz HFRPMXTZQRLETA-RTBURBONSA-N 2 1 366.546 2.881 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246302100 1039305127 /nfs/dbraw/zinc/30/51/27/1039305127.db2.gz AJASEVQZSCWBEW-QAPCUYQASA-N 2 1 352.425 2.639 20 30 FFEDMP CCCCCCC[C@@H](CC(C)C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923604 1039533513 /nfs/dbraw/zinc/53/35/13/1039533513.db2.gz CSQILXNERBWWDO-IBGZPJMESA-N 3 1 356.599 2.877 20 30 FFEDMP CCCCCCC[C@@H](CC(C)C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923604 1039533518 /nfs/dbraw/zinc/53/35/18/1039533518.db2.gz CSQILXNERBWWDO-IBGZPJMESA-N 2 1 356.599 2.877 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001252595314 1039606035 /nfs/dbraw/zinc/60/60/35/1039606035.db2.gz GLIKTMYOTKCJPU-HXUWFJFHSA-N 2 1 374.525 2.689 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001252595314 1039606039 /nfs/dbraw/zinc/60/60/39/1039606039.db2.gz GLIKTMYOTKCJPU-HXUWFJFHSA-N 2 1 374.525 2.689 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254571655 1040808909 /nfs/dbraw/zinc/80/89/09/1040808909.db2.gz ZXCKKOHSTXDTGZ-IBGZPJMESA-N 2 1 372.513 2.817 20 30 FFEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001254665905 1040866712 /nfs/dbraw/zinc/86/67/12/1040866712.db2.gz RJLKMYHGAWJGGC-QUCCMNQESA-N 2 1 354.498 2.688 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2O)cc1C#N ZINC001278550959 1041110143 /nfs/dbraw/zinc/11/01/43/1041110143.db2.gz AQWOQPOAKFEZBK-YQQQUEKLSA-N 2 1 350.466 2.888 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#Cc3ccccc3)C2)C1 ZINC001215381363 1041765872 /nfs/dbraw/zinc/76/58/72/1041765872.db2.gz UZKSZPLBZWTVLM-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001279118130 1042906488 /nfs/dbraw/zinc/90/64/88/1042906488.db2.gz JPUHUEZDUKKJJJ-YQQQUEKLSA-N 2 1 351.498 2.686 20 30 FFEDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001279118130 1042906490 /nfs/dbraw/zinc/90/64/90/1042906490.db2.gz JPUHUEZDUKKJJJ-YQQQUEKLSA-N 2 1 351.498 2.686 20 30 FFEDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001279118130 1042906491 /nfs/dbraw/zinc/90/64/91/1042906491.db2.gz JPUHUEZDUKKJJJ-YQQQUEKLSA-N 2 1 351.498 2.686 20 30 FFEDMP C#CCCC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001279238531 1042961279 /nfs/dbraw/zinc/96/12/79/1042961279.db2.gz DAHBHMBHLBARCD-IFMALSPDSA-N 2 1 357.542 2.589 20 30 FFEDMP CCC1([NH2+]CC#Cc2ccccc2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281003989 1044792529 /nfs/dbraw/zinc/79/25/29/1044792529.db2.gz FGBHLVZVZCIFRP-TZIWHRDSSA-N 2 1 367.537 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001298901848 1050561913 /nfs/dbraw/zinc/56/19/13/1050561913.db2.gz XDOWBOFDZYVNMM-LEWJYISDSA-N 2 1 355.526 2.702 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001298901848 1050561924 /nfs/dbraw/zinc/56/19/24/1050561924.db2.gz XDOWBOFDZYVNMM-LEWJYISDSA-N 2 1 355.526 2.702 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001342246742 1050837276 /nfs/dbraw/zinc/83/72/76/1050837276.db2.gz DSAAVEXJOZWDTN-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N(C)CC[NH+]1CCCCC1 ZINC001343297210 1052143553 /nfs/dbraw/zinc/14/35/53/1052143553.db2.gz BEPIACCZUVPPHL-UHFFFAOYSA-N 2 1 371.533 2.524 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001343428807 1052226149 /nfs/dbraw/zinc/22/61/49/1052226149.db2.gz OIMFGFZRVXKYJZ-SFHVURJKSA-N 2 1 374.577 2.832 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001350908793 1055994164 /nfs/dbraw/zinc/99/41/64/1055994164.db2.gz DZYDGXGHQQIXME-LJQANCHMSA-N 2 1 374.525 2.629 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001339067142 1056063507 /nfs/dbraw/zinc/06/35/07/1056063507.db2.gz CELGLPPTEQQBMJ-RBUKOAKNSA-N 2 1 372.561 2.586 20 30 FFEDMP C=CC1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001574881758 1078089996 /nfs/dbraw/zinc/08/99/96/1078089996.db2.gz QEIMYXYBWLXMHB-AEFFLSMTSA-N 2 1 358.534 2.589 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001584324750 1079340701 /nfs/dbraw/zinc/34/07/01/1079340701.db2.gz ODFUWWDJPVGSGT-GOSISDBHSA-N 2 1 367.497 2.528 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000068015688 507084164 /nfs/dbraw/zinc/08/41/64/507084164.db2.gz FOSIEYSGKVXXCU-UHFFFAOYSA-N 2 1 373.928 2.720 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000068015688 507084172 /nfs/dbraw/zinc/08/41/72/507084172.db2.gz FOSIEYSGKVXXCU-UHFFFAOYSA-N 2 1 373.928 2.720 20 30 FFEDMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046280357 507110854 /nfs/dbraw/zinc/11/08/54/507110854.db2.gz XBRYHCXXYONUAX-GOSISDBHSA-N 2 1 371.529 2.506 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000106257271 508398619 /nfs/dbraw/zinc/39/86/19/508398619.db2.gz GJFZZXSTJZPHIN-UHFFFAOYSA-N 2 1 350.551 2.981 20 30 FFEDMP C=CCOc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000119998843 508907057 /nfs/dbraw/zinc/90/70/57/508907057.db2.gz BBNMHRDAJZQOKU-UHFFFAOYSA-N 2 1 371.525 2.628 20 30 FFEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267358064 509465441 /nfs/dbraw/zinc/46/54/41/509465441.db2.gz WAACDCKYKUVXOC-UHFFFAOYSA-N 2 1 357.546 2.710 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261664674 510018755 /nfs/dbraw/zinc/01/87/55/510018755.db2.gz BFVFCSHCJFUOCM-WFASDCNBSA-N 2 1 359.499 2.551 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000171561049 510227225 /nfs/dbraw/zinc/22/72/25/510227225.db2.gz BKIWWJFWADEZFE-UHFFFAOYSA-N 2 1 370.541 2.863 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277122830 510954343 /nfs/dbraw/zinc/95/43/43/510954343.db2.gz IACCLWWJSXWMIC-MOPGFXCFSA-N 2 1 362.514 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)c1 ZINC000277122830 510954347 /nfs/dbraw/zinc/95/43/47/510954347.db2.gz IACCLWWJSXWMIC-MOPGFXCFSA-N 2 1 362.514 2.580 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000331841432 511074084 /nfs/dbraw/zinc/07/40/84/511074084.db2.gz TXXCVHUODWJJJU-HDICACEKSA-N 2 1 354.498 2.534 20 30 FFEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411884286 512859640 /nfs/dbraw/zinc/85/96/40/512859640.db2.gz WRXJXXVHHYQYNI-UHFFFAOYSA-N 2 1 360.527 2.901 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000431624246 513946724 /nfs/dbraw/zinc/94/67/24/513946724.db2.gz VPSMELFMGZPFHE-OAQYLSRUSA-N 2 1 368.525 2.857 20 30 FFEDMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000431624246 513946732 /nfs/dbraw/zinc/94/67/32/513946732.db2.gz VPSMELFMGZPFHE-OAQYLSRUSA-N 2 1 368.525 2.857 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000499806329 515461652 /nfs/dbraw/zinc/46/16/52/515461652.db2.gz YDTFKJOZGQJYLY-RBUKOAKNSA-N 2 1 370.541 2.941 20 30 FFEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000459734397 515778368 /nfs/dbraw/zinc/77/83/68/515778368.db2.gz HBZCDXIKAWRFTC-KRWDZBQOSA-N 2 1 352.486 2.680 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469780159 515961693 /nfs/dbraw/zinc/96/16/93/515961693.db2.gz NGMCDTLYQCNOIJ-QGZVFWFLSA-N 2 1 369.513 2.571 20 30 FFEDMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107743 517085315 /nfs/dbraw/zinc/08/53/15/517085315.db2.gz SPIOJYLDKFJJNL-PZJWPPBQSA-N 2 1 368.525 2.639 20 30 FFEDMP C=CC1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000537250882 517108059 /nfs/dbraw/zinc/10/80/59/517108059.db2.gz NVLCNLDHIGLQGQ-UHFFFAOYSA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000537250882 517108067 /nfs/dbraw/zinc/10/80/67/517108067.db2.gz NVLCNLDHIGLQGQ-UHFFFAOYSA-N 2 1 371.525 2.628 20 30 FFEDMP N#Cc1cnn2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605239 518204716 /nfs/dbraw/zinc/20/47/16/518204716.db2.gz GYWWFNWCOZHTTC-FPOVZHCZSA-N 2 1 372.476 2.555 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000578680124 518323525 /nfs/dbraw/zinc/32/35/25/518323525.db2.gz CUUXCQRRKKRCJE-HOTGVXAUSA-N 2 1 363.527 2.710 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567691342 518658105 /nfs/dbraw/zinc/65/81/05/518658105.db2.gz VDTWWQVCUMISIJ-RAFMOHDBSA-N 2 1 374.525 2.768 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570964495 518863635 /nfs/dbraw/zinc/86/36/35/518863635.db2.gz UJMBWNVOWKVJIK-IAGOWNOFSA-N 2 1 374.492 2.847 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000594454215 519974457 /nfs/dbraw/zinc/97/44/57/519974457.db2.gz UWLSBVLCPICMCM-AJYBTWMASA-N 2 1 356.514 2.908 20 30 FFEDMP C[N@@H+](CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000595312954 520402250 /nfs/dbraw/zinc/40/22/50/520402250.db2.gz QAHOMAMFIJCSRL-UHFFFAOYSA-N 2 1 362.521 2.850 20 30 FFEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCCC2)cc1 ZINC000303786969 729734722 /nfs/dbraw/zinc/73/47/22/729734722.db2.gz RWSACFLYRXOYIV-SFHVURJKSA-N 2 1 362.543 2.586 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Br)ccc1F ZINC000303881273 729735126 /nfs/dbraw/zinc/73/51/26/729735126.db2.gz KRVMGFLTRGYDOX-AWEZNQCLSA-N 2 1 371.298 2.519 20 30 FFEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303889913 729735542 /nfs/dbraw/zinc/73/55/42/729735542.db2.gz MHGZILXZPNFCIL-LBPRGKRZSA-N 2 1 361.317 2.927 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305665987 729738366 /nfs/dbraw/zinc/73/83/66/729738366.db2.gz HZSVFZNMOYXBKQ-RHSMWYFYSA-N 2 1 370.900 2.803 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000876777430 732280057 /nfs/dbraw/zinc/28/00/57/732280057.db2.gz MTYRNHIQEXBLEI-CXAGYDPISA-N 2 1 351.878 2.816 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900972 732294632 /nfs/dbraw/zinc/29/46/32/732294632.db2.gz VVANWFZWNMGNRW-CEXWTWQISA-N 2 1 361.917 2.969 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902720871 735985706 /nfs/dbraw/zinc/98/57/06/735985706.db2.gz ORAKYIHSBWHITR-YJBOKZPZSA-N 2 1 355.511 2.654 20 30 FFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667222 742212001 /nfs/dbraw/zinc/21/20/01/742212001.db2.gz IBNAOIBSDPZTCE-MOPGFXCFSA-N 2 1 361.917 2.665 20 30 FFEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667222 742212006 /nfs/dbraw/zinc/21/20/06/742212006.db2.gz IBNAOIBSDPZTCE-MOPGFXCFSA-N 2 1 361.917 2.665 20 30 FFEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035186501 742945532 /nfs/dbraw/zinc/94/55/32/742945532.db2.gz FBZFVLDRMRCTNH-DLBZAZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035186501 742945537 /nfs/dbraw/zinc/94/55/37/742945537.db2.gz FBZFVLDRMRCTNH-DLBZAZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035186501 742945543 /nfs/dbraw/zinc/94/55/43/742945543.db2.gz FBZFVLDRMRCTNH-DLBZAZTESA-N 2 1 353.938 2.784 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001021262444 961342001 /nfs/dbraw/zinc/34/20/01/961342001.db2.gz NILBRAPUINGCFM-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001021262444 961342014 /nfs/dbraw/zinc/34/20/14/961342014.db2.gz NILBRAPUINGCFM-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001021262444 961342033 /nfs/dbraw/zinc/34/20/33/961342033.db2.gz NILBRAPUINGCFM-HQIVZWLNSA-N 2 1 366.509 2.510 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276053839 1013375519 /nfs/dbraw/zinc/37/55/19/1013375519.db2.gz PVYKSRIZRJDOJE-OAQYLSRUSA-N 2 1 350.466 2.934 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2-n2cc[nH+]c2C)C1=O ZINC001276053839 1013375528 /nfs/dbraw/zinc/37/55/28/1013375528.db2.gz PVYKSRIZRJDOJE-OAQYLSRUSA-N 2 1 350.466 2.934 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001266786064 964143031 /nfs/dbraw/zinc/14/30/31/964143031.db2.gz AHROSISUBHEZOY-BHIFYINESA-N 2 1 367.537 2.597 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000261953728 964986342 /nfs/dbraw/zinc/98/63/42/964986342.db2.gz LUQKUYVZSSPPAV-PZJWPPBQSA-N 2 1 364.578 2.822 20 30 FFEDMP N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CCCC2)c1 ZINC001270757884 965875502 /nfs/dbraw/zinc/87/55/02/965875502.db2.gz VPWMACRPTDKJBC-QZTJIDSGSA-N 2 1 363.465 2.604 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087212769 966579770 /nfs/dbraw/zinc/57/97/70/966579770.db2.gz PIPHHAMPZATBPG-OPYAIIAOSA-N 2 1 368.525 2.759 20 30 FFEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)CC1 ZINC001075453749 966842721 /nfs/dbraw/zinc/84/27/21/966842721.db2.gz AGFCAOXBIJTYLN-DFQSSKMNSA-N 2 1 368.525 2.877 20 30 FFEDMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001267257618 967497849 /nfs/dbraw/zinc/49/78/49/967497849.db2.gz NNPSHRPYCBIWOX-YLJYHZDGSA-N 2 1 356.514 2.615 20 30 FFEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001267257618 967497852 /nfs/dbraw/zinc/49/78/52/967497852.db2.gz NNPSHRPYCBIWOX-YLJYHZDGSA-N 2 1 356.514 2.615 20 30 FFEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001267257618 967497858 /nfs/dbraw/zinc/49/78/58/967497858.db2.gz NNPSHRPYCBIWOX-YLJYHZDGSA-N 2 1 356.514 2.615 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001087593505 968283596 /nfs/dbraw/zinc/28/35/96/968283596.db2.gz JEASTEPEUMFRHP-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001087593505 968283608 /nfs/dbraw/zinc/28/36/08/968283608.db2.gz JEASTEPEUMFRHP-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001087593505 968283614 /nfs/dbraw/zinc/28/36/14/968283614.db2.gz JEASTEPEUMFRHP-HBMCJLEFSA-N 2 1 368.525 2.902 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627705 968422843 /nfs/dbraw/zinc/42/28/43/968422843.db2.gz OORAFYLNSLBIFQ-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001104594649 969896749 /nfs/dbraw/zinc/89/67/49/969896749.db2.gz BYODAMFRQWSIKA-BHIYHBOVSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001267691359 970543116 /nfs/dbraw/zinc/54/31/16/970543116.db2.gz WQRMUOWGIBSUFO-NRSPTQNISA-N 2 1 355.526 2.688 20 30 FFEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267691359 970543126 /nfs/dbraw/zinc/54/31/26/970543126.db2.gz WQRMUOWGIBSUFO-NRSPTQNISA-N 2 1 355.526 2.688 20 30 FFEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001267691359 970543138 /nfs/dbraw/zinc/54/31/38/970543138.db2.gz WQRMUOWGIBSUFO-NRSPTQNISA-N 2 1 355.526 2.688 20 30 FFEDMP C=CC[C@@]1(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCC[NH2+]1 ZINC000662726945 973817319 /nfs/dbraw/zinc/81/73/19/973817319.db2.gz KMLARPUGUPYINJ-NRFANRHFSA-N 2 1 363.546 2.615 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000303989846 974175213 /nfs/dbraw/zinc/17/52/13/974175213.db2.gz XYMOEBFXVHPVTI-NRFANRHFSA-N 3 1 371.573 2.807 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211677019 974986286 /nfs/dbraw/zinc/98/62/86/974986286.db2.gz YOWYAVIUOYGJSG-VQTJNVASSA-N 2 1 355.526 2.572 20 30 FFEDMP C=CC[C@]1(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000662675660 975813278 /nfs/dbraw/zinc/81/32/78/975813278.db2.gz PBIDYPYPXZVYDZ-KGVIQGDOSA-N 2 1 371.525 2.610 20 30 FFEDMP C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001087455723 977776799 /nfs/dbraw/zinc/77/67/99/977776799.db2.gz JRKKDWJOZWHOBW-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000664020032 977870859 /nfs/dbraw/zinc/87/08/59/977870859.db2.gz PWHMJUNKNURNGN-NRFANRHFSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001269120602 978468989 /nfs/dbraw/zinc/46/89/89/978468989.db2.gz PZCGFHQOOMUYRS-CEXWTWQISA-N 2 1 361.917 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)CC[N@H+]1C ZINC001271846162 979145221 /nfs/dbraw/zinc/14/52/21/979145221.db2.gz ODIWMMNFRDWBFN-SLFFLAALSA-N 2 1 356.514 2.519 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000963344237 1014596778 /nfs/dbraw/zinc/59/67/78/1014596778.db2.gz KGDOTWRQPGAYKW-XZSMBWTPSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088620599 981873893 /nfs/dbraw/zinc/87/38/93/981873893.db2.gz SJUNKVHDESPBJR-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088620599 981873905 /nfs/dbraw/zinc/87/39/05/981873905.db2.gz SJUNKVHDESPBJR-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088620599 981873916 /nfs/dbraw/zinc/87/39/16/981873916.db2.gz SJUNKVHDESPBJR-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CO[C@@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCC[C@@H](OC)C3)c2)C1 ZINC000878046473 1014833207 /nfs/dbraw/zinc/83/32/07/1014833207.db2.gz AMNRWCXPUQGMAF-NHCUHLMSSA-N 2 1 357.498 2.780 20 30 FFEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCC1 ZINC001105544111 982394795 /nfs/dbraw/zinc/39/47/95/982394795.db2.gz ARZHSUCGMWRSIC-ZHALLVOQSA-N 2 1 354.498 2.678 20 30 FFEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000997100672 985131640 /nfs/dbraw/zinc/13/16/40/985131640.db2.gz NDMNXUDSDXDPCT-CBGDNZLLSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997315842 985357378 /nfs/dbraw/zinc/35/73/78/985357378.db2.gz KFKIUPRFOLYPOS-UIFIKXQLSA-N 2 1 355.526 2.735 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088898336 985368603 /nfs/dbraw/zinc/36/86/03/985368603.db2.gz AKZSGUQRKLQEGZ-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088898336 985368610 /nfs/dbraw/zinc/36/86/10/985368610.db2.gz AKZSGUQRKLQEGZ-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088898336 985368616 /nfs/dbraw/zinc/36/86/16/985368616.db2.gz AKZSGUQRKLQEGZ-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897148 985375736 /nfs/dbraw/zinc/37/57/36/985375736.db2.gz VMOIWGJBPBDYBV-LQWHRVPQSA-N 2 1 368.525 2.902 20 30 FFEDMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897148 985375750 /nfs/dbraw/zinc/37/57/50/985375750.db2.gz VMOIWGJBPBDYBV-LQWHRVPQSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1F ZINC000888359997 985516510 /nfs/dbraw/zinc/51/65/10/985516510.db2.gz WALMXLUUHASZMK-INIZCTEOSA-N 2 1 361.465 2.577 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172958216 985725504 /nfs/dbraw/zinc/72/55/04/985725504.db2.gz WZQZBKHOBXOYMY-IBGZPJMESA-N 2 1 364.497 2.891 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172958216 985725509 /nfs/dbraw/zinc/72/55/09/985725509.db2.gz WZQZBKHOBXOYMY-IBGZPJMESA-N 2 1 364.497 2.891 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538005 987605420 /nfs/dbraw/zinc/60/54/20/987605420.db2.gz KVNCHMOLGKCAHK-LPHOPBHVSA-N 2 1 364.921 2.977 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000762717277 988604172 /nfs/dbraw/zinc/60/41/72/988604172.db2.gz MIXPXVBVEZEMLI-NRFANRHFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000762717277 988604175 /nfs/dbraw/zinc/60/41/75/988604175.db2.gz MIXPXVBVEZEMLI-NRFANRHFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762717277 988604179 /nfs/dbraw/zinc/60/41/79/988604179.db2.gz MIXPXVBVEZEMLI-NRFANRHFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762717277 988604183 /nfs/dbraw/zinc/60/41/83/988604183.db2.gz MIXPXVBVEZEMLI-NRFANRHFSA-N 2 1 365.521 2.599 20 30 FFEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089499202 990649250 /nfs/dbraw/zinc/64/92/50/990649250.db2.gz BSEFLTPEKQWHAE-NJYVYQBISA-N 2 1 367.537 2.572 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198884 991873666 /nfs/dbraw/zinc/87/36/66/991873666.db2.gz XAPFPWAZDIIRLW-RBUKOAKNSA-N 2 1 359.489 2.628 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187382 991897469 /nfs/dbraw/zinc/89/74/69/991897469.db2.gz CHOMNVAVPLWDSJ-QHAWAJNXSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081179629 993739713 /nfs/dbraw/zinc/73/97/13/993739713.db2.gz BDWCTOCKEYGNLJ-HLAWJBBLSA-N 2 1 364.493 2.524 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513142 994768455 /nfs/dbraw/zinc/76/84/55/994768455.db2.gz AHQFBKMMSLWDKB-UWWQBHOKSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513141 994769574 /nfs/dbraw/zinc/76/95/74/994769574.db2.gz AHQFBKMMSLWDKB-QGPMSJSTSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662972 996792204 /nfs/dbraw/zinc/79/22/04/996792204.db2.gz GBNUBCWNSCZCNL-MBOZVWFJSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662972 996792212 /nfs/dbraw/zinc/79/22/12/996792212.db2.gz GBNUBCWNSCZCNL-MBOZVWFJSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662972 996792221 /nfs/dbraw/zinc/79/22/21/996792221.db2.gz GBNUBCWNSCZCNL-MBOZVWFJSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663446 996795258 /nfs/dbraw/zinc/79/52/58/996795258.db2.gz DBRGULZCCFGMRM-NHCUHLMSSA-N 2 1 355.526 2.903 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001084961077 998387546 /nfs/dbraw/zinc/38/75/46/998387546.db2.gz JICCAMCAYMGMNL-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001084961077 998387558 /nfs/dbraw/zinc/38/75/58/998387558.db2.gz JICCAMCAYMGMNL-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001084961077 998387570 /nfs/dbraw/zinc/38/75/70/998387570.db2.gz JICCAMCAYMGMNL-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccc(C)cc3)[C@H]2C1 ZINC001084961077 998387579 /nfs/dbraw/zinc/38/75/79/998387579.db2.gz JICCAMCAYMGMNL-FSSWDIPSSA-N 2 1 365.521 2.515 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001085203894 999157507 /nfs/dbraw/zinc/15/75/07/999157507.db2.gz IVUWCSPEPKOFBX-LMFCIFFHSA-N 2 1 372.488 2.555 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2=CCCCC2)CC1 ZINC001096607451 1016346312 /nfs/dbraw/zinc/34/63/12/1016346312.db2.gz CHMNKZVSBWWRLN-HKBOAZHASA-N 2 1 355.526 2.554 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001109957658 1001208475 /nfs/dbraw/zinc/20/84/75/1001208475.db2.gz OHXMEXWZCXUAFF-FUMNGEBKSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001109957658 1001208484 /nfs/dbraw/zinc/20/84/84/1001208484.db2.gz OHXMEXWZCXUAFF-FUMNGEBKSA-N 2 1 363.546 2.565 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110005743 1001278858 /nfs/dbraw/zinc/27/88/58/1001278858.db2.gz ANIUILSTQOTYRO-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924517 1001332863 /nfs/dbraw/zinc/33/28/63/1001332863.db2.gz USZQWTCOTUIXRR-BRWVUGGUSA-N 2 1 353.938 2.782 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1 ZINC001112586371 1001538034 /nfs/dbraw/zinc/53/80/34/1001538034.db2.gz WKRKRSIAOGIPRA-UNMCSNQZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605833 1002927548 /nfs/dbraw/zinc/92/75/48/1002927548.db2.gz XXGHWDRUISYNTO-QHAWAJNXSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001086605833 1002927558 /nfs/dbraw/zinc/92/75/58/1002927558.db2.gz XXGHWDRUISYNTO-QHAWAJNXSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001086605833 1002927568 /nfs/dbraw/zinc/92/75/68/1002927568.db2.gz XXGHWDRUISYNTO-QHAWAJNXSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086619981 1003548718 /nfs/dbraw/zinc/54/87/18/1003548718.db2.gz RLMIVQSQJVDCRP-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619981 1003548724 /nfs/dbraw/zinc/54/87/24/1003548724.db2.gz RLMIVQSQJVDCRP-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619981 1003548732 /nfs/dbraw/zinc/54/87/32/1003548732.db2.gz RLMIVQSQJVDCRP-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489305078 1005454723 /nfs/dbraw/zinc/45/47/23/1005454723.db2.gz LPGOHIQMTWOPHA-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489305078 1005454725 /nfs/dbraw/zinc/45/47/25/1005454725.db2.gz LPGOHIQMTWOPHA-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489305078 1005454726 /nfs/dbraw/zinc/45/47/26/1005454726.db2.gz LPGOHIQMTWOPHA-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001489305078 1005454728 /nfs/dbraw/zinc/45/47/28/1005454728.db2.gz LPGOHIQMTWOPHA-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732016 1007253162 /nfs/dbraw/zinc/25/31/62/1007253162.db2.gz CTLMFQWKHBKSAO-DZFGPLHGSA-N 2 1 359.558 2.996 20 30 FFEDMP N#Cc1ccc(-c2ccc(-c3noc([C@@H]([NH3+])CSCC[NH3+])n3)cc2)cc1 ZINC001206625557 1032368206 /nfs/dbraw/zinc/36/82/06/1032368206.db2.gz PDCNFDBHTQNAHX-KRWDZBQOSA-N 2 1 365.462 2.967 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001178517977 1009015385 /nfs/dbraw/zinc/01/53/85/1009015385.db2.gz CUZSTGHHTWPRLB-YLJYHZDGSA-N 2 1 356.514 2.665 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985923 1009541191 /nfs/dbraw/zinc/54/11/91/1009541191.db2.gz MYLSESQNJAHFOS-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985923 1009541201 /nfs/dbraw/zinc/54/12/01/1009541201.db2.gz MYLSESQNJAHFOS-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC001092985923 1009541209 /nfs/dbraw/zinc/54/12/09/1009541209.db2.gz MYLSESQNJAHFOS-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(C)cc2)n1 ZINC000104190941 1009935326 /nfs/dbraw/zinc/93/53/26/1009935326.db2.gz QYZYJYCMSHKONI-GOSISDBHSA-N 2 1 355.486 2.581 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001093767895 1010540456 /nfs/dbraw/zinc/54/04/56/1010540456.db2.gz HHBMRAHABMKXSC-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001172253496 1011728802 /nfs/dbraw/zinc/72/88/02/1011728802.db2.gz RSZCDKYNVUPBCN-FQEVSTJZSA-N 2 1 357.498 2.902 20 30 FFEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001172253496 1011728811 /nfs/dbraw/zinc/72/88/11/1011728811.db2.gz RSZCDKYNVUPBCN-FQEVSTJZSA-N 2 1 357.498 2.902 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000303779616 1012426994 /nfs/dbraw/zinc/42/69/94/1012426994.db2.gz KRXFJWXOWWNFTA-WIYYLYMNSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000303779616 1012427007 /nfs/dbraw/zinc/42/70/07/1012427007.db2.gz KRXFJWXOWWNFTA-WIYYLYMNSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000303779616 1012427028 /nfs/dbraw/zinc/42/70/28/1012427028.db2.gz KRXFJWXOWWNFTA-WIYYLYMNSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303779869 1012427655 /nfs/dbraw/zinc/42/76/55/1012427655.db2.gz KXCYDGPIMKZXAA-OAQYLSRUSA-N 3 1 371.573 2.807 20 30 FFEDMP C=CCOC1CCC([NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001173322482 1012441383 /nfs/dbraw/zinc/44/13/83/1012441383.db2.gz FJAAZUYJJPXUOZ-PGYGNJIDSA-N 2 1 364.530 2.850 20 30 FFEDMP C=CCOC1CCC([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001173324737 1012443459 /nfs/dbraw/zinc/44/34/59/1012443459.db2.gz SIYDFTAGDHFIQD-UHFFFAOYSA-N 2 1 358.530 2.851 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000303896382 1012505451 /nfs/dbraw/zinc/50/54/51/1012505451.db2.gz PZFYNQVXOQWRNZ-RXVVDRJESA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000303896382 1012505463 /nfs/dbraw/zinc/50/54/63/1012505463.db2.gz PZFYNQVXOQWRNZ-RXVVDRJESA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000303896382 1012505479 /nfs/dbraw/zinc/50/54/79/1012505479.db2.gz PZFYNQVXOQWRNZ-RXVVDRJESA-N 3 1 371.573 2.807 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000303907489 1012516503 /nfs/dbraw/zinc/51/65/03/1012516503.db2.gz WWFBPMYGUWCKCD-GHTZIAJQSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303907489 1012516515 /nfs/dbraw/zinc/51/65/15/1012516515.db2.gz WWFBPMYGUWCKCD-GHTZIAJQSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000303907489 1012516529 /nfs/dbraw/zinc/51/65/29/1012516529.db2.gz WWFBPMYGUWCKCD-GHTZIAJQSA-N 3 1 371.573 2.807 20 30 FFEDMP N#Cc1ccc(C(=O)N2CCC([NH+]3CCC([NH+]4CCCC4)CC3)CC2)cc1 ZINC001173429360 1012588925 /nfs/dbraw/zinc/58/89/25/1012588925.db2.gz VQGOMIQRWOWTCJ-UHFFFAOYSA-N 2 1 366.509 2.723 20 30 FFEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C2CCC(C)(C#N)CC2)CC1 ZINC001173595408 1012765762 /nfs/dbraw/zinc/76/57/62/1012765762.db2.gz XZPHZJTUDARBIL-QHCGNWPDSA-N 2 1 372.557 2.866 20 30 FFEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001050675133 1017106453 /nfs/dbraw/zinc/10/64/53/1017106453.db2.gz JOUJBSIEMAIBET-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC=C)CC1 ZINC001111455276 1017947014 /nfs/dbraw/zinc/94/70/14/1017947014.db2.gz WBGCLCJWIWOTCH-NJYVYQBISA-N 2 1 357.542 2.800 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260612 1022181857 /nfs/dbraw/zinc/18/18/57/1022181857.db2.gz RRZAQAFURLOFHJ-MCIONIFRSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260612 1022181862 /nfs/dbraw/zinc/18/18/62/1022181862.db2.gz RRZAQAFURLOFHJ-MCIONIFRSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001122514161 1023313877 /nfs/dbraw/zinc/31/38/77/1023313877.db2.gz OLNBBXOVTPBYAW-IPMKNSEASA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001122514161 1023313880 /nfs/dbraw/zinc/31/38/80/1023313880.db2.gz OLNBBXOVTPBYAW-IPMKNSEASA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001122514161 1023313886 /nfs/dbraw/zinc/31/38/86/1023313886.db2.gz OLNBBXOVTPBYAW-IPMKNSEASA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122602927 1023361966 /nfs/dbraw/zinc/36/19/66/1023361966.db2.gz YYSMLNPAQGTZFY-RTBURBONSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001121596568 1023871503 /nfs/dbraw/zinc/87/15/03/1023871503.db2.gz TUYUIYBMKUSBSV-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001101300971 1024389405 /nfs/dbraw/zinc/38/94/05/1024389405.db2.gz BKXCJBWWUBZTHC-UTKZUKDTSA-N 2 1 356.514 2.508 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001101300971 1024389421 /nfs/dbraw/zinc/38/94/21/1024389421.db2.gz BKXCJBWWUBZTHC-UTKZUKDTSA-N 2 1 356.514 2.508 20 30 FFEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001101550367 1024886678 /nfs/dbraw/zinc/88/66/78/1024886678.db2.gz FVKAPKKFVQSQKO-IEBWSBKVSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001101550367 1024886694 /nfs/dbraw/zinc/88/66/94/1024886694.db2.gz FVKAPKKFVQSQKO-IEBWSBKVSA-N 2 1 365.562 2.526 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645904 1033260705 /nfs/dbraw/zinc/26/07/05/1033260705.db2.gz LQPXPMOEQAVTHS-RBUKOAKNSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645904 1033260716 /nfs/dbraw/zinc/26/07/16/1033260716.db2.gz LQPXPMOEQAVTHS-RBUKOAKNSA-N 2 1 367.578 2.846 20 30 FFEDMP CCCCCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645904 1033260723 /nfs/dbraw/zinc/26/07/23/1033260723.db2.gz LQPXPMOEQAVTHS-RBUKOAKNSA-N 2 1 367.578 2.846 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466748 1026015914 /nfs/dbraw/zinc/01/59/14/1026015914.db2.gz VVUOVKVGVWKVGN-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466748 1026015936 /nfs/dbraw/zinc/01/59/36/1026015936.db2.gz VVUOVKVGVWKVGN-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436079 1027482720 /nfs/dbraw/zinc/48/27/20/1027482720.db2.gz JPWWHJNDNWPOFI-NZSAHSFTSA-N 2 1 358.530 2.794 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103436079 1027482727 /nfs/dbraw/zinc/48/27/27/1027482727.db2.gz JPWWHJNDNWPOFI-NZSAHSFTSA-N 2 1 358.530 2.794 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2cc(OC)c(OC)cc21 ZINC001159925350 1027537166 /nfs/dbraw/zinc/53/71/66/1027537166.db2.gz HSMLOFNGJJVINP-INIZCTEOSA-N 2 1 373.453 2.891 20 30 FFEDMP N#Cc1ccc(-c2ccc(F)cc2)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160510032 1027731564 /nfs/dbraw/zinc/73/15/64/1027731564.db2.gz DTKVQOCTJCXFTQ-HXUWFJFHSA-N 2 1 351.429 2.594 20 30 FFEDMP C#C[C@](C)([NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001160684624 1027804605 /nfs/dbraw/zinc/80/46/05/1027804605.db2.gz XAGKQHYOPUXSNH-GGAORHGYSA-N 2 1 361.489 2.640 20 30 FFEDMP C#C[C@](C)([NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684624 1027804621 /nfs/dbraw/zinc/80/46/21/1027804621.db2.gz XAGKQHYOPUXSNH-GGAORHGYSA-N 2 1 361.489 2.640 20 30 FFEDMP C[C@H](c1ccccc1)N(C(=O)C[NH2+]C1CC[NH2+]CC1)C1=CC(=O)CCC1 ZINC001161508791 1028207559 /nfs/dbraw/zinc/20/75/59/1028207559.db2.gz GZUOJPFJMBTEHG-MRXNPFEDSA-N 2 1 355.482 2.555 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2nnn3c2C[NH2+]CCC3)cc1 ZINC001162978829 1028743972 /nfs/dbraw/zinc/74/39/72/1028743972.db2.gz GZKFPCUARMGCKH-IBGZPJMESA-N 2 1 352.486 2.706 20 30 FFEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)c(Br)c1F ZINC001163700687 1029032142 /nfs/dbraw/zinc/03/21/42/1029032142.db2.gz JOJVXNPLEWEOEH-UHFFFAOYSA-N 2 1 357.271 2.755 20 30 FFEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)c(Br)c1F ZINC001163700687 1029032151 /nfs/dbraw/zinc/03/21/51/1029032151.db2.gz JOJVXNPLEWEOEH-UHFFFAOYSA-N 2 1 357.271 2.755 20 30 FFEDMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001156672494 1029301970 /nfs/dbraw/zinc/30/19/70/1029301970.db2.gz QJGPQDAUEPRORZ-IBGZPJMESA-N 2 1 361.555 2.743 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001156672494 1029301981 /nfs/dbraw/zinc/30/19/81/1029301981.db2.gz QJGPQDAUEPRORZ-IBGZPJMESA-N 2 1 361.555 2.743 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112114382 1030036322 /nfs/dbraw/zinc/03/63/22/1030036322.db2.gz OIQANEXCAFTRHC-RBSFLKMASA-N 2 1 370.419 2.706 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112397004 1030741846 /nfs/dbraw/zinc/74/18/46/1030741846.db2.gz OCUJLDLHQNPPOT-WFXMLNOXSA-N 2 1 356.514 2.945 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412600 1031725616 /nfs/dbraw/zinc/72/56/16/1031725616.db2.gz YYUNBTVCANOEKF-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1F ZINC001205674226 1031925605 /nfs/dbraw/zinc/92/56/05/1031925605.db2.gz GBJSIJGCRAMTSQ-XKGZKEIXSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037732 1033484547 /nfs/dbraw/zinc/48/45/47/1033484547.db2.gz ZXDDKBAPNVTPOM-SLFFLAALSA-N 2 1 363.546 2.519 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1OC ZINC001138347889 1034181857 /nfs/dbraw/zinc/18/18/57/1034181857.db2.gz MITFOTPOYBFVHJ-UHFFFAOYSA-N 2 1 351.450 2.733 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001220877164 1034439756 /nfs/dbraw/zinc/43/97/56/1034439756.db2.gz PWILYNSCYWVQJB-IBGZPJMESA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC001220877164 1034439766 /nfs/dbraw/zinc/43/97/66/1034439766.db2.gz PWILYNSCYWVQJB-IBGZPJMESA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC001220877164 1034439771 /nfs/dbraw/zinc/43/97/71/1034439771.db2.gz PWILYNSCYWVQJB-IBGZPJMESA-N 2 1 370.541 2.815 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226160780 1034552377 /nfs/dbraw/zinc/55/23/77/1034552377.db2.gz KXHDBJCLELIMKI-YPAWHYETSA-N 2 1 367.537 2.928 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001226824856 1034853715 /nfs/dbraw/zinc/85/37/15/1034853715.db2.gz POKFITKWRCJBCF-QZTJIDSGSA-N 2 1 360.527 2.621 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659601 1034959434 /nfs/dbraw/zinc/95/94/34/1034959434.db2.gz REQIBSDJCPHSNO-QWFCFKBJSA-N 2 1 356.514 2.795 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000836467959 1036565572 /nfs/dbraw/zinc/56/55/72/1036565572.db2.gz TYXKRAAKIGUEHB-NRFANRHFSA-N 2 1 370.541 2.543 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000836467959 1036565591 /nfs/dbraw/zinc/56/55/91/1036565591.db2.gz TYXKRAAKIGUEHB-NRFANRHFSA-N 2 1 370.541 2.543 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000836467961 1036565819 /nfs/dbraw/zinc/56/58/19/1036565819.db2.gz TYXKRAAKIGUEHB-OAQYLSRUSA-N 2 1 370.541 2.543 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000836467961 1036565826 /nfs/dbraw/zinc/56/58/26/1036565826.db2.gz TYXKRAAKIGUEHB-OAQYLSRUSA-N 2 1 370.541 2.543 20 30 FFEDMP N#Cc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c(F)c1 ZINC001236059851 1037910918 /nfs/dbraw/zinc/91/09/18/1037910918.db2.gz IEJQEQAZBDALEL-UHFFFAOYSA-N 2 1 356.470 2.727 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001208174968 1038110777 /nfs/dbraw/zinc/11/07/77/1038110777.db2.gz LQDMFHIKLRURLS-QGZVFWFLSA-N 2 1 372.513 2.627 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001208174968 1038110782 /nfs/dbraw/zinc/11/07/82/1038110782.db2.gz LQDMFHIKLRURLS-QGZVFWFLSA-N 2 1 372.513 2.627 20 30 FFEDMP C=C(C)CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610316 1038643168 /nfs/dbraw/zinc/64/31/68/1038643168.db2.gz PARZXCRXUCYCNL-UNMCSNQZSA-N 2 1 355.526 2.832 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001246031145 1039202866 /nfs/dbraw/zinc/20/28/66/1039202866.db2.gz JFVHHMIFFRWPEM-LEWJYISDSA-N 2 1 370.578 2.959 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246031145 1039202876 /nfs/dbraw/zinc/20/28/76/1039202876.db2.gz JFVHHMIFFRWPEM-LEWJYISDSA-N 2 1 370.578 2.959 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001246031146 1039204090 /nfs/dbraw/zinc/20/40/90/1039204090.db2.gz JFVHHMIFFRWPEM-NHCUHLMSSA-N 2 1 370.578 2.959 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246031146 1039204122 /nfs/dbraw/zinc/20/41/22/1039204122.db2.gz JFVHHMIFFRWPEM-NHCUHLMSSA-N 2 1 370.578 2.959 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001246302191 1039304804 /nfs/dbraw/zinc/30/48/04/1039304804.db2.gz BODMFMHYCBCEFZ-CJNGLKHVSA-N 2 1 370.415 2.778 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001246305184 1039307804 /nfs/dbraw/zinc/30/78/04/1039307804.db2.gz PPIHRDLIWUSVFX-IBGZPJMESA-N 2 1 363.477 2.611 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001278637939 1039338304 /nfs/dbraw/zinc/33/83/04/1039338304.db2.gz BNTMBHBZVFNDIR-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001278637939 1039338322 /nfs/dbraw/zinc/33/83/22/1039338322.db2.gz BNTMBHBZVFNDIR-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252127977 1039441308 /nfs/dbraw/zinc/44/13/08/1039441308.db2.gz HSGLRARZUBWVAE-NJDAHSKKSA-N 2 1 370.578 2.767 20 30 FFEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252127977 1039441314 /nfs/dbraw/zinc/44/13/14/1039441314.db2.gz HSGLRARZUBWVAE-NJDAHSKKSA-N 2 1 370.578 2.767 20 30 FFEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252127977 1039441320 /nfs/dbraw/zinc/44/13/20/1039441320.db2.gz HSGLRARZUBWVAE-NJDAHSKKSA-N 2 1 370.578 2.767 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCOCC2)CC3)cc1C#N ZINC001278463526 1039452365 /nfs/dbraw/zinc/45/23/65/1039452365.db2.gz DBTGQPAHLNWEKJ-UHFFFAOYSA-N 2 1 356.514 2.611 20 30 FFEDMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764438 1039470920 /nfs/dbraw/zinc/47/09/20/1039470920.db2.gz KGIWOFSFVQQMFV-STZQEDGTSA-N 2 1 368.525 2.618 20 30 FFEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001278691361 1039904210 /nfs/dbraw/zinc/90/42/10/1039904210.db2.gz DVHKKRBXLDZZEV-YQQQUEKLSA-N 2 1 351.498 2.686 20 30 FFEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001253240420 1040066296 /nfs/dbraw/zinc/06/62/96/1040066296.db2.gz KUGHQESXDMWWFQ-FQEVSTJZSA-N 2 1 365.562 2.536 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529056 1040645009 /nfs/dbraw/zinc/64/50/09/1040645009.db2.gz KTPBNJNZQDMHFR-RCCFBDPRSA-N 2 1 362.518 2.567 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213529056 1040645013 /nfs/dbraw/zinc/64/50/13/1040645013.db2.gz KTPBNJNZQDMHFR-RCCFBDPRSA-N 2 1 362.518 2.567 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934282 1041087131 /nfs/dbraw/zinc/08/71/31/1041087131.db2.gz NTWJMUBDDKDUCY-VAMGGRTRSA-N 2 1 365.562 2.669 20 30 FFEDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001278847463 1041185110 /nfs/dbraw/zinc/18/51/10/1041185110.db2.gz QKNSOXOGOWFPMJ-UHFFFAOYSA-N 2 1 365.546 2.827 20 30 FFEDMP Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(C)[nH+]1 ZINC001261505907 1041279327 /nfs/dbraw/zinc/27/93/27/1041279327.db2.gz ZWGMPLHTJMBTGA-UHFFFAOYSA-N 2 1 363.465 2.778 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001263903045 1042521717 /nfs/dbraw/zinc/52/17/17/1042521717.db2.gz FZMAEYGUHAXSCR-BHDDXSALSA-N 2 1 367.537 2.787 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279869978 1043804840 /nfs/dbraw/zinc/80/48/40/1043804840.db2.gz SZAXIIRJWHMVLI-QFIPXVFZSA-N 2 1 354.542 2.970 20 30 FFEDMP Cn1c[nH+]cc1N1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280120838 1044249385 /nfs/dbraw/zinc/24/93/85/1044249385.db2.gz UGOJPCBJUZHMDH-FQEVSTJZSA-N 2 1 352.486 2.513 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001318661305 1044795998 /nfs/dbraw/zinc/79/59/98/1044795998.db2.gz ZEGUHWPMIAQFCM-HXUWFJFHSA-N 2 1 356.514 2.593 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001318661305 1044796006 /nfs/dbraw/zinc/79/60/06/1044796006.db2.gz ZEGUHWPMIAQFCM-HXUWFJFHSA-N 2 1 356.514 2.593 20 30 FFEDMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001326457127 1046940309 /nfs/dbraw/zinc/94/03/09/1046940309.db2.gz XJKSIQKUBWSOAP-UHFFFAOYSA-N 2 1 364.449 2.628 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308169546 1052423970 /nfs/dbraw/zinc/42/39/70/1052423970.db2.gz CINVBIGMBXLNQX-SZPZYZBQSA-N 2 1 351.494 2.804 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308169546 1052423972 /nfs/dbraw/zinc/42/39/72/1052423972.db2.gz CINVBIGMBXLNQX-SZPZYZBQSA-N 2 1 351.494 2.804 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308169546 1052423977 /nfs/dbraw/zinc/42/39/77/1052423977.db2.gz CINVBIGMBXLNQX-SZPZYZBQSA-N 2 1 351.494 2.804 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001343824359 1052438897 /nfs/dbraw/zinc/43/88/97/1052438897.db2.gz UQAIOFFTZCLNHJ-RCCFBDPRSA-N 2 1 360.550 2.582 20 30 FFEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001872276 1055679864 /nfs/dbraw/zinc/67/98/64/1055679864.db2.gz WGPXYRPLMMNNMJ-RTWAWAEBSA-N 2 1 355.526 2.736 20 30 FFEDMP C#CCN(Cc1ccccc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848067324 1058863013 /nfs/dbraw/zinc/86/30/13/1058863013.db2.gz CAWWZUAYRKQCGJ-UHFFFAOYSA-N 2 1 367.537 2.845 20 30 FFEDMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000848533813 1060234468 /nfs/dbraw/zinc/23/44/68/1060234468.db2.gz KIVWFUQOHUPPAL-OALUTQOASA-N 2 1 373.497 2.719 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001467868196 1063870956 /nfs/dbraw/zinc/87/09/56/1063870956.db2.gz IWQXPXQLBMUOQJ-IBGZPJMESA-N 2 1 370.541 2.673 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001467868196 1063870964 /nfs/dbraw/zinc/87/09/64/1063870964.db2.gz IWQXPXQLBMUOQJ-IBGZPJMESA-N 2 1 370.541 2.673 20 30 FFEDMP C=CCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001574927166 1078093915 /nfs/dbraw/zinc/09/39/15/1078093915.db2.gz FWFZEMHLVQFXQW-OKZBNKHCSA-N 2 1 360.550 2.760 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001566020090 1076854587 /nfs/dbraw/zinc/85/45/87/1076854587.db2.gz CACIWMMGMHTVKW-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001566053267 1076881214 /nfs/dbraw/zinc/88/12/14/1076881214.db2.gz XFSGBNQJGNAAFY-RTWAWAEBSA-N 2 1 368.525 2.570 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001566053267 1076881221 /nfs/dbraw/zinc/88/12/21/1076881221.db2.gz XFSGBNQJGNAAFY-RTWAWAEBSA-N 2 1 368.525 2.570 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001566053267 1076881226 /nfs/dbraw/zinc/88/12/26/1076881226.db2.gz XFSGBNQJGNAAFY-RTWAWAEBSA-N 2 1 368.525 2.570 20 30 FFEDMP CCCC[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570810319 1077233151 /nfs/dbraw/zinc/23/31/51/1077233151.db2.gz MXYMFTSJYLSXFM-NSISKUIASA-N 2 1 356.514 2.663 20 30 FFEDMP C#CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC001574518482 1078007546 /nfs/dbraw/zinc/00/75/46/1078007546.db2.gz YCHWRAUVAAFFKM-AVRDEDQJSA-N 2 1 353.510 2.680 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377624381 512359407 /nfs/dbraw/zinc/35/94/07/512359407.db2.gz JBDAVWNYPRAAKO-PXNSSMCTSA-N 2 1 356.514 2.578 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263913 508398661 /nfs/dbraw/zinc/39/86/61/508398661.db2.gz XONUFWPHESRQDZ-GOSISDBHSA-N 2 1 350.551 2.838 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000121253081 509158180 /nfs/dbraw/zinc/15/81/80/509158180.db2.gz DEYBPWAVOLMCBA-NQIIRXRSSA-N 2 1 370.541 2.847 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000264056237 509308360 /nfs/dbraw/zinc/30/83/60/509308360.db2.gz BAUZGZIOBPBXAH-OAHLLOKOSA-N 2 1 358.442 2.861 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092374 509320351 /nfs/dbraw/zinc/32/03/51/509320351.db2.gz XXKBOJOMHWSDED-QGZVFWFLSA-N 2 1 361.465 2.577 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267348968 509461008 /nfs/dbraw/zinc/46/10/08/509461008.db2.gz PFPJIROLIXJHIW-GHTZIAJQSA-N 2 1 370.541 2.847 20 30 FFEDMP COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150699 510434869 /nfs/dbraw/zinc/43/48/69/510434869.db2.gz KGUYIFBUMPYUOD-NHCUHLMSSA-N 2 1 365.477 2.539 20 30 FFEDMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150699 510434871 /nfs/dbraw/zinc/43/48/71/510434871.db2.gz KGUYIFBUMPYUOD-NHCUHLMSSA-N 2 1 365.477 2.539 20 30 FFEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560269 510557385 /nfs/dbraw/zinc/55/73/85/510557385.db2.gz BJPBSHRRJZTDAV-RHSMWYFYSA-N 2 1 372.538 2.853 20 30 FFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560269 510557393 /nfs/dbraw/zinc/55/73/93/510557393.db2.gz BJPBSHRRJZTDAV-RHSMWYFYSA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560269 510557400 /nfs/dbraw/zinc/55/74/00/510557400.db2.gz BJPBSHRRJZTDAV-RHSMWYFYSA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000246560269 510557405 /nfs/dbraw/zinc/55/74/05/510557405.db2.gz BJPBSHRRJZTDAV-RHSMWYFYSA-N 2 1 372.538 2.853 20 30 FFEDMP Cn1ccnc1C[NH+]1CCC(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000330103876 510916867 /nfs/dbraw/zinc/91/68/67/510916867.db2.gz IVUOGEVFOLQTCS-UHFFFAOYSA-N 2 1 359.518 2.606 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282843959 511132763 /nfs/dbraw/zinc/13/27/63/511132763.db2.gz TYHHIAXJKPNJCC-NRFANRHFSA-N 2 1 367.537 2.749 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298502048 511307589 /nfs/dbraw/zinc/30/75/89/511307589.db2.gz KDEDPKSXGOCVJF-IBGZPJMESA-N 2 1 365.481 2.835 20 30 FFEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298502048 511307596 /nfs/dbraw/zinc/30/75/96/511307596.db2.gz KDEDPKSXGOCVJF-IBGZPJMESA-N 2 1 365.481 2.835 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000328773114 511929829 /nfs/dbraw/zinc/92/98/29/511929829.db2.gz JWKBYGYKTLVZSZ-KRWDZBQOSA-N 2 1 359.518 2.554 20 30 FFEDMP C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050968 512779877 /nfs/dbraw/zinc/77/98/77/512779877.db2.gz IZGDKRVLASAJQV-OAQYLSRUSA-N 2 1 370.541 2.969 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(C#N)cs1 ZINC000370311712 512872732 /nfs/dbraw/zinc/87/27/32/512872732.db2.gz JQRKFJGMRYZGPJ-UHFFFAOYSA-N 2 1 374.554 2.888 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682133 513656849 /nfs/dbraw/zinc/65/68/49/513656849.db2.gz MRGLBXWHEQWYSV-GOSISDBHSA-N 2 1 359.539 2.893 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682133 513656852 /nfs/dbraw/zinc/65/68/52/513656852.db2.gz MRGLBXWHEQWYSV-GOSISDBHSA-N 2 1 359.539 2.893 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449123989 514082306 /nfs/dbraw/zinc/08/23/06/514082306.db2.gz OXELNEDSRVLRDM-MRXNPFEDSA-N 2 1 350.528 2.824 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915317 514830355 /nfs/dbraw/zinc/83/03/55/514830355.db2.gz HGIBAFJFWIUDSO-LJQANCHMSA-N 2 1 357.502 2.632 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029263 515944331 /nfs/dbraw/zinc/94/43/31/515944331.db2.gz QDXPZCKRVPSKQN-LAUBAEHRSA-N 2 1 371.529 2.673 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000527049855 517472379 /nfs/dbraw/zinc/47/23/79/517472379.db2.gz GYFLUUWBURFTPF-GJZGRUSLSA-N 2 1 351.454 2.782 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000553429094 517708041 /nfs/dbraw/zinc/70/80/41/517708041.db2.gz OHZRFWVDUULMDQ-UHFFFAOYSA-N 2 1 358.461 2.832 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@@H](C)O1 ZINC000578680125 518323265 /nfs/dbraw/zinc/32/32/65/518323265.db2.gz CUUXCQRRKKRCJE-HZPDHXFCSA-N 2 1 363.527 2.710 20 30 FFEDMP C[C@H](NCc1nc(C#N)cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000578870722 518415230 /nfs/dbraw/zinc/41/52/30/518415230.db2.gz AYLOGQXVGJITRR-ZDUSSCGKSA-N 2 1 359.474 2.756 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437653 519963811 /nfs/dbraw/zinc/96/38/11/519963811.db2.gz KIIOLCKLCQCJLB-RBBKRZOGSA-N 2 1 368.525 2.912 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000604473806 520572311 /nfs/dbraw/zinc/57/23/11/520572311.db2.gz KXSQTGOQXZEWLO-SFHVURJKSA-N 2 1 360.465 2.603 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000604473806 520572318 /nfs/dbraw/zinc/57/23/18/520572318.db2.gz KXSQTGOQXZEWLO-SFHVURJKSA-N 2 1 360.465 2.603 20 30 FFEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000602005574 521073436 /nfs/dbraw/zinc/07/34/36/521073436.db2.gz YFXGMCYKSFIVHE-UHFFFAOYSA-N 2 1 353.441 2.944 20 30 FFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC000599277569 521125606 /nfs/dbraw/zinc/12/56/06/521125606.db2.gz NQTOPOZMBSCKLA-VQTJNVASSA-N 2 1 363.546 2.502 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC000599277570 521125980 /nfs/dbraw/zinc/12/59/80/521125980.db2.gz NQTOPOZMBSCKLA-WOJBJXKFSA-N 2 1 363.546 2.502 20 30 FFEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000599284417 521127273 /nfs/dbraw/zinc/12/72/73/521127273.db2.gz SVHJUGRUZWYFGG-VQTJNVASSA-N 2 1 363.546 2.646 20 30 FFEDMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602599941 521432444 /nfs/dbraw/zinc/43/24/44/521432444.db2.gz CWZHBYHKNFJOFD-RTBURBONSA-N 2 1 354.498 2.521 20 30 FFEDMP COCC[N@H+]1CCC[C@@H]1CNC(NCc1cccs1)=[NH+]C(C)(C)C ZINC000912506407 737314995 /nfs/dbraw/zinc/31/49/95/737314995.db2.gz NWVKIMFWXMMCDP-OAHLLOKOSA-N 2 1 352.548 2.693 20 30 FFEDMP COCC[N@H+]1CCC[C@H]1CNC(NCc1cccs1)=[NH+]C(C)(C)C ZINC000912506406 737315032 /nfs/dbraw/zinc/31/50/32/737315032.db2.gz NWVKIMFWXMMCDP-HNNXBMFYSA-N 2 1 352.548 2.693 20 30 FFEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402135 740829712 /nfs/dbraw/zinc/82/97/12/740829712.db2.gz SVSQFQYGBPPUPX-QRVBRYPASA-N 2 1 361.917 2.617 20 30 FFEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402135 740829716 /nfs/dbraw/zinc/82/97/16/740829716.db2.gz SVSQFQYGBPPUPX-QRVBRYPASA-N 2 1 361.917 2.617 20 30 FFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402135 740829717 /nfs/dbraw/zinc/82/97/17/740829717.db2.gz SVSQFQYGBPPUPX-QRVBRYPASA-N 2 1 361.917 2.617 20 30 FFEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972402135 740829720 /nfs/dbraw/zinc/82/97/20/740829720.db2.gz SVSQFQYGBPPUPX-QRVBRYPASA-N 2 1 361.917 2.617 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000815652731 741950466 /nfs/dbraw/zinc/95/04/66/741950466.db2.gz PKTRFKGDAZGWEU-CQSZACIVSA-N 2 1 351.878 2.610 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000815652731 741950467 /nfs/dbraw/zinc/95/04/67/741950467.db2.gz PKTRFKGDAZGWEU-CQSZACIVSA-N 2 1 351.878 2.610 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104294441 962379462 /nfs/dbraw/zinc/37/94/62/962379462.db2.gz PZJJUCIFFXTGGJ-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001104306232 962893825 /nfs/dbraw/zinc/89/38/25/962893825.db2.gz SCYQNSVQFLZUQA-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001104306232 962893834 /nfs/dbraw/zinc/89/38/34/962893834.db2.gz SCYQNSVQFLZUQA-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001095440024 1013385671 /nfs/dbraw/zinc/38/56/71/1013385671.db2.gz QIQMCVNJMYBQML-IFLJBQAJSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104354096 963853587 /nfs/dbraw/zinc/85/35/87/963853587.db2.gz RLOSQXVRCVOOGJ-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087469733 965302168 /nfs/dbraw/zinc/30/21/68/965302168.db2.gz URGTZWNSRCCTFU-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087469733 965302183 /nfs/dbraw/zinc/30/21/83/965302183.db2.gz URGTZWNSRCCTFU-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267178012 966931813 /nfs/dbraw/zinc/93/18/13/966931813.db2.gz OIAXHZOIEXUWTO-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267178012 966931818 /nfs/dbraw/zinc/93/18/18/966931818.db2.gz OIAXHZOIEXUWTO-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267178012 966931824 /nfs/dbraw/zinc/93/18/24/966931824.db2.gz OIAXHZOIEXUWTO-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087236149 967469220 /nfs/dbraw/zinc/46/92/20/967469220.db2.gz JYPHULZCACJABK-QMMLZNLJSA-N 2 1 368.525 2.617 20 30 FFEDMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001267257335 967492137 /nfs/dbraw/zinc/49/21/37/967492137.db2.gz ILCGALUXFIEHDN-YLJYHZDGSA-N 2 1 356.514 2.615 20 30 FFEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001267257335 967492145 /nfs/dbraw/zinc/49/21/45/967492145.db2.gz ILCGALUXFIEHDN-YLJYHZDGSA-N 2 1 356.514 2.615 20 30 FFEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001267257335 967492150 /nfs/dbraw/zinc/49/21/50/967492150.db2.gz ILCGALUXFIEHDN-YLJYHZDGSA-N 2 1 356.514 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001024448338 968918094 /nfs/dbraw/zinc/91/80/94/968918094.db2.gz JVPAYHYRXLIDNG-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001024448338 968918102 /nfs/dbraw/zinc/91/81/02/968918102.db2.gz JVPAYHYRXLIDNG-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001024448338 968918110 /nfs/dbraw/zinc/91/81/10/968918110.db2.gz JVPAYHYRXLIDNG-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087840001 970522074 /nfs/dbraw/zinc/52/20/74/970522074.db2.gz CRLHZIFQDXQTNU-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CC#Cc1ccccc1 ZINC001087840001 970522082 /nfs/dbraw/zinc/52/20/82/970522082.db2.gz CRLHZIFQDXQTNU-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CC#Cc1ccccc1 ZINC001087840001 970522091 /nfs/dbraw/zinc/52/20/91/970522091.db2.gz CRLHZIFQDXQTNU-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CC#Cc1ccccc1 ZINC001087840001 970522097 /nfs/dbraw/zinc/52/20/97/970522097.db2.gz CRLHZIFQDXQTNU-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000895526733 970700358 /nfs/dbraw/zinc/70/03/58/970700358.db2.gz QQPYXBVLAYITII-UHFFFAOYSA-N 2 1 365.481 2.533 20 30 FFEDMP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000895526733 970700364 /nfs/dbraw/zinc/70/03/64/970700364.db2.gz QQPYXBVLAYITII-UHFFFAOYSA-N 2 1 365.481 2.533 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262406343 972781508 /nfs/dbraw/zinc/78/15/08/972781508.db2.gz OPKLRHMGXLSSSJ-CFIQQJQHSA-N 2 1 362.562 2.760 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212802 973683045 /nfs/dbraw/zinc/68/30/45/973683045.db2.gz RAIZRHWENQZMTB-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212802 973683050 /nfs/dbraw/zinc/68/30/50/973683050.db2.gz RAIZRHWENQZMTB-FGTMMUONSA-N 2 1 353.938 2.640 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000305756463 1014168281 /nfs/dbraw/zinc/16/82/81/1014168281.db2.gz AZRSJCPIWVYTHQ-KRWDZBQOSA-N 2 1 360.502 2.531 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001087429172 975747838 /nfs/dbraw/zinc/74/78/38/975747838.db2.gz WHVQCUNSQGGLDU-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001087429172 975747844 /nfs/dbraw/zinc/74/78/44/975747844.db2.gz WHVQCUNSQGGLDU-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001087429172 975747851 /nfs/dbraw/zinc/74/78/51/975747851.db2.gz WHVQCUNSQGGLDU-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001087429172 975747860 /nfs/dbraw/zinc/74/78/60/975747860.db2.gz WHVQCUNSQGGLDU-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)c1 ZINC001075993517 976053014 /nfs/dbraw/zinc/05/30/14/976053014.db2.gz YTURUMBFUXTOOI-PZJWPPBQSA-N 2 1 371.444 2.552 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088791717 976303961 /nfs/dbraw/zinc/30/39/61/976303961.db2.gz XQKAXDXEDWYZLK-APWZRJJASA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088791717 976303971 /nfs/dbraw/zinc/30/39/71/976303971.db2.gz XQKAXDXEDWYZLK-APWZRJJASA-N 2 1 354.498 2.512 20 30 FFEDMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876724046 1014364733 /nfs/dbraw/zinc/36/47/33/1014364733.db2.gz MCZWQHPCFFZIOR-OAQYLSRUSA-N 2 1 368.525 2.716 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001269120603 978468922 /nfs/dbraw/zinc/46/89/22/978468922.db2.gz PZCGFHQOOMUYRS-QYZOEREBSA-N 2 1 361.917 2.569 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000905710382 980494039 /nfs/dbraw/zinc/49/40/39/980494039.db2.gz XBGAWNSHFHOUFB-MHTWAQMVSA-N 2 1 353.510 2.931 20 30 FFEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088620534 981870438 /nfs/dbraw/zinc/87/04/38/981870438.db2.gz OWTAFOMEDHHTGA-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088620534 981870444 /nfs/dbraw/zinc/87/04/44/981870444.db2.gz OWTAFOMEDHHTGA-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442734 984544980 /nfs/dbraw/zinc/54/49/80/984544980.db2.gz MVFKOVVMYCQENP-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442734 984544983 /nfs/dbraw/zinc/54/49/83/984544983.db2.gz MVFKOVVMYCQENP-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442734 984544987 /nfs/dbraw/zinc/54/49/87/984544987.db2.gz MVFKOVVMYCQENP-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107568217 984714855 /nfs/dbraw/zinc/71/48/55/984714855.db2.gz WIVPZIFQDSVBBT-WIYYLYMNSA-N 2 1 356.514 2.781 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107568217 984714860 /nfs/dbraw/zinc/71/48/60/984714860.db2.gz WIVPZIFQDSVBBT-WIYYLYMNSA-N 2 1 356.514 2.781 20 30 FFEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000997099477 985129518 /nfs/dbraw/zinc/12/95/18/985129518.db2.gz FXKSIQDHAIWSKB-CBGDNZLLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C2 ZINC000922389283 988538145 /nfs/dbraw/zinc/53/81/45/988538145.db2.gz SMIQZSBMABRPMY-YUMYIRISSA-N 2 1 371.525 2.938 20 30 FFEDMP CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCC[NH+]2CCCCC2)c1C ZINC000915975969 989718818 /nfs/dbraw/zinc/71/88/18/989718818.db2.gz YMFRVVNQTQOSEE-NRFANRHFSA-N 2 1 359.562 2.999 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000652349604 1015533533 /nfs/dbraw/zinc/53/35/33/1015533533.db2.gz UWWOLFCHDQMISZ-WFXMLNOXSA-N 2 1 359.514 2.692 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000652349604 1015533545 /nfs/dbraw/zinc/53/35/45/1015533545.db2.gz UWWOLFCHDQMISZ-WFXMLNOXSA-N 2 1 359.514 2.692 20 30 FFEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000920281630 990827762 /nfs/dbraw/zinc/82/77/62/990827762.db2.gz GBYFTAXLLDNACS-QFBILLFUSA-N 2 1 374.554 2.528 20 30 FFEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001484923442 991784891 /nfs/dbraw/zinc/78/48/91/991784891.db2.gz PXNJJOMBIKEGOR-UXHICEINSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079202544 991877946 /nfs/dbraw/zinc/87/79/46/991877946.db2.gz ZLTGWAXRIHPZRS-HBMCJLEFSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1c1ccccc1 ZINC001081146959 993699895 /nfs/dbraw/zinc/69/98/95/993699895.db2.gz SPECEPHQMYHDTM-AZUAARDMSA-N 2 1 364.493 2.532 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081178078 993738397 /nfs/dbraw/zinc/73/83/97/993738397.db2.gz GXZPPEJTFDGFOP-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090871090 997501105 /nfs/dbraw/zinc/50/11/05/997501105.db2.gz RAKZLHSQKZFROJ-PWRODBHTSA-N 2 1 371.525 2.638 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880879 997597983 /nfs/dbraw/zinc/59/79/83/997597983.db2.gz OMTGDZNXQSDWPL-DZFGPLHGSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)CC1 ZINC000844715968 998088692 /nfs/dbraw/zinc/08/86/92/998088692.db2.gz OTHVGPQZBLKQLL-XUVXKRRUSA-N 2 1 367.537 2.842 20 30 FFEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085203649 999156905 /nfs/dbraw/zinc/15/69/05/999156905.db2.gz URQGOLJMKNDWAF-ZJIFWQFVSA-N 2 1 372.351 2.642 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085333317 999380434 /nfs/dbraw/zinc/38/04/34/999380434.db2.gz KVBAPNZQOBTOSX-WOJBJXKFSA-N 2 1 368.525 2.807 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232452 1000373228 /nfs/dbraw/zinc/37/32/28/1000373228.db2.gz SONFOQBSMDEZOQ-FXAWDEMLSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232452 1000373233 /nfs/dbraw/zinc/37/32/33/1000373233.db2.gz SONFOQBSMDEZOQ-FXAWDEMLSA-N 2 1 369.509 2.839 20 30 FFEDMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001109724331 1000901361 /nfs/dbraw/zinc/90/13/61/1000901361.db2.gz NFTPVMWKMQKGQH-JLSDUUJJSA-N 2 1 374.554 2.819 20 30 FFEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001109724331 1000901369 /nfs/dbraw/zinc/90/13/69/1000901369.db2.gz NFTPVMWKMQKGQH-JLSDUUJJSA-N 2 1 374.554 2.819 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001109724331 1000901375 /nfs/dbraw/zinc/90/13/75/1000901375.db2.gz NFTPVMWKMQKGQH-JLSDUUJJSA-N 2 1 374.554 2.819 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)CC(C)(C)C ZINC001109724331 1000901379 /nfs/dbraw/zinc/90/13/79/1000901379.db2.gz NFTPVMWKMQKGQH-JLSDUUJJSA-N 2 1 374.554 2.819 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719374 1000906982 /nfs/dbraw/zinc/90/69/82/1000906982.db2.gz GRWXRMPYYXZICP-WQDJSCAQSA-N 2 1 372.513 2.960 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109719374 1000906985 /nfs/dbraw/zinc/90/69/85/1000906985.db2.gz GRWXRMPYYXZICP-WQDJSCAQSA-N 2 1 372.513 2.960 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110006037 1001279705 /nfs/dbraw/zinc/27/97/05/1001279705.db2.gz RYXUGKNAOIDOBA-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110006037 1001279712 /nfs/dbraw/zinc/27/97/12/1001279712.db2.gz RYXUGKNAOIDOBA-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034417 1002251716 /nfs/dbraw/zinc/25/17/16/1002251716.db2.gz CUHTUJVQBVRYQN-JFYQVNSESA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034417 1002251723 /nfs/dbraw/zinc/25/17/23/1002251723.db2.gz CUHTUJVQBVRYQN-JFYQVNSESA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034417 1002251727 /nfs/dbraw/zinc/25/17/27/1002251727.db2.gz CUHTUJVQBVRYQN-JFYQVNSESA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300242 1002628029 /nfs/dbraw/zinc/62/80/29/1002628029.db2.gz SVKBYFGOFPNSQI-XLIONFOSSA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300242 1002628034 /nfs/dbraw/zinc/62/80/34/1002628034.db2.gz SVKBYFGOFPNSQI-XLIONFOSSA-N 2 1 361.917 2.895 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303021 1002636024 /nfs/dbraw/zinc/63/60/24/1002636024.db2.gz NMYCUQOMDGPRHV-LMMKCTJWSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303021 1002636029 /nfs/dbraw/zinc/63/60/29/1002636029.db2.gz NMYCUQOMDGPRHV-LMMKCTJWSA-N 2 1 353.938 2.640 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001092658363 1003363614 /nfs/dbraw/zinc/36/36/14/1003363614.db2.gz RFOMQCDPARGTGL-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092658363 1003363626 /nfs/dbraw/zinc/36/36/26/1003363626.db2.gz RFOMQCDPARGTGL-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092658363 1003363640 /nfs/dbraw/zinc/36/36/40/1003363640.db2.gz RFOMQCDPARGTGL-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCc1c(F)c(F)c(C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])c(F)c1F ZINC001186739360 1003404328 /nfs/dbraw/zinc/40/43/28/1003404328.db2.gz OLIKIYQGOKGRJN-UHFFFAOYSA-N 2 1 374.382 2.649 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001092689947 1003492108 /nfs/dbraw/zinc/49/21/08/1003492108.db2.gz UDQKPYAXVOLTQI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001092689947 1003492115 /nfs/dbraw/zinc/49/21/15/1003492115.db2.gz UDQKPYAXVOLTQI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001092689947 1003492122 /nfs/dbraw/zinc/49/21/22/1003492122.db2.gz UDQKPYAXVOLTQI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001092689947 1003492128 /nfs/dbraw/zinc/49/21/28/1003492128.db2.gz UDQKPYAXVOLTQI-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001001422413 1016798758 /nfs/dbraw/zinc/79/87/58/1016798758.db2.gz OYQCBHZDUCSKBQ-LEWJYISDSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740930 1004719079 /nfs/dbraw/zinc/71/90/79/1004719079.db2.gz IXTJVYPQDZKKJR-GBESFXJTSA-N 2 1 359.514 2.749 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357710 1005810711 /nfs/dbraw/zinc/81/07/11/1005810711.db2.gz SLDBPSQKZHRIOW-UTKZUKDTSA-N 2 1 365.477 2.834 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858003 1006209364 /nfs/dbraw/zinc/20/93/64/1006209364.db2.gz MJTHXJXJVQSKDW-SFHVURJKSA-N 2 1 353.510 2.538 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000853673570 1006500122 /nfs/dbraw/zinc/50/01/22/1006500122.db2.gz XNKADKSNPRTYQX-IBGZPJMESA-N 2 1 374.529 2.548 20 30 FFEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110684813 1006812455 /nfs/dbraw/zinc/81/24/55/1006812455.db2.gz ZOAUXWDVAWUWFB-CBPXPLCBSA-N 2 1 365.521 2.634 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110684813 1006812470 /nfs/dbraw/zinc/81/24/70/1006812470.db2.gz ZOAUXWDVAWUWFB-CBPXPLCBSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110684813 1006812483 /nfs/dbraw/zinc/81/24/83/1006812483.db2.gz ZOAUXWDVAWUWFB-CBPXPLCBSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110684813 1006812498 /nfs/dbraw/zinc/81/24/98/1006812498.db2.gz ZOAUXWDVAWUWFB-CBPXPLCBSA-N 2 1 365.521 2.634 20 30 FFEDMP C#CCCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000822952211 1008835492 /nfs/dbraw/zinc/83/54/92/1008835492.db2.gz OGZCGYGVFZBDPJ-FQEVSTJZSA-N 2 1 371.525 2.577 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869219 1009496324 /nfs/dbraw/zinc/49/63/24/1009496324.db2.gz WXLRMLWIJSZUSE-MJGOQNOKSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869219 1009496332 /nfs/dbraw/zinc/49/63/32/1009496332.db2.gz WXLRMLWIJSZUSE-MJGOQNOKSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869219 1009496343 /nfs/dbraw/zinc/49/63/43/1009496343.db2.gz WXLRMLWIJSZUSE-MJGOQNOKSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869219 1009496350 /nfs/dbraw/zinc/49/63/50/1009496350.db2.gz WXLRMLWIJSZUSE-MJGOQNOKSA-N 2 1 355.482 2.894 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276246 1009777997 /nfs/dbraw/zinc/77/79/97/1009777997.db2.gz HSIIPLVHHOAYCK-WMZOPIPTSA-N 2 1 367.534 2.641 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C12CC(C1)CCN2Cc1ccccc1 ZINC001181492908 1010116448 /nfs/dbraw/zinc/11/64/48/1010116448.db2.gz AHUHOSONLOGLGE-FUHYEJFZSA-N 2 1 353.510 2.808 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC(C1)CC[NH+]2Cc1ccccc1 ZINC001181492908 1010116457 /nfs/dbraw/zinc/11/64/57/1010116457.db2.gz AHUHOSONLOGLGE-FUHYEJFZSA-N 2 1 353.510 2.808 20 30 FFEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C12CC(C1)CC[NH+]2Cc1ccccc1 ZINC001181492908 1010116463 /nfs/dbraw/zinc/11/64/63/1010116463.db2.gz AHUHOSONLOGLGE-FUHYEJFZSA-N 2 1 353.510 2.808 20 30 FFEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181492908 1010116471 /nfs/dbraw/zinc/11/64/71/1010116471.db2.gz AHUHOSONLOGLGE-FUHYEJFZSA-N 2 1 353.510 2.808 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(CC)CC)CC2 ZINC001094436602 1011126855 /nfs/dbraw/zinc/12/68/55/1011126855.db2.gz YKGYQGAYMSZGRW-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(CC)CC)CC2 ZINC001094436602 1011126858 /nfs/dbraw/zinc/12/68/58/1011126858.db2.gz YKGYQGAYMSZGRW-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(CC)CC)CC2 ZINC001094436602 1011126861 /nfs/dbraw/zinc/12/68/61/1011126861.db2.gz YKGYQGAYMSZGRW-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(CC)CC)CC2 ZINC001094436602 1011126866 /nfs/dbraw/zinc/12/68/66/1011126866.db2.gz YKGYQGAYMSZGRW-TUNNFDKTSA-N 2 1 359.558 2.881 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250736 1011724982 /nfs/dbraw/zinc/72/49/82/1011724982.db2.gz GSIWZGIXNBUXJY-SFTDATJTSA-N 2 1 366.546 2.561 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250736 1011724994 /nfs/dbraw/zinc/72/49/94/1011724994.db2.gz GSIWZGIXNBUXJY-SFTDATJTSA-N 2 1 366.546 2.561 20 30 FFEDMP CCCCCCCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275119800 1011969801 /nfs/dbraw/zinc/96/98/01/1011969801.db2.gz XJGIGRUYTKLPHA-FQEVSTJZSA-N 2 1 353.551 2.602 20 30 FFEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980269 1012149064 /nfs/dbraw/zinc/14/90/64/1012149064.db2.gz VTNMRPFIIPUEEQ-OWSLCNJRSA-N 2 1 364.534 2.986 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303873822 1012475856 /nfs/dbraw/zinc/47/58/56/1012475856.db2.gz GXESTBXGQKBRTA-UXHICEINSA-N 3 1 357.546 2.521 20 30 FFEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873822 1012475874 /nfs/dbraw/zinc/47/58/74/1012475874.db2.gz GXESTBXGQKBRTA-UXHICEINSA-N 2 1 357.546 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000303873822 1012475886 /nfs/dbraw/zinc/47/58/86/1012475886.db2.gz GXESTBXGQKBRTA-UXHICEINSA-N 2 1 357.546 2.521 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1OC1CCCC1 ZINC000304665195 1012810344 /nfs/dbraw/zinc/81/03/44/1012810344.db2.gz KQCIHUHJEVXYIE-KRWDZBQOSA-N 2 1 374.529 2.905 20 30 FFEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000924719224 1017446073 /nfs/dbraw/zinc/44/60/73/1017446073.db2.gz ZKPNCQAISFBYAQ-KRWDZBQOSA-N 2 1 372.513 2.765 20 30 FFEDMP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001096022495 1019954978 /nfs/dbraw/zinc/95/49/78/1019954978.db2.gz UQMNUYKLXZRVQU-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001096022495 1019954982 /nfs/dbraw/zinc/95/49/82/1019954982.db2.gz UQMNUYKLXZRVQU-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001096022495 1019954988 /nfs/dbraw/zinc/95/49/88/1019954988.db2.gz UQMNUYKLXZRVQU-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001096022495 1019954993 /nfs/dbraw/zinc/95/49/93/1019954993.db2.gz UQMNUYKLXZRVQU-AABGKKOBSA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099345755 1022338375 /nfs/dbraw/zinc/33/83/75/1022338375.db2.gz RWAWFABZGLKQJN-ZIAGYGMSSA-N 2 1 367.843 2.594 20 30 FFEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OCc2ccccc2)cc1 ZINC001218207330 1033048178 /nfs/dbraw/zinc/04/81/78/1033048178.db2.gz PKEIYACDVKCUDR-SFTDATJTSA-N 2 1 366.461 2.597 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197230 1022367561 /nfs/dbraw/zinc/36/75/61/1022367561.db2.gz NNMSYIICKMANDD-RLLQIKCJSA-N 2 1 365.562 2.789 20 30 FFEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693830 1033120478 /nfs/dbraw/zinc/12/04/78/1033120478.db2.gz COWJGGSRCZJUKO-NJYVYQBISA-N 2 1 359.558 2.997 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001101437898 1024741102 /nfs/dbraw/zinc/74/11/02/1024741102.db2.gz VMLJZSALYRUNAK-GGAORHGYSA-N 2 1 367.537 2.550 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001103436073 1027482155 /nfs/dbraw/zinc/48/21/55/1027482155.db2.gz JLGGNILAMAFEJA-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001103436073 1027482159 /nfs/dbraw/zinc/48/21/59/1027482159.db2.gz JLGGNILAMAFEJA-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001103436073 1027482161 /nfs/dbraw/zinc/48/21/61/1027482161.db2.gz JLGGNILAMAFEJA-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773804 1028181679 /nfs/dbraw/zinc/18/16/79/1028181679.db2.gz RUJVECCHQWVMOC-WOJBJXKFSA-N 2 1 365.562 2.529 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001157389991 1029573664 /nfs/dbraw/zinc/57/36/64/1029573664.db2.gz KDOPCCIKFYWCMB-RBUKOAKNSA-N 2 1 361.917 2.937 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001157389991 1029573666 /nfs/dbraw/zinc/57/36/66/1029573666.db2.gz KDOPCCIKFYWCMB-RBUKOAKNSA-N 2 1 361.917 2.937 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC ZINC001157389991 1029573668 /nfs/dbraw/zinc/57/36/68/1029573668.db2.gz KDOPCCIKFYWCMB-RBUKOAKNSA-N 2 1 361.917 2.937 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC ZINC001157389991 1029573669 /nfs/dbraw/zinc/57/36/69/1029573669.db2.gz KDOPCCIKFYWCMB-RBUKOAKNSA-N 2 1 361.917 2.937 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167398 1030131349 /nfs/dbraw/zinc/13/13/49/1030131349.db2.gz NXDRDORHVTWNNW-HUUCEWRRSA-N 2 1 363.468 2.909 20 30 FFEDMP C[NH+](C)CCCNC(=S)NN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841624785 1030376266 /nfs/dbraw/zinc/37/62/66/1030376266.db2.gz WISXKJMCGIGXLC-LJQANCHMSA-N 2 1 373.570 2.758 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112404260 1030754428 /nfs/dbraw/zinc/75/44/28/1030754428.db2.gz PMPZIBJYYOQBCM-FUDKSRODSA-N 2 1 371.569 2.883 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112404260 1030754442 /nfs/dbraw/zinc/75/44/42/1030754442.db2.gz PMPZIBJYYOQBCM-FUDKSRODSA-N 2 1 371.569 2.883 20 30 FFEDMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C#N)CCOCC2)CC1 ZINC001204028013 1031046334 /nfs/dbraw/zinc/04/63/34/1031046334.db2.gz MYNJDJCGEVSOOA-UHFFFAOYSA-N 2 1 356.514 2.629 20 30 FFEDMP C[C@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000843406895 1031384615 /nfs/dbraw/zinc/38/46/15/1031384615.db2.gz MRPJYDQYRJRBPL-OAQYLSRUSA-N 2 1 360.465 2.603 20 30 FFEDMP C[C@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000843406895 1031384629 /nfs/dbraw/zinc/38/46/29/1031384629.db2.gz MRPJYDQYRJRBPL-OAQYLSRUSA-N 2 1 360.465 2.603 20 30 FFEDMP C=CCCCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001149739787 1031584160 /nfs/dbraw/zinc/58/41/60/1031584160.db2.gz OLBWCMFMOUZRMV-HSALFYBXSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149739787 1031584173 /nfs/dbraw/zinc/58/41/73/1031584173.db2.gz OLBWCMFMOUZRMV-HSALFYBXSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149739787 1031584184 /nfs/dbraw/zinc/58/41/84/1031584184.db2.gz OLBWCMFMOUZRMV-HSALFYBXSA-N 2 1 365.562 2.670 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCCCC2)CC[N@H+]1C ZINC001115543338 1031815925 /nfs/dbraw/zinc/81/59/25/1031815925.db2.gz BPQPBCAVBRIVFI-YLJYHZDGSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1F ZINC001205686090 1031936481 /nfs/dbraw/zinc/93/64/81/1031936481.db2.gz RXBCBTWUZAVPHF-AZUAARDMSA-N 2 1 370.472 2.881 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]21 ZINC001223904216 1033637118 /nfs/dbraw/zinc/63/71/18/1033637118.db2.gz RDDSWLHMHATWRK-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C[C@@H]21 ZINC001223904216 1033637124 /nfs/dbraw/zinc/63/71/24/1033637124.db2.gz RDDSWLHMHATWRK-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904216 1033637131 /nfs/dbraw/zinc/63/71/31/1033637131.db2.gz RDDSWLHMHATWRK-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C[C@@H]21 ZINC001223904216 1033637136 /nfs/dbraw/zinc/63/71/36/1033637136.db2.gz RDDSWLHMHATWRK-GIVPXCGWSA-N 2 1 353.510 2.626 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001220726059 1034358428 /nfs/dbraw/zinc/35/84/28/1034358428.db2.gz HYYXZSJCDXCVPP-AABGKKOBSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001220726059 1034358441 /nfs/dbraw/zinc/35/84/41/1034358441.db2.gz HYYXZSJCDXCVPP-AABGKKOBSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001220726059 1034358452 /nfs/dbraw/zinc/35/84/52/1034358452.db2.gz HYYXZSJCDXCVPP-AABGKKOBSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277734545 1036153590 /nfs/dbraw/zinc/15/35/90/1036153590.db2.gz JSAWJPXFIMGLEH-PZJWPPBQSA-N 2 1 367.578 2.584 20 30 FFEDMP C=CCN(CC[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)C(=O)OCC ZINC001235377123 1037514053 /nfs/dbraw/zinc/51/40/53/1037514053.db2.gz AFZQUKIEYISZOJ-CTNGQTDRSA-N 2 1 357.498 2.710 20 30 FFEDMP C=CCN(CC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)C(=O)OCC ZINC001235377123 1037514064 /nfs/dbraw/zinc/51/40/64/1037514064.db2.gz AFZQUKIEYISZOJ-CTNGQTDRSA-N 2 1 357.498 2.710 20 30 FFEDMP C=C1C[C@@H]2CC([NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4C)C3)C[C@H](C1)C2 ZINC001257893662 1039043784 /nfs/dbraw/zinc/04/37/84/1039043784.db2.gz XBANQPWAOOIHLY-QDFJYPBRSA-N 2 1 355.530 2.808 20 30 FFEDMP C=C1C[C@@H]2CC([NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4C)C3)C[C@H](C1)C2 ZINC001257893662 1039043805 /nfs/dbraw/zinc/04/38/05/1039043805.db2.gz XBANQPWAOOIHLY-QDFJYPBRSA-N 2 1 355.530 2.808 20 30 FFEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[NH+]4C)C3)C[C@H](C1)C2 ZINC001257893662 1039043817 /nfs/dbraw/zinc/04/38/17/1039043817.db2.gz XBANQPWAOOIHLY-QDFJYPBRSA-N 2 1 355.530 2.808 20 30 FFEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[NH+]4C)C3)C[C@H](C1)C2 ZINC001257893662 1039043833 /nfs/dbraw/zinc/04/38/33/1039043833.db2.gz XBANQPWAOOIHLY-QDFJYPBRSA-N 2 1 355.530 2.808 20 30 FFEDMP COc1ccc(Cn2nc(C(=[NH2+])N[C@@H]3CCC[NH2+]C3)c3ccccc32)cc1 ZINC001246486453 1039369226 /nfs/dbraw/zinc/36/92/26/1039369226.db2.gz BPQALUALRXNBPX-MRXNPFEDSA-N 2 1 363.465 2.551 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219227 1040345743 /nfs/dbraw/zinc/34/57/43/1040345743.db2.gz HTPZPGOIZWDMNM-MISYRCLQSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219227 1040345758 /nfs/dbraw/zinc/34/57/58/1040345758.db2.gz HTPZPGOIZWDMNM-MISYRCLQSA-N 2 1 365.562 2.811 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219227 1040345771 /nfs/dbraw/zinc/34/57/71/1040345771.db2.gz HTPZPGOIZWDMNM-MISYRCLQSA-N 2 1 365.562 2.811 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252997 1040377698 /nfs/dbraw/zinc/37/76/98/1040377698.db2.gz WWRCHGTZRDFHNE-QZTJIDSGSA-N 2 1 353.551 2.647 20 30 FFEDMP N#Cc1ccc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH]c2c1 ZINC001249427353 1040758271 /nfs/dbraw/zinc/75/82/71/1040758271.db2.gz ALNNYBISXUZZKS-UHFFFAOYSA-N 2 1 374.492 2.890 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001264066631 1042609880 /nfs/dbraw/zinc/60/98/80/1042609880.db2.gz UJUVYUAEYQVACA-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001264066631 1042609882 /nfs/dbraw/zinc/60/98/82/1042609882.db2.gz UJUVYUAEYQVACA-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CC[NH+]1Cc1ccc(C#N)cc1F ZINC001264066631 1042609885 /nfs/dbraw/zinc/60/98/85/1042609885.db2.gz UJUVYUAEYQVACA-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CC[NH+]1Cc1ccc(C#N)cc1F ZINC001264066631 1042609889 /nfs/dbraw/zinc/60/98/89/1042609889.db2.gz UJUVYUAEYQVACA-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001264578986 1042727224 /nfs/dbraw/zinc/72/72/24/1042727224.db2.gz JPDSPDHROBQMLN-VAMGGRTRSA-N 2 1 365.562 2.670 20 30 FFEDMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001264578986 1042727231 /nfs/dbraw/zinc/72/72/31/1042727231.db2.gz JPDSPDHROBQMLN-VAMGGRTRSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264595986 1042732515 /nfs/dbraw/zinc/73/25/15/1042732515.db2.gz DHJIIIZEHSPJGA-RTBURBONSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264595986 1042732521 /nfs/dbraw/zinc/73/25/21/1042732521.db2.gz DHJIIIZEHSPJGA-RTBURBONSA-N 2 1 359.489 2.770 20 30 FFEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc(O)c2)CC3)cc1C#N ZINC001279139685 1042915173 /nfs/dbraw/zinc/91/51/73/1042915173.db2.gz MNPLKAOJDRJELE-UHFFFAOYSA-N 2 1 350.466 2.700 20 30 FFEDMP C=CCCCC[N@H+]1CCc2n[nH]c(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001279720346 1043525965 /nfs/dbraw/zinc/52/59/65/1043525965.db2.gz UZGJTGFEEMARDD-UHFFFAOYSA-N 2 1 361.534 2.538 20 30 FFEDMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1C#N ZINC001238407356 1043690371 /nfs/dbraw/zinc/69/03/71/1043690371.db2.gz MOWYTXXRMLLQGB-RTWAWAEBSA-N 2 1 362.477 2.916 20 30 FFEDMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1C#N ZINC001238407356 1043690376 /nfs/dbraw/zinc/69/03/76/1043690376.db2.gz MOWYTXXRMLLQGB-RTWAWAEBSA-N 2 1 362.477 2.916 20 30 FFEDMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1C#N ZINC001238407356 1043690386 /nfs/dbraw/zinc/69/03/86/1043690386.db2.gz MOWYTXXRMLLQGB-RTWAWAEBSA-N 2 1 362.477 2.916 20 30 FFEDMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1C#N ZINC001238407356 1043690390 /nfs/dbraw/zinc/69/03/90/1043690390.db2.gz MOWYTXXRMLLQGB-RTWAWAEBSA-N 2 1 362.477 2.916 20 30 FFEDMP C=CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC4CC[NH+]3CC4)CC[C@@H]2C1 ZINC001278269587 1043828360 /nfs/dbraw/zinc/82/83/60/1043828360.db2.gz MBNSBKOUEBJGKS-QHAWAJNXSA-N 2 1 359.558 2.997 20 30 FFEDMP CCc1cc(CN2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)ccc1C#N ZINC001238760705 1043875102 /nfs/dbraw/zinc/87/51/02/1043875102.db2.gz OHFKQNPCLCNGNA-JOCHJYFZSA-N 2 1 371.525 2.681 20 30 FFEDMP CCc1cc(CN2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)ccc1C#N ZINC001238760705 1043875116 /nfs/dbraw/zinc/87/51/16/1043875116.db2.gz OHFKQNPCLCNGNA-JOCHJYFZSA-N 2 1 371.525 2.681 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001280814944 1044740890 /nfs/dbraw/zinc/74/08/90/1044740890.db2.gz VKYVIOBBKOCZQR-LEWJYISDSA-N 2 1 355.526 2.549 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001280814944 1044740901 /nfs/dbraw/zinc/74/09/01/1044740901.db2.gz VKYVIOBBKOCZQR-LEWJYISDSA-N 2 1 355.526 2.549 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001280814944 1044740907 /nfs/dbraw/zinc/74/09/07/1044740907.db2.gz VKYVIOBBKOCZQR-LEWJYISDSA-N 2 1 355.526 2.549 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001316797227 1045012792 /nfs/dbraw/zinc/01/27/92/1045012792.db2.gz JILLQNYMLMQWAC-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001316797227 1045012810 /nfs/dbraw/zinc/01/28/10/1045012810.db2.gz JILLQNYMLMQWAC-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001316797227 1045012820 /nfs/dbraw/zinc/01/28/20/1045012820.db2.gz JILLQNYMLMQWAC-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001316797227 1045012830 /nfs/dbraw/zinc/01/28/30/1045012830.db2.gz JILLQNYMLMQWAC-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc2ccccc2C#N)C2CC2)CC[N@H+]1C ZINC001283503732 1046391707 /nfs/dbraw/zinc/39/17/07/1046391707.db2.gz VVFGEHBTQBBVMP-HBMCJLEFSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001330054798 1049022458 /nfs/dbraw/zinc/02/24/58/1049022458.db2.gz RAYMPRWQVOJXAZ-UIFIKXQLSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339866428 1050283413 /nfs/dbraw/zinc/28/34/13/1050283413.db2.gz DGJPJGKMQSORDI-UHFFFAOYSA-N 2 1 372.561 2.905 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342297107 1050890533 /nfs/dbraw/zinc/89/05/33/1050890533.db2.gz AWWJQWFFASFMHD-KRWDZBQOSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342297107 1050890539 /nfs/dbraw/zinc/89/05/39/1050890539.db2.gz AWWJQWFFASFMHD-KRWDZBQOSA-N 2 1 358.534 2.686 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001343428803 1052226580 /nfs/dbraw/zinc/22/65/80/1052226580.db2.gz OIMFGFZRVXKYJZ-GOSISDBHSA-N 2 1 374.577 2.832 20 30 FFEDMP C=CCn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC001356148242 1055336161 /nfs/dbraw/zinc/33/61/61/1055336161.db2.gz JETGJANMUDWAJH-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356556935 1055577025 /nfs/dbraw/zinc/57/70/25/1055577025.db2.gz LEHHQXCQWXAPFC-GOSISDBHSA-N 2 1 374.577 2.974 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC001200071352 1055596868 /nfs/dbraw/zinc/59/68/68/1055596868.db2.gz UBMAIASUMWDRNQ-IBGZPJMESA-N 2 1 372.513 2.626 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC001200071352 1055596878 /nfs/dbraw/zinc/59/68/78/1055596878.db2.gz UBMAIASUMWDRNQ-IBGZPJMESA-N 2 1 372.513 2.626 20 30 FFEDMP N#Cc1c(F)cc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001357166032 1055801396 /nfs/dbraw/zinc/80/13/96/1055801396.db2.gz KAAMDCPBEJIHLT-FQEVSTJZSA-N 2 1 357.404 2.563 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001500347875 1058471891 /nfs/dbraw/zinc/47/18/91/1058471891.db2.gz OQHWYBYCUWRXMK-XJUOHMSHSA-N 2 1 367.537 2.597 20 30 FFEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200548880 1058539304 /nfs/dbraw/zinc/53/93/04/1058539304.db2.gz XPYLJBGAWFRDTB-CEXWTWQISA-N 2 1 353.551 2.504 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001479637503 1062677498 /nfs/dbraw/zinc/67/74/98/1062677498.db2.gz RHSNHJCXLXFHHN-KSZLIROESA-N 2 1 362.543 2.675 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001479729362 1062967325 /nfs/dbraw/zinc/96/73/25/1062967325.db2.gz UEYBHSGOVUPUAE-XLIONFOSSA-N 2 1 354.498 2.513 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001498045182 1063789139 /nfs/dbraw/zinc/78/91/39/1063789139.db2.gz JLUOIAYVUNNPBF-ZYSHUDEJSA-N 2 1 361.917 2.516 20 30 FFEDMP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]C2)n1CCCn1cc[nH+]c1C ZINC001574834344 1078086177 /nfs/dbraw/zinc/08/61/77/1078086177.db2.gz AWIJVSBAWFXKGW-GOSISDBHSA-N 2 1 371.533 2.743 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566003772 1076837416 /nfs/dbraw/zinc/83/74/16/1076837416.db2.gz KKHUCBYDUNUZTL-NHCUHLMSSA-N 2 1 371.500 2.609 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566003772 1076837419 /nfs/dbraw/zinc/83/74/19/1076837419.db2.gz KKHUCBYDUNUZTL-NHCUHLMSSA-N 2 1 371.500 2.609 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001566787146 1076982444 /nfs/dbraw/zinc/98/24/44/1076982444.db2.gz RLFSFRHOYWWROJ-PCCBWWKXSA-N 2 1 355.526 2.911 20 30 FFEDMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001570778842 1077230245 /nfs/dbraw/zinc/23/02/45/1077230245.db2.gz AIGQJPMYIUKLSL-HKBOAZHASA-N 2 1 357.542 2.981 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)CCC[NH2+]1 ZINC001574504492 1078003922 /nfs/dbraw/zinc/00/39/22/1078003922.db2.gz JHVJXHFENZQQBG-PSHVLCQKSA-N 2 1 353.510 2.642 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)CCC[NH2+]1 ZINC001574504492 1078003928 /nfs/dbraw/zinc/00/39/28/1078003928.db2.gz JHVJXHFENZQQBG-PSHVLCQKSA-N 2 1 353.510 2.642 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000328797560 258120916 /nfs/dbraw/zinc/12/09/16/258120916.db2.gz VYBJOGBYNZVXQV-IBGZPJMESA-N 2 1 368.525 2.857 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000066675646 506602883 /nfs/dbraw/zinc/60/28/83/506602883.db2.gz DYJAJQCETDSKMB-UHFFFAOYSA-N 2 1 367.537 2.702 20 30 FFEDMP COc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1C#N ZINC000367107268 512340161 /nfs/dbraw/zinc/34/01/61/512340161.db2.gz MQPVEVFNLAXHCD-UHFFFAOYSA-N 2 1 351.454 2.732 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377624380 512360018 /nfs/dbraw/zinc/36/00/18/512360018.db2.gz JBDAVWNYPRAAKO-FXAWDEMLSA-N 2 1 356.514 2.578 20 30 FFEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1OC ZINC000093133417 508122932 /nfs/dbraw/zinc/12/29/32/508122932.db2.gz VAEPWIFRFMOWSD-FQEVSTJZSA-N 2 1 373.541 2.862 20 30 FFEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)n2c1 ZINC000123617666 508716190 /nfs/dbraw/zinc/71/61/90/508716190.db2.gz RYYZAYKZRFJAJS-FQEVSTJZSA-N 2 1 359.477 2.860 20 30 FFEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)n2c1 ZINC000123617666 508716193 /nfs/dbraw/zinc/71/61/93/508716193.db2.gz RYYZAYKZRFJAJS-FQEVSTJZSA-N 2 1 359.477 2.860 20 30 FFEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826527 508796193 /nfs/dbraw/zinc/79/61/93/508796193.db2.gz BJPBSHRRJZTDAV-PBHICJAKSA-N 2 1 372.538 2.853 20 30 FFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826527 508796196 /nfs/dbraw/zinc/79/61/96/508796196.db2.gz BJPBSHRRJZTDAV-PBHICJAKSA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826527 508796201 /nfs/dbraw/zinc/79/62/01/508796201.db2.gz BJPBSHRRJZTDAV-PBHICJAKSA-N 2 1 372.538 2.853 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000139826527 508796203 /nfs/dbraw/zinc/79/62/03/508796203.db2.gz BJPBSHRRJZTDAV-PBHICJAKSA-N 2 1 372.538 2.853 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000130848499 508855268 /nfs/dbraw/zinc/85/52/68/508855268.db2.gz ZPVOBNZISJQFIA-GNZRSQJKSA-N 2 1 359.518 2.833 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000130848499 508855271 /nfs/dbraw/zinc/85/52/71/508855271.db2.gz ZPVOBNZISJQFIA-GNZRSQJKSA-N 2 1 359.518 2.833 20 30 FFEDMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N(C)CCC#N ZINC000161184882 509082877 /nfs/dbraw/zinc/08/28/77/509082877.db2.gz YBGSOQHJZMWGMK-KRWDZBQOSA-N 2 1 371.529 2.637 20 30 FFEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264860083 509744232 /nfs/dbraw/zinc/74/42/32/509744232.db2.gz QBEBHNLPHDPPMM-OAQYLSRUSA-N 2 1 365.525 2.608 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281688 510406035 /nfs/dbraw/zinc/40/60/35/510406035.db2.gz CECLYNWSEUVHBD-HLAWJBBLSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281688 510406043 /nfs/dbraw/zinc/40/60/43/510406043.db2.gz CECLYNWSEUVHBD-HLAWJBBLSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281688 510406049 /nfs/dbraw/zinc/40/60/49/510406049.db2.gz CECLYNWSEUVHBD-HLAWJBBLSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000246281688 510406057 /nfs/dbraw/zinc/40/60/57/510406057.db2.gz CECLYNWSEUVHBD-HLAWJBBLSA-N 2 1 371.525 2.884 20 30 FFEDMP CC(C)(CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000266221449 510468189 /nfs/dbraw/zinc/46/81/89/510468189.db2.gz RFRUIROEGGNMQE-IBGZPJMESA-N 2 1 356.514 2.803 20 30 FFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181692843 510542679 /nfs/dbraw/zinc/54/26/79/510542679.db2.gz NJZRFGWEDVYZQG-QGZVFWFLSA-N 3 1 351.498 2.954 20 30 FFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000172247196 510623596 /nfs/dbraw/zinc/62/35/96/510623596.db2.gz UYZPNIGJTJOFJG-UHFFFAOYSA-N 2 1 354.498 2.512 20 30 FFEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000172247196 510623601 /nfs/dbraw/zinc/62/36/01/510623601.db2.gz UYZPNIGJTJOFJG-UHFFFAOYSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246885268 510726511 /nfs/dbraw/zinc/72/65/11/510726511.db2.gz QRVNRKHWGFCZAP-ZIFCJYIRSA-N 2 1 358.530 2.666 20 30 FFEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000330303248 510960580 /nfs/dbraw/zinc/96/05/80/510960580.db2.gz PAWVOMLFDPKEQD-QZTJIDSGSA-N 2 1 359.518 2.700 20 30 FFEDMP C=C(C)COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000282469858 510990769 /nfs/dbraw/zinc/99/07/69/510990769.db2.gz UPSJECDFTNVREV-UHFFFAOYSA-N 2 1 361.530 2.766 20 30 FFEDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279379110 511063103 /nfs/dbraw/zinc/06/31/03/511063103.db2.gz JXTVDPSHPWQAGS-IBGZPJMESA-N 2 1 352.486 2.775 20 30 FFEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279379110 511063106 /nfs/dbraw/zinc/06/31/06/511063106.db2.gz JXTVDPSHPWQAGS-IBGZPJMESA-N 2 1 352.486 2.775 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299002270 511480672 /nfs/dbraw/zinc/48/06/72/511480672.db2.gz QLQVJEBFJUOFOL-DJPFJPOOSA-N 2 1 366.509 2.906 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299002270 511480679 /nfs/dbraw/zinc/48/06/79/511480679.db2.gz QLQVJEBFJUOFOL-DJPFJPOOSA-N 2 1 366.509 2.906 20 30 FFEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000303863640 511754411 /nfs/dbraw/zinc/75/44/11/511754411.db2.gz AKIHUOZGEREFAM-SFHVURJKSA-N 2 1 352.482 2.986 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000370708011 513064389 /nfs/dbraw/zinc/06/43/89/513064389.db2.gz GJNDRBLVMWTJLX-ICSRJNTNSA-N 2 1 373.541 2.718 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000370708011 513064390 /nfs/dbraw/zinc/06/43/90/513064390.db2.gz GJNDRBLVMWTJLX-ICSRJNTNSA-N 2 1 373.541 2.718 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000424136383 514395578 /nfs/dbraw/zinc/39/55/78/514395578.db2.gz AMRDZYGCHSITRG-QZTJIDSGSA-N 2 1 362.905 2.832 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000424136383 514395583 /nfs/dbraw/zinc/39/55/83/514395583.db2.gz AMRDZYGCHSITRG-QZTJIDSGSA-N 2 1 362.905 2.832 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475453790 514670824 /nfs/dbraw/zinc/67/08/24/514670824.db2.gz ZLDYVHJCNSTELT-NHCUHLMSSA-N 2 1 370.541 2.948 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000484082535 516292876 /nfs/dbraw/zinc/29/28/76/516292876.db2.gz RJAZMHXLAQNEBW-PMACEKPBSA-N 2 1 356.510 2.628 20 30 FFEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)c2cccs2)CC1 ZINC000591500974 519932771 /nfs/dbraw/zinc/93/27/71/519932771.db2.gz ONINBPYXDCGDDM-GOSISDBHSA-N 2 1 358.486 2.837 20 30 FFEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878535 519944545 /nfs/dbraw/zinc/94/45/45/519944545.db2.gz YFWUPXMSVNFWSQ-CQSZACIVSA-N 2 1 372.538 2.853 20 30 FFEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878535 519944551 /nfs/dbraw/zinc/94/45/51/519944551.db2.gz YFWUPXMSVNFWSQ-CQSZACIVSA-N 2 1 372.538 2.853 20 30 FFEDMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439577 519965689 /nfs/dbraw/zinc/96/56/89/519965689.db2.gz XLZLGLCEUGOESA-FQEVSTJZSA-N 2 1 356.514 2.768 20 30 FFEDMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439865 519967691 /nfs/dbraw/zinc/96/76/91/519967691.db2.gz VOGUGJDTVZBEOB-VQTJNVASSA-N 2 1 356.514 2.768 20 30 FFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000603110677 520085972 /nfs/dbraw/zinc/08/59/72/520085972.db2.gz OWIKBSLLIACUTQ-KRWDZBQOSA-N 2 1 360.527 2.923 20 30 FFEDMP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000592471132 520403751 /nfs/dbraw/zinc/40/37/51/520403751.db2.gz ZGRQBQRRPDPHLF-DPVAKWRKSA-N 2 1 369.509 2.995 20 30 FFEDMP C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599327043 521153141 /nfs/dbraw/zinc/15/31/41/521153141.db2.gz FRKIGZDOLZFLMK-OAQYLSRUSA-N 2 1 371.525 2.654 20 30 FFEDMP C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599327043 521153148 /nfs/dbraw/zinc/15/31/48/521153148.db2.gz FRKIGZDOLZFLMK-OAQYLSRUSA-N 2 1 371.525 2.654 20 30 FFEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599662091 521375020 /nfs/dbraw/zinc/37/50/20/521375020.db2.gz YCRIWNVSTGXEDI-OAQYLSRUSA-N 2 1 367.493 2.882 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C[C@H](C)O1 ZINC000602510412 521386218 /nfs/dbraw/zinc/38/62/18/521386218.db2.gz NNRJQUPGUVOHLP-CALCHBBNSA-N 2 1 350.466 2.852 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)CC2)CC1 ZINC000594296430 521544263 /nfs/dbraw/zinc/54/42/63/521544263.db2.gz NLSLFYABJHXZOL-UWJYYQICSA-N 2 1 360.546 2.771 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262057219 729657993 /nfs/dbraw/zinc/65/79/93/729657993.db2.gz XWFAAVUWTJAVPG-CZUORRHYSA-N 2 1 370.925 2.835 20 30 FFEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000303983966 729736395 /nfs/dbraw/zinc/73/63/95/729736395.db2.gz RSGPRHWWDYVPNC-ZDUSSCGKSA-N 2 1 373.328 2.724 20 30 FFEDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902720870 735985605 /nfs/dbraw/zinc/98/56/05/735985605.db2.gz ORAKYIHSBWHITR-QAPCUYQASA-N 2 1 355.511 2.654 20 30 FFEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000764626343 737036501 /nfs/dbraw/zinc/03/65/01/737036501.db2.gz ZMTVJJNASGOVKX-PBHICJAKSA-N 2 1 353.869 2.706 20 30 FFEDMP C#CC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000830343489 745341100 /nfs/dbraw/zinc/34/11/00/745341100.db2.gz XFVFQWPAUBKODE-UHFFFAOYSA-N 2 1 357.523 2.519 20 30 FFEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cc(F)ccc1F ZINC000262305165 971754846 /nfs/dbraw/zinc/75/48/46/971754846.db2.gz RGPOMDHDAZOQIX-KRWDZBQOSA-N 2 1 374.435 2.983 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C(C)(C)C1 ZINC000974603518 972036130 /nfs/dbraw/zinc/03/61/30/972036130.db2.gz OGETXYQQTFCBHF-KZNAEPCWSA-N 2 1 356.514 2.557 20 30 FFEDMP C=CCN1c2ccccc2C2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275881226 1013132962 /nfs/dbraw/zinc/13/29/62/1013132962.db2.gz YAKHLKIFBWERPM-SFHVURJKSA-N 2 1 353.510 2.895 20 30 FFEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262013386 965312325 /nfs/dbraw/zinc/31/23/25/965312325.db2.gz XEORNXQLPPZCEY-VJANTYMQSA-N 2 1 360.550 2.604 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@]2(CCOC2)C1 ZINC000262009132 965670010 /nfs/dbraw/zinc/67/00/10/965670010.db2.gz WFZQSXWDLXGMNO-UNMCSNQZSA-N 2 1 370.541 2.729 20 30 FFEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001267370765 968078089 /nfs/dbraw/zinc/07/80/89/968078089.db2.gz UFRWPHJTZHKBSN-BHIFYINESA-N 2 1 363.505 2.965 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001087577641 968215046 /nfs/dbraw/zinc/21/50/46/968215046.db2.gz ANRQGJUKIMYGHQ-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001087577641 968215055 /nfs/dbraw/zinc/21/50/55/968215055.db2.gz ANRQGJUKIMYGHQ-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1ccc(C#N)c(F)c1 ZINC001087577641 968215062 /nfs/dbraw/zinc/21/50/62/968215062.db2.gz ANRQGJUKIMYGHQ-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001087577728 968215132 /nfs/dbraw/zinc/21/51/32/968215132.db2.gz GIJAZTNYHFLFEN-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001087577728 968215140 /nfs/dbraw/zinc/21/51/40/968215140.db2.gz GIJAZTNYHFLFEN-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1ccc(C#N)cc1F ZINC001087577728 968215149 /nfs/dbraw/zinc/21/51/49/968215149.db2.gz GIJAZTNYHFLFEN-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1ccc(C#N)cc1F ZINC001087577728 968215157 /nfs/dbraw/zinc/21/51/57/968215157.db2.gz GIJAZTNYHFLFEN-SIKIZQCASA-N 2 1 372.488 2.507 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106486 972826611 /nfs/dbraw/zinc/82/66/11/972826611.db2.gz CWTKARQMMMUOMS-GJYPPUQNSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106486 972826622 /nfs/dbraw/zinc/82/66/22/972826622.db2.gz CWTKARQMMMUOMS-GJYPPUQNSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106486 972826629 /nfs/dbraw/zinc/82/66/29/972826629.db2.gz CWTKARQMMMUOMS-GJYPPUQNSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106486 972826637 /nfs/dbraw/zinc/82/66/37/972826637.db2.gz CWTKARQMMMUOMS-GJYPPUQNSA-N 2 1 371.928 2.732 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000664020035 977871272 /nfs/dbraw/zinc/87/12/72/977871272.db2.gz PWHMJUNKNURNGN-OAQYLSRUSA-N 2 1 370.541 2.595 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001087460231 978004952 /nfs/dbraw/zinc/00/49/52/978004952.db2.gz XRQHMNXEPWZJTC-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087460231 978004967 /nfs/dbraw/zinc/00/49/67/978004967.db2.gz XRQHMNXEPWZJTC-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP CCN1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)CC1 ZINC000911191021 982163002 /nfs/dbraw/zinc/16/30/02/982163002.db2.gz VOLXLKGLBALYPV-UHFFFAOYSA-N 2 1 368.525 2.807 20 30 FFEDMP CO[C@@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000878046474 1014833488 /nfs/dbraw/zinc/83/34/88/1014833488.db2.gz AMNRWCXPUQGMAF-OYRHEFFESA-N 2 1 357.498 2.780 20 30 FFEDMP CO[C@@H]1CCC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CCC[C@H](OC)C3)c2)C1 ZINC000878046474 1014833501 /nfs/dbraw/zinc/83/35/01/1014833501.db2.gz AMNRWCXPUQGMAF-OYRHEFFESA-N 2 1 357.498 2.780 20 30 FFEDMP CO[C@@H]1CCC[N@H+](Cc2cc(C#N)cc(C[NH+]3CCC[C@H](OC)C3)c2)C1 ZINC000878046474 1014833513 /nfs/dbraw/zinc/83/35/13/1014833513.db2.gz AMNRWCXPUQGMAF-OYRHEFFESA-N 2 1 357.498 2.780 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCN(C)c3cc[nH+]cc3)CCC[C@@H]12 ZINC001107457860 984563317 /nfs/dbraw/zinc/56/33/17/984563317.db2.gz STTFIQNNZAWKGF-TZIWHRDSSA-N 2 1 356.514 2.845 20 30 FFEDMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107522873 984623437 /nfs/dbraw/zinc/62/34/37/984623437.db2.gz YVMSPBGVNHGZHB-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106211148 987671187 /nfs/dbraw/zinc/67/11/87/987671187.db2.gz SIEYLRNSLDKWEE-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C#CCN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000922328288 988422884 /nfs/dbraw/zinc/42/28/84/988422884.db2.gz AUXOIBWPFWFJJV-FQEVSTJZSA-N 2 1 360.546 2.523 20 30 FFEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000922389232 988536437 /nfs/dbraw/zinc/53/64/37/988536437.db2.gz SKLBJYGQBDXHKO-GXRSIYKFSA-N 2 1 370.541 2.606 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665748 988608160 /nfs/dbraw/zinc/60/81/60/988608160.db2.gz AOGUXTURSYEBRH-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106668860 988616320 /nfs/dbraw/zinc/61/63/20/988616320.db2.gz QTOGSRUFTOYXIT-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079187369 991896961 /nfs/dbraw/zinc/89/69/61/991896961.db2.gz AXSXDKAFIADRBL-VQTJNVASSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@@H+]1C ZINC000940756534 992145474 /nfs/dbraw/zinc/14/54/74/992145474.db2.gz AUICYIGCDVGKPC-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)CC2(C)C)CC[N@H+]1C ZINC000940756534 992145479 /nfs/dbraw/zinc/14/54/79/992145479.db2.gz AUICYIGCDVGKPC-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000940756534 992145482 /nfs/dbraw/zinc/14/54/82/992145482.db2.gz AUICYIGCDVGKPC-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)CC2(C)C)CC[NH+]1C ZINC000940756534 992145486 /nfs/dbraw/zinc/14/54/86/992145486.db2.gz AUICYIGCDVGKPC-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001079849647 992532009 /nfs/dbraw/zinc/53/20/09/992532009.db2.gz UHKFCFXZLXVEGX-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001079849647 992532016 /nfs/dbraw/zinc/53/20/16/992532016.db2.gz UHKFCFXZLXVEGX-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001079849647 992532026 /nfs/dbraw/zinc/53/20/26/992532026.db2.gz UHKFCFXZLXVEGX-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995265786 992744788 /nfs/dbraw/zinc/74/47/88/992744788.db2.gz IOZLPCIZGBCVBU-HMXCVIKNSA-N 2 1 370.541 2.648 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995265786 992744797 /nfs/dbraw/zinc/74/47/97/992744797.db2.gz IOZLPCIZGBCVBU-HMXCVIKNSA-N 2 1 370.541 2.648 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995265786 992744802 /nfs/dbraw/zinc/74/48/02/992744802.db2.gz IOZLPCIZGBCVBU-HMXCVIKNSA-N 2 1 370.541 2.648 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080557507 993162576 /nfs/dbraw/zinc/16/25/76/993162576.db2.gz XKJZXDURLTVFGA-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080557507 993162579 /nfs/dbraw/zinc/16/25/79/993162579.db2.gz XKJZXDURLTVFGA-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080557507 993162583 /nfs/dbraw/zinc/16/25/83/993162583.db2.gz XKJZXDURLTVFGA-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@H]2C)CC1 ZINC001080992469 993543220 /nfs/dbraw/zinc/54/32/20/993543220.db2.gz LPSMUVIKRZKDAQ-STZQEDGTSA-N 2 1 367.537 2.919 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2C)CC1 ZINC001080997892 993549673 /nfs/dbraw/zinc/54/96/73/993549673.db2.gz OBGUPANDDBGQIE-WIYYLYMNSA-N 2 1 359.558 2.739 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1ccccc1 ZINC001081118631 993684513 /nfs/dbraw/zinc/68/45/13/993684513.db2.gz NUNXJBBVCTYIAK-UWHLTILDSA-N 2 1 355.526 2.877 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545088 996665790 /nfs/dbraw/zinc/66/57/90/996665790.db2.gz WHLILGUNKHGXQY-TZIWHRDSSA-N 2 1 355.526 2.903 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001171070439 997118305 /nfs/dbraw/zinc/11/83/05/997118305.db2.gz BKPUBQWPIHMVCB-ZWKOTPCHSA-N 2 1 360.502 2.877 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001171070439 997118315 /nfs/dbraw/zinc/11/83/15/997118315.db2.gz BKPUBQWPIHMVCB-ZWKOTPCHSA-N 2 1 360.502 2.877 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccc(OC)cc1 ZINC001090872286 997540015 /nfs/dbraw/zinc/54/00/15/997540015.db2.gz HRMRKAPYLVAGBK-HBMCJLEFSA-N 2 1 371.525 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084957874 998355088 /nfs/dbraw/zinc/35/50/88/998355088.db2.gz BOOJUIAGLFUKME-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084957874 998355093 /nfs/dbraw/zinc/35/50/93/998355093.db2.gz BOOJUIAGLFUKME-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957874 998355097 /nfs/dbraw/zinc/35/50/97/998355097.db2.gz BOOJUIAGLFUKME-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957874 998355102 /nfs/dbraw/zinc/35/51/02/998355102.db2.gz BOOJUIAGLFUKME-SQNIBIBYSA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084986958 998558141 /nfs/dbraw/zinc/55/81/41/998558141.db2.gz IQNBIBXNCCGBLC-XLIONFOSSA-N 2 1 365.481 2.770 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085340388 999388489 /nfs/dbraw/zinc/38/84/89/999388489.db2.gz NPJSPGXAKCYIAM-PLACYPQZSA-N 2 1 355.526 2.925 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC3(CCC3)C2)CC1 ZINC001096605340 1016341762 /nfs/dbraw/zinc/34/17/62/1016341762.db2.gz JWEUERDDIVUXAZ-HKBOAZHASA-N 2 1 369.553 2.633 20 30 FFEDMP C[C@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741458135 999728339 /nfs/dbraw/zinc/72/83/39/999728339.db2.gz YFRVMZHVJLVHTG-INIZCTEOSA-N 2 1 373.570 2.585 20 30 FFEDMP C[C@@H]1CC(=NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741458140 999728373 /nfs/dbraw/zinc/72/83/73/999728373.db2.gz YFRVMZHVJLVHTG-MRXNPFEDSA-N 2 1 373.570 2.585 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001000696814 1016436688 /nfs/dbraw/zinc/43/66/88/1016436688.db2.gz UVXZYTCWVDBHDZ-LEWJYISDSA-N 2 1 366.509 2.537 20 30 FFEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001148310304 1001104726 /nfs/dbraw/zinc/10/47/26/1001104726.db2.gz AFYLRQZSWULJJN-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001148310304 1001104730 /nfs/dbraw/zinc/10/47/30/1001104730.db2.gz AFYLRQZSWULJJN-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001148310304 1001104734 /nfs/dbraw/zinc/10/47/34/1001104734.db2.gz AFYLRQZSWULJJN-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001112567411 1001498490 /nfs/dbraw/zinc/49/84/90/1001498490.db2.gz NFSMHBKMGAFAKB-UNMCSNQZSA-N 2 1 368.525 2.618 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157773 1002443624 /nfs/dbraw/zinc/44/36/24/1002443624.db2.gz PSYGTAVDWLNFBK-MJGOQNOKSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157773 1002443627 /nfs/dbraw/zinc/44/36/27/1002443627.db2.gz PSYGTAVDWLNFBK-MJGOQNOKSA-N 2 1 353.938 2.640 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086613302 1003363416 /nfs/dbraw/zinc/36/34/16/1003363416.db2.gz MLJXXHVYCFXPSU-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613302 1003363426 /nfs/dbraw/zinc/36/34/26/1003363426.db2.gz MLJXXHVYCFXPSU-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613302 1003363434 /nfs/dbraw/zinc/36/34/34/1003363434.db2.gz MLJXXHVYCFXPSU-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001092689669 1003492383 /nfs/dbraw/zinc/49/23/83/1003492383.db2.gz PNIWCOXMMRRMIC-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001092689669 1003492386 /nfs/dbraw/zinc/49/23/86/1003492386.db2.gz PNIWCOXMMRRMIC-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001092689669 1003492391 /nfs/dbraw/zinc/49/23/91/1003492391.db2.gz PNIWCOXMMRRMIC-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001092689669 1003492395 /nfs/dbraw/zinc/49/23/95/1003492395.db2.gz PNIWCOXMMRRMIC-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000808058830 1004744084 /nfs/dbraw/zinc/74/40/84/1004744084.db2.gz XETVHPAGCSPLAI-SFHVURJKSA-N 2 1 373.566 2.682 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001086720840 1006256406 /nfs/dbraw/zinc/25/64/06/1006256406.db2.gz RBGVIRCKFBOUJU-BDTNDASRSA-N 2 1 367.537 2.721 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001086720840 1006256415 /nfs/dbraw/zinc/25/64/15/1006256415.db2.gz RBGVIRCKFBOUJU-BDTNDASRSA-N 2 1 367.537 2.721 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001097106248 1017044000 /nfs/dbraw/zinc/04/40/00/1017044000.db2.gz QIQMCVNJMYBQML-XNTOXWQXSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001097106248 1017044011 /nfs/dbraw/zinc/04/40/11/1017044011.db2.gz QIQMCVNJMYBQML-XNTOXWQXSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001097106248 1017043990 /nfs/dbraw/zinc/04/39/90/1017043990.db2.gz QIQMCVNJMYBQML-XNTOXWQXSA-N 2 1 366.509 2.510 20 30 FFEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202589358 1007097224 /nfs/dbraw/zinc/09/72/24/1007097224.db2.gz WQTSJOOCJHEWQR-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861348 1007538980 /nfs/dbraw/zinc/53/89/80/1007538980.db2.gz CZTNGJFLCUPEHB-SQGPQFPESA-N 2 1 356.514 2.663 20 30 FFEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975732 1008015477 /nfs/dbraw/zinc/01/54/77/1008015477.db2.gz LWNCSAHNXNZZET-HTAPYJJXSA-N 2 1 365.477 2.602 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)c2)CCO1 ZINC000818975732 1008015480 /nfs/dbraw/zinc/01/54/80/1008015480.db2.gz LWNCSAHNXNZZET-HTAPYJJXSA-N 2 1 365.477 2.602 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000859213064 1008488148 /nfs/dbraw/zinc/48/81/48/1008488148.db2.gz TWJDCRJVZZTTKN-SFHVURJKSA-N 2 1 368.506 2.919 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000859213064 1008488149 /nfs/dbraw/zinc/48/81/49/1008488149.db2.gz TWJDCRJVZZTTKN-SFHVURJKSA-N 2 1 368.506 2.919 20 30 FFEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810646 1009134693 /nfs/dbraw/zinc/13/46/93/1009134693.db2.gz KEBKPSBFOXPNLR-RTBURBONSA-N 2 1 353.551 2.718 20 30 FFEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810646 1009134700 /nfs/dbraw/zinc/13/47/00/1009134700.db2.gz KEBKPSBFOXPNLR-RTBURBONSA-N 2 1 353.551 2.718 20 30 FFEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001179654592 1009384401 /nfs/dbraw/zinc/38/44/01/1009384401.db2.gz MQUWNJKLIDCYSW-RTWAWAEBSA-N 2 1 355.526 2.621 20 30 FFEDMP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369529 1010232709 /nfs/dbraw/zinc/23/27/09/1010232709.db2.gz BOUVNDLCKKSZPC-RLLQIKCJSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369529 1010232718 /nfs/dbraw/zinc/23/27/18/1010232718.db2.gz BOUVNDLCKKSZPC-RLLQIKCJSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369529 1010232724 /nfs/dbraw/zinc/23/27/24/1010232724.db2.gz BOUVNDLCKKSZPC-RLLQIKCJSA-N 2 1 359.558 2.996 20 30 FFEDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000863557049 1010254181 /nfs/dbraw/zinc/25/41/81/1010254181.db2.gz HIVLWIFDUMJYTF-FQEVSTJZSA-N 2 1 356.514 2.931 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2 ZINC001094437484 1011128752 /nfs/dbraw/zinc/12/87/52/1011128752.db2.gz UVLPRYHAPZCKBG-QZNHQXDQSA-N 2 1 369.553 2.945 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2 ZINC001094437484 1011128758 /nfs/dbraw/zinc/12/87/58/1011128758.db2.gz UVLPRYHAPZCKBG-QZNHQXDQSA-N 2 1 369.553 2.945 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001094437484 1011128761 /nfs/dbraw/zinc/12/87/61/1011128761.db2.gz UVLPRYHAPZCKBG-QZNHQXDQSA-N 2 1 369.553 2.945 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001094437484 1011128765 /nfs/dbraw/zinc/12/87/65/1011128765.db2.gz UVLPRYHAPZCKBG-QZNHQXDQSA-N 2 1 369.553 2.945 20 30 FFEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001172257614 1011733037 /nfs/dbraw/zinc/73/30/37/1011733037.db2.gz PKEOBJYDYBPKMV-OAQYLSRUSA-N 2 1 357.498 2.902 20 30 FFEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001172257614 1011733046 /nfs/dbraw/zinc/73/30/46/1011733046.db2.gz PKEOBJYDYBPKMV-OAQYLSRUSA-N 2 1 357.498 2.902 20 30 FFEDMP CCCC[NH+]=C(NCCCN1CCC[N@@H+](C)CC1)NCc1ccc(C)cc1 ZINC000303980584 1012551879 /nfs/dbraw/zinc/55/18/79/1012551879.db2.gz OFLOLJLCKPHEAH-UHFFFAOYSA-N 2 1 373.589 2.858 20 30 FFEDMP CCCC[NH+]=C(NCCC[N@@H+]1CCCN(C)CC1)NCc1ccc(C)cc1 ZINC000303980584 1012551897 /nfs/dbraw/zinc/55/18/97/1012551897.db2.gz OFLOLJLCKPHEAH-UHFFFAOYSA-N 2 1 373.589 2.858 20 30 FFEDMP CCCC[NH+]=C(NCCC[N@H+]1CCCN(C)CC1)NCc1ccc(C)cc1 ZINC000303980584 1012551914 /nfs/dbraw/zinc/55/19/14/1012551914.db2.gz OFLOLJLCKPHEAH-UHFFFAOYSA-N 2 1 373.589 2.858 20 30 FFEDMP C(#Cc1ccccc1)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)s1 ZINC001222095472 1032756765 /nfs/dbraw/zinc/75/67/65/1032756765.db2.gz UMZYQHJZXKWMPG-UHFFFAOYSA-N 2 1 351.519 2.675 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015520 1019900873 /nfs/dbraw/zinc/90/08/73/1019900873.db2.gz JFGFPFKNEURGPA-NHAYFPRASA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096015520 1019900878 /nfs/dbraw/zinc/90/08/78/1019900878.db2.gz JFGFPFKNEURGPA-NHAYFPRASA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015520 1019900883 /nfs/dbraw/zinc/90/08/83/1019900883.db2.gz JFGFPFKNEURGPA-NHAYFPRASA-N 2 1 351.510 2.887 20 30 FFEDMP COc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(C#N)c1 ZINC001137698393 1032875180 /nfs/dbraw/zinc/87/51/80/1032875180.db2.gz VGVMAAIXJXXVBC-UHFFFAOYSA-N 2 1 357.498 2.891 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001099262042 1022185335 /nfs/dbraw/zinc/18/53/35/1022185335.db2.gz BUXRNKYPFSALDF-OAGGEKHMSA-N 2 1 359.436 2.558 20 30 FFEDMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2C#N)cc13 ZINC001218200099 1033045186 /nfs/dbraw/zinc/04/51/86/1033045186.db2.gz DYSIVKYYAFHKLS-QXPVWKFPSA-N 2 1 351.494 2.865 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059103 1025375110 /nfs/dbraw/zinc/37/51/10/1025375110.db2.gz AXWKMIAVGGRXDI-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059103 1025375124 /nfs/dbraw/zinc/37/51/24/1025375124.db2.gz AXWKMIAVGGRXDI-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059103 1025375135 /nfs/dbraw/zinc/37/51/35/1025375135.db2.gz AXWKMIAVGGRXDI-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](CC)CC ZINC001102356578 1025798194 /nfs/dbraw/zinc/79/81/94/1025798194.db2.gz QDLMEKLEWPNLHG-UIFIKXQLSA-N 2 1 370.541 2.863 20 30 FFEDMP C=CCC1(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000638414543 1025832524 /nfs/dbraw/zinc/83/25/24/1025832524.db2.gz PZNUFKGPCBUECX-UHFFFAOYSA-N 2 1 371.525 2.612 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083904 1026945168 /nfs/dbraw/zinc/94/51/68/1026945168.db2.gz OMSJOFKIUMMJOV-IEBWSBKVSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495591 1027603444 /nfs/dbraw/zinc/60/34/44/1027603444.db2.gz KBDZQJIHDMWIIZ-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103582792 1027722886 /nfs/dbraw/zinc/72/28/86/1027722886.db2.gz FTLCZTFXABKOPC-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001103582792 1027722895 /nfs/dbraw/zinc/72/28/95/1027722895.db2.gz FTLCZTFXABKOPC-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001161056179 1027988962 /nfs/dbraw/zinc/98/89/62/1027988962.db2.gz JMKGFNDQHZXFJD-UNMCSNQZSA-N 2 1 353.510 2.950 20 30 FFEDMP N#CCc1ccc(OCc2ccc(NCC[NH+]3CCC([NH3+])CC3)nc2)cc1 ZINC001161870099 1028338823 /nfs/dbraw/zinc/33/88/23/1028338823.db2.gz GDJYULJBGDQFSK-UHFFFAOYSA-N 2 1 365.481 2.562 20 30 FFEDMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CCCCC1 ZINC000841011278 1029974167 /nfs/dbraw/zinc/97/41/67/1029974167.db2.gz GUNZBQDWJYMMMG-QFBILLFUSA-N 2 1 355.486 2.684 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001112396750 1030739372 /nfs/dbraw/zinc/73/93/72/1030739372.db2.gz CFOSQMPUSZHJEH-BXWFABGCSA-N 2 1 362.905 2.731 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(C#N)ccc45)C[C@H]3C2)cn1 ZINC001142928568 1031067798 /nfs/dbraw/zinc/06/77/98/1031067798.db2.gz CNQAJGGSFCALJQ-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(C#N)ccc45)C[C@H]3C2)cn1 ZINC001142928568 1031067806 /nfs/dbraw/zinc/06/78/06/1031067806.db2.gz CNQAJGGSFCALJQ-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5cc(C#N)ccc45)C[C@H]3C2)cn1 ZINC001142928568 1031067821 /nfs/dbraw/zinc/06/78/21/1031067821.db2.gz CNQAJGGSFCALJQ-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5cc(C#N)ccc45)C[C@H]3C2)cn1 ZINC001142928568 1031067840 /nfs/dbraw/zinc/06/78/40/1031067840.db2.gz CNQAJGGSFCALJQ-UYAOXDASSA-N 2 1 374.492 2.727 20 30 FFEDMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000799178310 1031682923 /nfs/dbraw/zinc/68/29/23/1031682923.db2.gz LQWSSCBNQJQVMO-FQEVSTJZSA-N 2 1 366.509 2.861 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001226843966 1034859005 /nfs/dbraw/zinc/85/90/05/1034859005.db2.gz XLLATNVYFMABMY-ICSRJNTNSA-N 2 1 370.541 2.704 20 30 FFEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227158436 1034953664 /nfs/dbraw/zinc/95/36/64/1034953664.db2.gz JTEDBOVJGUHQAG-ZIAGYGMSSA-N 2 1 360.340 2.642 20 30 FFEDMP C=CCCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767337 1037348411 /nfs/dbraw/zinc/34/84/11/1037348411.db2.gz RWSWWCXECHNZOF-UYAOXDASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767337 1037348428 /nfs/dbraw/zinc/34/84/28/1037348428.db2.gz RWSWWCXECHNZOF-UYAOXDASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767337 1037348442 /nfs/dbraw/zinc/34/84/42/1037348442.db2.gz RWSWWCXECHNZOF-UYAOXDASSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396621 1037413188 /nfs/dbraw/zinc/41/31/88/1037413188.db2.gz OATTVSNDYBEFKS-UHFFFAOYSA-N 2 1 358.530 2.696 20 30 FFEDMP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)c1 ZINC001235352159 1037496850 /nfs/dbraw/zinc/49/68/50/1037496850.db2.gz LDSYISXBCNNMFR-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208629741 1038458192 /nfs/dbraw/zinc/45/81/92/1038458192.db2.gz WCSSDSDHWLDMRN-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208629741 1038458196 /nfs/dbraw/zinc/45/81/96/1038458196.db2.gz WCSSDSDHWLDMRN-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP N#CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001256968497 1038665353 /nfs/dbraw/zinc/66/53/53/1038665353.db2.gz VIKDDNORQLHNDW-BCKAPOECSA-N 2 1 354.498 2.687 20 30 FFEDMP N#CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001256968497 1038665358 /nfs/dbraw/zinc/66/53/58/1038665358.db2.gz VIKDDNORQLHNDW-BCKAPOECSA-N 2 1 354.498 2.687 20 30 FFEDMP N#CC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001256968497 1038665361 /nfs/dbraw/zinc/66/53/61/1038665361.db2.gz VIKDDNORQLHNDW-BCKAPOECSA-N 2 1 354.498 2.687 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001246033678 1039204842 /nfs/dbraw/zinc/20/48/42/1039204842.db2.gz ONFFWIBJABOQOT-CTNGQTDRSA-N 2 1 367.578 2.822 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCNC[C@@]2(CCCC(=O)N2)C1 ZINC001246033678 1039204853 /nfs/dbraw/zinc/20/48/53/1039204853.db2.gz ONFFWIBJABOQOT-CTNGQTDRSA-N 2 1 367.578 2.822 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001246305020 1039307408 /nfs/dbraw/zinc/30/74/08/1039307408.db2.gz GIFIBIIPWZTUIF-IBGZPJMESA-N 2 1 363.477 2.611 20 30 FFEDMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764434 1039470776 /nfs/dbraw/zinc/47/07/76/1039470776.db2.gz KGIWOFSFVQQMFV-QIJUGHKUSA-N 2 1 368.525 2.618 20 30 FFEDMP N#Cc1ccc2[nH]cc(CC[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001252949822 1039855880 /nfs/dbraw/zinc/85/58/80/1039855880.db2.gz UJSJIFSTTCQDIP-QHCPKHFHSA-N 2 1 374.488 2.809 20 30 FFEDMP N#Cc1ccc2[nH]cc(CC[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001252949822 1039855904 /nfs/dbraw/zinc/85/59/04/1039855904.db2.gz UJSJIFSTTCQDIP-QHCPKHFHSA-N 2 1 374.488 2.809 20 30 FFEDMP C=CCCCCCC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001253237021 1040061502 /nfs/dbraw/zinc/06/15/02/1040061502.db2.gz HNTQIJZLERZNSX-QHAWAJNXSA-N 2 1 368.562 2.543 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253237021 1040061523 /nfs/dbraw/zinc/06/15/23/1040061523.db2.gz HNTQIJZLERZNSX-QHAWAJNXSA-N 2 1 368.562 2.543 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253237021 1040061531 /nfs/dbraw/zinc/06/15/31/1040061531.db2.gz HNTQIJZLERZNSX-QHAWAJNXSA-N 2 1 368.562 2.543 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593412 1040701132 /nfs/dbraw/zinc/70/11/32/1040701132.db2.gz YMOYZBJDZUQCPY-VAMGGRTRSA-N 2 1 367.578 2.915 20 30 FFEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001254529195 1040783870 /nfs/dbraw/zinc/78/38/70/1040783870.db2.gz FIBNVYDRPIPOQK-LJQANCHMSA-N 2 1 355.486 2.628 20 30 FFEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001254665766 1040865780 /nfs/dbraw/zinc/86/57/80/1040865780.db2.gz PWAFNVYBFWAKNW-VQTJNVASSA-N 2 1 354.498 2.688 20 30 FFEDMP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001278867225 1041349197 /nfs/dbraw/zinc/34/91/97/1041349197.db2.gz GSIHWPZPZVTZDO-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001278867225 1041349203 /nfs/dbraw/zinc/34/92/03/1041349203.db2.gz GSIHWPZPZVTZDO-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096805 1042623334 /nfs/dbraw/zinc/62/33/34/1042623334.db2.gz SFGOBJOQUWGISP-LQWHRVPQSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096805 1042623335 /nfs/dbraw/zinc/62/33/35/1042623335.db2.gz SFGOBJOQUWGISP-LQWHRVPQSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096805 1042623337 /nfs/dbraw/zinc/62/33/37/1042623337.db2.gz SFGOBJOQUWGISP-LQWHRVPQSA-N 2 1 365.537 2.945 20 30 FFEDMP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4cocn4)CC3)C2)cc1C#N ZINC001279371869 1043033334 /nfs/dbraw/zinc/03/33/34/1043033334.db2.gz CYIIXHOEEKEJRW-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](Cc4cocn4)CC3)C2)cc1C#N ZINC001279371869 1043033340 /nfs/dbraw/zinc/03/33/40/1043033340.db2.gz CYIIXHOEEKEJRW-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c([O-])c1 ZINC001279497911 1043189598 /nfs/dbraw/zinc/18/95/98/1043189598.db2.gz PQSXKUPBWXFAII-HDICACEKSA-N 2 1 350.466 2.936 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c([O-])c1 ZINC001279497911 1043189604 /nfs/dbraw/zinc/18/96/04/1043189604.db2.gz PQSXKUPBWXFAII-HDICACEKSA-N 2 1 350.466 2.936 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c([O-])c1 ZINC001279497911 1043189608 /nfs/dbraw/zinc/18/96/08/1043189608.db2.gz PQSXKUPBWXFAII-HDICACEKSA-N 2 1 350.466 2.936 20 30 FFEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c(O)c1 ZINC001279497911 1043189615 /nfs/dbraw/zinc/18/96/15/1043189615.db2.gz PQSXKUPBWXFAII-HDICACEKSA-N 2 1 350.466 2.936 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c(O)c1 ZINC001279497911 1043189625 /nfs/dbraw/zinc/18/96/25/1043189625.db2.gz PQSXKUPBWXFAII-HDICACEKSA-N 2 1 350.466 2.936 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279870085 1043803665 /nfs/dbraw/zinc/80/36/65/1043803665.db2.gz UZNASXQHPWJUQW-UHFFFAOYSA-N 2 1 354.542 2.970 20 30 FFEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001279870085 1043803676 /nfs/dbraw/zinc/80/36/76/1043803676.db2.gz UZNASXQHPWJUQW-UHFFFAOYSA-N 2 1 354.542 2.970 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CC(=O)C(C)(C)C)C[C@H]3CC2)cc1C#N ZINC001280141971 1044288390 /nfs/dbraw/zinc/28/83/90/1044288390.db2.gz GOEDZGVORRLBKN-HDICACEKSA-N 2 1 356.514 2.656 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CC(=O)C(C)(C)C)C[C@H]3CC2)cc1C#N ZINC001280141971 1044288405 /nfs/dbraw/zinc/28/84/05/1044288405.db2.gz GOEDZGVORRLBKN-HDICACEKSA-N 2 1 356.514 2.656 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CC(=O)C(C)(C)C)C[C@H]3CC2)cc1C#N ZINC001280141971 1044288418 /nfs/dbraw/zinc/28/84/18/1044288418.db2.gz GOEDZGVORRLBKN-HDICACEKSA-N 2 1 356.514 2.656 20 30 FFEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCn2cccc2)cc1C#N ZINC001280271046 1044509782 /nfs/dbraw/zinc/50/97/82/1044509782.db2.gz OCYDLKQIPAZBEP-IHWFROFDSA-N 2 1 351.498 2.874 20 30 FFEDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2F)CC1 ZINC001347793430 1054326757 /nfs/dbraw/zinc/32/67/57/1054326757.db2.gz KRDVZKKTIHKDHK-UHFFFAOYSA-N 2 1 356.420 2.878 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001500347874 1058471908 /nfs/dbraw/zinc/47/19/08/1058471908.db2.gz OQHWYBYCUWRXMK-QZNHQXDQSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556065 1058567362 /nfs/dbraw/zinc/56/73/62/1058567362.db2.gz WCUUNKHAGYCUFP-SLFFLAALSA-N 2 1 365.562 2.670 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001515295952 1059510355 /nfs/dbraw/zinc/51/03/55/1059510355.db2.gz LXUUMDSESJZTDP-KURKYZTESA-N 2 1 360.550 2.787 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001515823519 1059819112 /nfs/dbraw/zinc/81/91/12/1059819112.db2.gz PCYYXSZZEIGLAD-MOPGFXCFSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](CC)C[C@H]1CC)C(C)C ZINC001467659852 1063809794 /nfs/dbraw/zinc/80/97/94/1063809794.db2.gz AKDBFYRJYGDXIH-RTBURBONSA-N 2 1 350.551 2.811 20 30 FFEDMP C=CC1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001574881581 1078089903 /nfs/dbraw/zinc/08/99/03/1078089903.db2.gz LGOAFXXPIBBODZ-IEBWSBKVSA-N 2 1 374.577 2.878 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001569058532 1077126797 /nfs/dbraw/zinc/12/67/97/1077126797.db2.gz IGFLZMCCZHFVOB-VDZJLULYSA-N 2 1 361.917 2.516 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000371108387 512222194 /nfs/dbraw/zinc/22/21/94/512222194.db2.gz IVFBQFYVORTROS-RBUKOAKNSA-N 2 1 360.477 2.521 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410339044 512241646 /nfs/dbraw/zinc/24/16/46/512241646.db2.gz QUUQXNCCBVDHGH-BGYRXZFFSA-N 2 1 362.562 2.577 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000080674719 508093925 /nfs/dbraw/zinc/09/39/25/508093925.db2.gz IAISHCOOPFYYPZ-NRFANRHFSA-N 2 1 370.541 2.943 20 30 FFEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000077249525 508292209 /nfs/dbraw/zinc/29/22/09/508292209.db2.gz QUOLVXLMJLMBJI-UHFFFAOYSA-N 2 1 360.527 2.853 20 30 FFEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000077249525 508292212 /nfs/dbraw/zinc/29/22/12/508292212.db2.gz QUOLVXLMJLMBJI-UHFFFAOYSA-N 2 1 360.527 2.853 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000106276117 508398874 /nfs/dbraw/zinc/39/88/74/508398874.db2.gz FRXWECWMSAHZEF-UHFFFAOYSA-N 2 1 370.541 2.863 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000153008099 508539485 /nfs/dbraw/zinc/53/94/85/508539485.db2.gz BMILYQLJSKQFTM-KNQAVFIVSA-N 2 1 357.542 2.906 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371471515 512423107 /nfs/dbraw/zinc/42/31/07/512423107.db2.gz VBPMWSLVSADAEH-NLWGTHIKSA-N 2 1 360.498 2.944 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371471515 512423109 /nfs/dbraw/zinc/42/31/09/512423109.db2.gz VBPMWSLVSADAEH-NLWGTHIKSA-N 2 1 360.498 2.944 20 30 FFEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCC2 ZINC000150804134 508896544 /nfs/dbraw/zinc/89/65/44/508896544.db2.gz IHQGGBMBWYFLLF-OAHLLOKOSA-N 2 1 372.538 2.855 20 30 FFEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCC2 ZINC000150804134 508896548 /nfs/dbraw/zinc/89/65/48/508896548.db2.gz IHQGGBMBWYFLLF-OAHLLOKOSA-N 2 1 372.538 2.855 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264112617 509336395 /nfs/dbraw/zinc/33/63/95/509336395.db2.gz RLRDTUKLMYABNW-SFHVURJKSA-N 2 1 352.482 2.986 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000163455832 509378415 /nfs/dbraw/zinc/37/84/15/509378415.db2.gz VBFZXEGGARBQAZ-JOCHJYFZSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000176720664 509657069 /nfs/dbraw/zinc/65/70/69/509657069.db2.gz MAZUJLKEZSJZRF-NQIIRXRSSA-N 2 1 353.510 2.501 20 30 FFEDMP COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150697 510434317 /nfs/dbraw/zinc/43/43/17/510434317.db2.gz KGUYIFBUMPYUOD-LEWJYISDSA-N 2 1 365.477 2.539 20 30 FFEDMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150697 510434323 /nfs/dbraw/zinc/43/43/23/510434323.db2.gz KGUYIFBUMPYUOD-LEWJYISDSA-N 2 1 365.477 2.539 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299002262 511480836 /nfs/dbraw/zinc/48/08/36/511480836.db2.gz QLQVJEBFJUOFOL-CDXJDZJCSA-N 2 1 366.509 2.906 20 30 FFEDMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299002262 511480844 /nfs/dbraw/zinc/48/08/44/511480844.db2.gz QLQVJEBFJUOFOL-CDXJDZJCSA-N 2 1 366.509 2.906 20 30 FFEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292937533 511778546 /nfs/dbraw/zinc/77/85/46/511778546.db2.gz JPQOYKPRIVVPRR-IBGZPJMESA-N 2 1 360.889 2.958 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000328773115 511929856 /nfs/dbraw/zinc/92/98/56/511929856.db2.gz JWKBYGYKTLVZSZ-QGZVFWFLSA-N 2 1 359.518 2.554 20 30 FFEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000329087733 511980238 /nfs/dbraw/zinc/98/02/38/511980238.db2.gz HMKCIQMHVSQFPN-SFHVURJKSA-N 2 1 369.513 2.942 20 30 FFEDMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000442778158 513778388 /nfs/dbraw/zinc/77/83/88/513778388.db2.gz KBODDLZMCYOKGO-PKOBYXMFSA-N 2 1 357.498 2.958 20 30 FFEDMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1)C1CCOCC1 ZINC000442778152 513778421 /nfs/dbraw/zinc/77/84/21/513778421.db2.gz KBODDLZMCYOKGO-IEBWSBKVSA-N 2 1 357.498 2.958 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)CC1 ZINC000487902828 516025427 /nfs/dbraw/zinc/02/54/27/516025427.db2.gz APIHCKBZOHFWRJ-UHFFFAOYSA-N 2 1 368.525 2.633 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738372 516110157 /nfs/dbraw/zinc/11/01/57/516110157.db2.gz GBCZRLLNSVXDBD-TZIWHRDSSA-N 2 1 362.562 2.812 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1)CC1CC1 ZINC000540050479 516418003 /nfs/dbraw/zinc/41/80/03/516418003.db2.gz SKLSHVMYWWLOQD-OAQYLSRUSA-N 2 1 362.562 2.875 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1)CC1CC1 ZINC000516651634 517789859 /nfs/dbraw/zinc/78/98/59/517789859.db2.gz BSWIRPLSEWXCKQ-UHFFFAOYSA-N 2 1 366.513 2.935 20 30 FFEDMP C=CCOc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000569120523 519388822 /nfs/dbraw/zinc/38/88/22/519388822.db2.gz JKEMNSMTWFSMHX-IBGZPJMESA-N 2 1 360.498 2.947 20 30 FFEDMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594439740 519966811 /nfs/dbraw/zinc/96/68/11/519966811.db2.gz UYOJOPFPLFKDMJ-VQIMIIECSA-N 2 1 358.486 2.757 20 30 FFEDMP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]2C2CC2)c1 ZINC000594444822 519971397 /nfs/dbraw/zinc/97/13/97/519971397.db2.gz CYINDBBCVOBPEH-VAMGGRTRSA-N 2 1 370.497 2.500 20 30 FFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000600727969 520428234 /nfs/dbraw/zinc/42/82/34/520428234.db2.gz MCMRDXNXTYULNT-GIVPXCGWSA-N 2 1 371.525 2.700 20 30 FFEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000600727969 520428241 /nfs/dbraw/zinc/42/82/41/520428241.db2.gz MCMRDXNXTYULNT-GIVPXCGWSA-N 2 1 371.525 2.700 20 30 FFEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595504203 520514348 /nfs/dbraw/zinc/51/43/48/520514348.db2.gz GBQRUBHNGXLSGB-LJQANCHMSA-N 2 1 360.889 2.958 20 30 FFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595504203 520514355 /nfs/dbraw/zinc/51/43/55/520514355.db2.gz GBQRUBHNGXLSGB-LJQANCHMSA-N 2 1 360.889 2.958 20 30 FFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595504203 520514364 /nfs/dbraw/zinc/51/43/64/520514364.db2.gz GBQRUBHNGXLSGB-LJQANCHMSA-N 2 1 360.889 2.958 20 30 FFEDMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612794 520743009 /nfs/dbraw/zinc/74/30/09/520743009.db2.gz DCIDHHAXPCUEIR-HOTGVXAUSA-N 2 1 350.532 2.506 20 30 FFEDMP N#CCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000611587611 521239215 /nfs/dbraw/zinc/23/92/15/521239215.db2.gz FZQIAWYECKXGHU-KSEOMHKRSA-N 2 1 352.526 2.865 20 30 FFEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(C#N)n3)CC2)cs1 ZINC000602555086 521409984 /nfs/dbraw/zinc/40/99/84/521409984.db2.gz HKHFSNHTNNHHOM-UHFFFAOYSA-N 2 1 355.511 2.974 20 30 FFEDMP Cc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)cc1C#N ZINC001164680946 719652423 /nfs/dbraw/zinc/65/24/23/719652423.db2.gz JKJZMKYCZCPFGP-UHFFFAOYSA-N 2 1 358.877 2.587 20 30 FFEDMP Cc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)cc1C#N ZINC001164680946 719652430 /nfs/dbraw/zinc/65/24/30/719652430.db2.gz JKJZMKYCZCPFGP-UHFFFAOYSA-N 2 1 358.877 2.587 20 30 FFEDMP C[NH+]=C(NCc1ccn(C)c1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000125715468 728686589 /nfs/dbraw/zinc/68/65/89/728686589.db2.gz NFBGUOUXLHXGAR-WMZOPIPTSA-N 2 1 359.543 2.835 20 30 FFEDMP C[NH+]=C(NCC(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000261959727 729655658 /nfs/dbraw/zinc/65/56/58/729655658.db2.gz JUMPFWXDXUCGSG-DLBZAZTESA-N 2 1 350.457 2.813 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1c(F)cccc1Cl ZINC000262506533 729667357 /nfs/dbraw/zinc/66/73/57/729667357.db2.gz ABICKUABLGWKTQ-ZDUSSCGKSA-N 2 1 352.885 2.971 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1Cl ZINC000303893913 729735635 /nfs/dbraw/zinc/73/56/35/729735635.db2.gz SFSHMJMMODUWRP-ZDUSSCGKSA-N 2 1 373.726 2.991 20 30 FFEDMP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)Oc1ccccc1Cl ZINC000304672540 729736786 /nfs/dbraw/zinc/73/67/86/729736786.db2.gz CIRJXJISJVRJLJ-GJZGRUSLSA-N 2 1 352.910 2.886 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000876732045 732273570 /nfs/dbraw/zinc/27/35/70/732273570.db2.gz WDDWOLUVTSCLFD-MRXNPFEDSA-N 2 1 357.832 2.515 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758734 732277561 /nfs/dbraw/zinc/27/75/61/732277561.db2.gz MEKDIBCBLKTZMT-ICSRJNTNSA-N 2 1 361.917 2.971 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000876888223 732291769 /nfs/dbraw/zinc/29/17/69/732291769.db2.gz BDRNXDTZGBTKCS-ZDUSSCGKSA-N 2 1 360.683 2.919 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccccc1C#N ZINC000751010592 735837023 /nfs/dbraw/zinc/83/70/23/735837023.db2.gz IWEDGJYSTXQWSN-QGZVFWFLSA-N 2 1 359.543 2.603 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819898 742802691 /nfs/dbraw/zinc/80/26/91/742802691.db2.gz IHQAPANCAHRFOK-QRQLOZEOSA-N 2 1 361.917 2.522 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819898 742802696 /nfs/dbraw/zinc/80/26/96/742802696.db2.gz IHQAPANCAHRFOK-QRQLOZEOSA-N 2 1 361.917 2.522 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819898 742802703 /nfs/dbraw/zinc/80/27/03/742802703.db2.gz IHQAPANCAHRFOK-QRQLOZEOSA-N 2 1 361.917 2.522 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819898 742802713 /nfs/dbraw/zinc/80/27/13/742802713.db2.gz IHQAPANCAHRFOK-QRQLOZEOSA-N 2 1 361.917 2.522 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CCC[NH2+]1 ZINC000852873049 749967417 /nfs/dbraw/zinc/96/74/17/749967417.db2.gz OJFLGXLLAILCBD-LJQANCHMSA-N 2 1 362.905 2.729 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087966951 971379300 /nfs/dbraw/zinc/37/93/00/971379300.db2.gz CJMRHPCMAWWKQZ-AABGKKOBSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087966951 971379305 /nfs/dbraw/zinc/37/93/05/971379305.db2.gz CJMRHPCMAWWKQZ-AABGKKOBSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087966951 971379309 /nfs/dbraw/zinc/37/93/09/971379309.db2.gz CJMRHPCMAWWKQZ-AABGKKOBSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653007 972443216 /nfs/dbraw/zinc/44/32/16/972443216.db2.gz NWKSCRZVZKYRCG-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC000660653007 972443219 /nfs/dbraw/zinc/44/32/19/972443219.db2.gz NWKSCRZVZKYRCG-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC000660653007 972443223 /nfs/dbraw/zinc/44/32/23/972443223.db2.gz NWKSCRZVZKYRCG-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC000660653007 972443226 /nfs/dbraw/zinc/44/32/26/972443226.db2.gz NWKSCRZVZKYRCG-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104306035 962892803 /nfs/dbraw/zinc/89/28/03/962892803.db2.gz HHGFECLJMDAEFB-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104306035 962892814 /nfs/dbraw/zinc/89/28/14/962892814.db2.gz HHGFECLJMDAEFB-NRSPTQNISA-N 2 1 357.542 2.659 20 30 FFEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454459 966853988 /nfs/dbraw/zinc/85/39/88/966853988.db2.gz UZKIIARSQDOKTE-SFHLNBCPSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454459 966853994 /nfs/dbraw/zinc/85/39/94/966853994.db2.gz UZKIIARSQDOKTE-SFHLNBCPSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454459 966853997 /nfs/dbraw/zinc/85/39/97/966853997.db2.gz UZKIIARSQDOKTE-SFHLNBCPSA-N 2 1 359.558 2.691 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087236221 967470933 /nfs/dbraw/zinc/47/09/33/967470933.db2.gz MSIPLQXFALDIDY-LQWHRVPQSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001112515756 967500769 /nfs/dbraw/zinc/50/07/69/967500769.db2.gz BKHOBKIRVQCDSN-DWLFOUALSA-N 2 1 357.542 2.635 20 30 FFEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001087246417 968018271 /nfs/dbraw/zinc/01/82/71/968018271.db2.gz ORHUHBNLWYZNHW-ZBFHGGJFSA-N 2 1 371.510 2.542 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615844 968027328 /nfs/dbraw/zinc/02/73/28/968027328.db2.gz JIYQNPMCHZMABS-BHIFYINESA-N 2 1 367.537 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2CC)CC[NH+]1C ZINC001087578827 968235396 /nfs/dbraw/zinc/23/53/96/968235396.db2.gz RFBIYGLQQQJWPV-FNAHDJPLSA-N 2 1 367.537 2.738 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627966 968445615 /nfs/dbraw/zinc/44/56/15/968445615.db2.gz WEWSLLOTHCGCJP-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518505 968523806 /nfs/dbraw/zinc/52/38/06/968523806.db2.gz MNQHYDRWADAMDV-WFXMLNOXSA-N 2 1 356.514 2.548 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087684726 968598453 /nfs/dbraw/zinc/59/84/53/968598453.db2.gz KURTXGWJDXVCTB-LEWJYISDSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087684726 968598463 /nfs/dbraw/zinc/59/84/63/968598463.db2.gz KURTXGWJDXVCTB-LEWJYISDSA-N 2 1 367.537 2.882 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087725309 968757929 /nfs/dbraw/zinc/75/79/29/968757929.db2.gz KQSVMCQFQBTBJF-JRGCBEDISA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087725309 968757938 /nfs/dbraw/zinc/75/79/38/968757938.db2.gz KQSVMCQFQBTBJF-JRGCBEDISA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087725309 968757952 /nfs/dbraw/zinc/75/79/52/968757952.db2.gz KQSVMCQFQBTBJF-JRGCBEDISA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087725309 968757959 /nfs/dbraw/zinc/75/79/59/968757959.db2.gz KQSVMCQFQBTBJF-JRGCBEDISA-N 2 1 371.500 2.631 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000376579489 969854874 /nfs/dbraw/zinc/85/48/74/969854874.db2.gz OUQDWINDHKMDJV-XNMUZJSGSA-N 2 1 362.562 2.952 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001029741688 974182309 /nfs/dbraw/zinc/18/23/09/974182309.db2.gz AIXSDEXUAIYOBL-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001029741688 974182311 /nfs/dbraw/zinc/18/23/11/974182311.db2.gz AIXSDEXUAIYOBL-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001029741688 974182318 /nfs/dbraw/zinc/18/23/18/974182318.db2.gz AIXSDEXUAIYOBL-JRGCBEDISA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001211676319 974987424 /nfs/dbraw/zinc/98/74/24/974987424.db2.gz JBLXGTHLVFXZOK-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087427004 975429960 /nfs/dbraw/zinc/42/99/60/975429960.db2.gz HNDJDHKSAGIDQC-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087427004 975429966 /nfs/dbraw/zinc/42/99/66/975429966.db2.gz HNDJDHKSAGIDQC-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087427004 975429970 /nfs/dbraw/zinc/42/99/70/975429970.db2.gz HNDJDHKSAGIDQC-VSKRKVRLSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087427005 975431876 /nfs/dbraw/zinc/43/18/76/975431876.db2.gz HNDJDHKSAGIDQC-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087427005 975431879 /nfs/dbraw/zinc/43/18/79/975431879.db2.gz HNDJDHKSAGIDQC-YPAWHYETSA-N 2 1 367.537 2.857 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211707512 977317566 /nfs/dbraw/zinc/31/75/66/977317566.db2.gz XBDKNGXPRPKHEL-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178577507 977380450 /nfs/dbraw/zinc/38/04/50/977380450.db2.gz WWTASLXCPCBQLN-LJQANCHMSA-N 2 1 352.482 2.764 20 30 FFEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261778244 978111849 /nfs/dbraw/zinc/11/18/49/978111849.db2.gz PWWDFSXFOADSJX-MAYZUUGSSA-N 2 1 374.573 2.905 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244380 979278837 /nfs/dbraw/zinc/27/88/37/979278837.db2.gz PZUZDUQMPWZKAM-QKLQHJQFSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244380 979278845 /nfs/dbraw/zinc/27/88/45/979278845.db2.gz PZUZDUQMPWZKAM-QKLQHJQFSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244380 979278850 /nfs/dbraw/zinc/27/88/50/979278850.db2.gz PZUZDUQMPWZKAM-QKLQHJQFSA-N 2 1 351.510 2.698 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126207325 981186994 /nfs/dbraw/zinc/18/69/94/981186994.db2.gz DGIXCBOAHWMPPS-PXNSSMCTSA-N 2 1 360.546 2.685 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088621570 981962373 /nfs/dbraw/zinc/96/23/73/981962373.db2.gz JFGVMUXOIZIDDX-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088621570 981962375 /nfs/dbraw/zinc/96/23/75/981962375.db2.gz JFGVMUXOIZIDDX-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088621570 981962378 /nfs/dbraw/zinc/96/23/78/981962378.db2.gz JFGVMUXOIZIDDX-UIFIKXQLSA-N 2 1 368.525 2.900 20 30 FFEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539942 982397399 /nfs/dbraw/zinc/39/73/99/982397399.db2.gz TXWFSOVDRNLXAR-ZCNNSNEGSA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107585886 984754723 /nfs/dbraw/zinc/75/47/23/984754723.db2.gz UTOQRPQNNYWSGK-IEBWSBKVSA-N 2 1 353.938 2.832 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000170914427 985173564 /nfs/dbraw/zinc/17/35/64/985173564.db2.gz YMYZNSVSBKWXNL-QGZVFWFLSA-N 2 1 356.470 2.838 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212495560 987766443 /nfs/dbraw/zinc/76/64/43/987766443.db2.gz JMVHZDGDJSJGSF-WOJBJXKFSA-N 2 1 370.497 2.818 20 30 FFEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000922388861 988534900 /nfs/dbraw/zinc/53/49/00/988534900.db2.gz RWDLDPGCMFIGQZ-RMLALMNNSA-N 2 1 357.498 2.547 20 30 FFEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)[C@@H]1C(C)C ZINC000922392742 988553133 /nfs/dbraw/zinc/55/31/33/988553133.db2.gz GZOCAPDOKZFDII-NKRQLCBBSA-N 2 1 371.525 2.937 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254465 991044322 /nfs/dbraw/zinc/04/43/22/991044322.db2.gz XIQCVFXXCQUSCI-GUDVDZBRSA-N 2 1 353.551 2.645 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212254465 991044332 /nfs/dbraw/zinc/04/43/32/991044332.db2.gz XIQCVFXXCQUSCI-GUDVDZBRSA-N 2 1 353.551 2.645 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254465 991044338 /nfs/dbraw/zinc/04/43/38/991044338.db2.gz XIQCVFXXCQUSCI-GUDVDZBRSA-N 2 1 353.551 2.645 20 30 FFEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001089701735 991426334 /nfs/dbraw/zinc/42/63/34/991426334.db2.gz QEVMTDLEJYMJRF-HBMCJLEFSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001089701735 991426338 /nfs/dbraw/zinc/42/63/38/991426338.db2.gz QEVMTDLEJYMJRF-HBMCJLEFSA-N 2 1 367.537 2.572 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198911 991873350 /nfs/dbraw/zinc/87/33/50/991873350.db2.gz YMJQMHQLDQSTDW-LSTHTHJFSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001079287171 991973831 /nfs/dbraw/zinc/97/38/31/991973831.db2.gz QYPQKXWKEWWUBJ-JQHSSLGASA-N 2 1 365.880 2.556 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079287171 991973839 /nfs/dbraw/zinc/97/38/39/991973839.db2.gz QYPQKXWKEWWUBJ-JQHSSLGASA-N 2 1 365.880 2.556 20 30 FFEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050666 992275006 /nfs/dbraw/zinc/27/50/06/992275006.db2.gz XHRCRYRQRKDGSY-QHAWAJNXSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050666 992275018 /nfs/dbraw/zinc/27/50/18/992275018.db2.gz XHRCRYRQRKDGSY-QHAWAJNXSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050666 992275029 /nfs/dbraw/zinc/27/50/29/992275029.db2.gz XHRCRYRQRKDGSY-QHAWAJNXSA-N 2 1 367.537 2.572 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080310992 992945354 /nfs/dbraw/zinc/94/53/54/992945354.db2.gz MNOKLXOKXPMHJR-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080310992 992945364 /nfs/dbraw/zinc/94/53/64/992945364.db2.gz MNOKLXOKXPMHJR-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080310992 992945375 /nfs/dbraw/zinc/94/53/75/992945375.db2.gz MNOKLXOKXPMHJR-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001080992307 993543202 /nfs/dbraw/zinc/54/32/02/993543202.db2.gz DHQJPTJSRDFRFA-DENIHFKCSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@H]2C)CC1 ZINC001080997972 993548401 /nfs/dbraw/zinc/54/84/01/993548401.db2.gz QNELYFOAGIKDFS-XMSQKQJNSA-N 2 1 367.537 2.531 20 30 FFEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001131564692 994405788 /nfs/dbraw/zinc/40/57/88/994405788.db2.gz QREMIBFBOGQOCZ-QUCCMNQESA-N 2 1 365.562 2.526 20 30 FFEDMP N#CCC1CC[NH+](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)CC1 ZINC000844701406 998104939 /nfs/dbraw/zinc/10/49/39/998104939.db2.gz UTBDXMSOWLJRKL-SFTDATJTSA-N 2 1 366.509 2.550 20 30 FFEDMP N#CCC1CC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)CC1 ZINC000844701406 998104947 /nfs/dbraw/zinc/10/49/47/998104947.db2.gz UTBDXMSOWLJRKL-SFTDATJTSA-N 2 1 366.509 2.550 20 30 FFEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001144572414 998661011 /nfs/dbraw/zinc/66/10/11/998661011.db2.gz YJSDGIWXVWUKFG-DHIUTWEWSA-N 2 1 361.489 2.786 20 30 FFEDMP C=CCc1cc(OCC)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000738215052 999622838 /nfs/dbraw/zinc/62/28/38/999622838.db2.gz SCHSVQWZYJEVMT-FQEVSTJZSA-N 2 1 373.541 2.731 20 30 FFEDMP C=CCc1cc(OCC)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000738215052 999622842 /nfs/dbraw/zinc/62/28/42/999622842.db2.gz SCHSVQWZYJEVMT-FQEVSTJZSA-N 2 1 373.541 2.731 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001109418147 1000408989 /nfs/dbraw/zinc/40/89/89/1000408989.db2.gz ZJWNSTDYIKZNCC-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109418147 1000408991 /nfs/dbraw/zinc/40/89/91/1000408991.db2.gz ZJWNSTDYIKZNCC-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109418147 1000408994 /nfs/dbraw/zinc/40/89/94/1000408994.db2.gz ZJWNSTDYIKZNCC-WOZUAGRISA-N 2 1 366.509 2.654 20 30 FFEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001276168375 1016450866 /nfs/dbraw/zinc/45/08/66/1016450866.db2.gz ZUDGYXGHPYQCAU-WOJBJXKFSA-N 2 1 350.466 2.932 20 30 FFEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001276168375 1016450874 /nfs/dbraw/zinc/45/08/74/1016450874.db2.gz ZUDGYXGHPYQCAU-WOJBJXKFSA-N 2 1 350.466 2.932 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110005965 1001280375 /nfs/dbraw/zinc/28/03/75/1001280375.db2.gz OCXILMAWRMXKMY-HKBOAZHASA-N 2 1 371.500 2.631 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110005965 1001280382 /nfs/dbraw/zinc/28/03/82/1001280382.db2.gz OCXILMAWRMXKMY-HKBOAZHASA-N 2 1 371.500 2.631 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001112552535 1001462807 /nfs/dbraw/zinc/46/28/07/1001462807.db2.gz CFKRCBNJAHTLLS-RXVVDRJESA-N 2 1 365.481 2.675 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574455 1005308043 /nfs/dbraw/zinc/30/80/43/1005308043.db2.gz OSOQLQLPKMWIDP-RLLQIKCJSA-N 2 1 373.545 2.526 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001086721156 1006279294 /nfs/dbraw/zinc/27/92/94/1006279294.db2.gz JFMZUMPNGIXNOE-DSKINZAPSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001086721156 1006279306 /nfs/dbraw/zinc/27/93/06/1006279306.db2.gz JFMZUMPNGIXNOE-DSKINZAPSA-N 2 1 371.500 2.606 20 30 FFEDMP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000820489479 1008340747 /nfs/dbraw/zinc/34/07/47/1008340747.db2.gz FXEIPWSDZJGQFU-WOJBJXKFSA-N 2 1 374.504 2.558 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093805891 1010582104 /nfs/dbraw/zinc/58/21/04/1010582104.db2.gz LZCSDESZRFRWSJ-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC001093832876 1010603833 /nfs/dbraw/zinc/60/38/33/1010603833.db2.gz FJELAJLWGPYOSM-SJBKTWHCSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC001093832876 1010603844 /nfs/dbraw/zinc/60/38/44/1010603844.db2.gz FJELAJLWGPYOSM-SJBKTWHCSA-N 2 1 367.537 2.585 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094433806 1011118370 /nfs/dbraw/zinc/11/83/70/1011118370.db2.gz DNLZJSROLLVSPX-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433806 1011118377 /nfs/dbraw/zinc/11/83/77/1011118377.db2.gz DNLZJSROLLVSPX-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094433806 1011118381 /nfs/dbraw/zinc/11/83/81/1011118381.db2.gz DNLZJSROLLVSPX-KCZVDYSFSA-N 2 1 357.542 2.778 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537237 1011199343 /nfs/dbraw/zinc/19/93/43/1011199343.db2.gz TVXJYPVRBHTYKC-IFMALSPDSA-N 2 1 353.510 2.746 20 30 FFEDMP C[C@@H]1CC2(C[NH+]1CC#CC[N@@H+]1CC3(C[C@H]1C)CCOCC3)CCOCC2 ZINC000646095829 1011741032 /nfs/dbraw/zinc/74/10/32/1011741032.db2.gz ASDSXJSXHUMTCD-WOJBJXKFSA-N 2 1 360.542 2.772 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000303782277 1012427560 /nfs/dbraw/zinc/42/75/60/1012427560.db2.gz NCGZBTVJGXMBGJ-FQEVSTJZSA-N 3 1 357.546 2.561 20 30 FFEDMP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000303777541 1012427931 /nfs/dbraw/zinc/42/79/31/1012427931.db2.gz IXSWXYXGZWLKMY-SFHVURJKSA-N 2 1 368.481 2.747 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000303783980 1012428435 /nfs/dbraw/zinc/42/84/35/1012428435.db2.gz OTAXXQZRUAUAJR-HXUWFJFHSA-N 3 1 357.546 2.561 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000303788138 1012430891 /nfs/dbraw/zinc/43/08/91/1012430891.db2.gz TYGJTTPGVHRQBP-RXVVDRJESA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303788138 1012430901 /nfs/dbraw/zinc/43/09/01/1012430901.db2.gz TYGJTTPGVHRQBP-RXVVDRJESA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303788138 1012430917 /nfs/dbraw/zinc/43/09/17/1012430917.db2.gz TYGJTTPGVHRQBP-RXVVDRJESA-N 3 1 371.573 2.950 20 30 FFEDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000303970547 1012546483 /nfs/dbraw/zinc/54/64/83/1012546483.db2.gz CQXSEFIENMZTPD-SFHVURJKSA-N 2 1 371.529 2.528 20 30 FFEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC001173429013 1012588965 /nfs/dbraw/zinc/58/89/65/1012588965.db2.gz PYOJBAKWUDHOBZ-UTKZUKDTSA-N 2 1 368.525 2.871 20 30 FFEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743212 1012950249 /nfs/dbraw/zinc/95/02/49/1012950249.db2.gz NRDUKOYHKVZGCG-JOCHJYFZSA-N 2 1 353.510 2.895 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000828478347 1032718188 /nfs/dbraw/zinc/71/81/88/1032718188.db2.gz SJNZRMDPZNVZOY-OAQYLSRUSA-N 2 1 367.537 2.545 20 30 FFEDMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001097639024 1017739061 /nfs/dbraw/zinc/73/90/61/1017739061.db2.gz LUMMYBZNWNHUIU-AQNXPRMDSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001097639024 1017739069 /nfs/dbraw/zinc/73/90/69/1017739069.db2.gz LUMMYBZNWNHUIU-AQNXPRMDSA-N 2 1 366.509 2.654 20 30 FFEDMP CN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000827685475 1018611091 /nfs/dbraw/zinc/61/10/91/1018611091.db2.gz NKISKQCRPXKYPK-VQTJNVASSA-N 2 1 373.566 2.895 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704511 1018843613 /nfs/dbraw/zinc/84/36/13/1018843613.db2.gz YTTJDEJRUIWWLM-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704511 1018843636 /nfs/dbraw/zinc/84/36/36/1018843636.db2.gz YTTJDEJRUIWWLM-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001041704511 1018843654 /nfs/dbraw/zinc/84/36/54/1018843654.db2.gz YTTJDEJRUIWWLM-FUPPJEDESA-N 2 1 367.537 2.832 20 30 FFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001096020345 1019946439 /nfs/dbraw/zinc/94/64/39/1019946439.db2.gz AWYUUYZKOROTPO-AYBZRNKSSA-N 2 1 358.486 2.572 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001096020345 1019946446 /nfs/dbraw/zinc/94/64/46/1019946446.db2.gz AWYUUYZKOROTPO-AYBZRNKSSA-N 2 1 358.486 2.572 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931440290 1020466524 /nfs/dbraw/zinc/46/65/24/1020466524.db2.gz UTHWZBGPKPOHBC-GBESFXJTSA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931440290 1020466528 /nfs/dbraw/zinc/46/65/28/1020466528.db2.gz UTHWZBGPKPOHBC-GBESFXJTSA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931440290 1020466533 /nfs/dbraw/zinc/46/65/33/1020466533.db2.gz UTHWZBGPKPOHBC-GBESFXJTSA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000931440290 1020466535 /nfs/dbraw/zinc/46/65/35/1020466535.db2.gz UTHWZBGPKPOHBC-GBESFXJTSA-N 2 1 354.498 2.514 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931440290 1020466542 /nfs/dbraw/zinc/46/65/42/1020466542.db2.gz UTHWZBGPKPOHBC-GBESFXJTSA-N 2 1 354.498 2.514 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccsc2)C3)CC1 ZINC001099174451 1021999590 /nfs/dbraw/zinc/99/95/90/1021999590.db2.gz NHHRCKJUXLOGTB-FPOVZHCZSA-N 2 1 371.550 2.564 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001118091202 1022061468 /nfs/dbraw/zinc/06/14/68/1022061468.db2.gz UGICPRONTHQVTE-HXUWFJFHSA-N 2 1 362.477 2.999 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147132 1022096973 /nfs/dbraw/zinc/09/69/73/1022096973.db2.gz PZEDYAAOYHTFPD-NMLBUPMWSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147132 1022096989 /nfs/dbraw/zinc/09/69/89/1022096989.db2.gz PZEDYAAOYHTFPD-NMLBUPMWSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C(F)(F)F ZINC001099252816 1022166888 /nfs/dbraw/zinc/16/68/88/1022166888.db2.gz BJBLQLXCRVARIT-BFHYXJOUSA-N 2 1 358.408 2.562 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345461 1022337161 /nfs/dbraw/zinc/33/71/61/1022337161.db2.gz AYKAQQPNVNBPTA-MGPQQGTHSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345461 1022337171 /nfs/dbraw/zinc/33/71/71/1022337171.db2.gz AYKAQQPNVNBPTA-MGPQQGTHSA-N 2 1 367.843 2.592 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001218298971 1033092329 /nfs/dbraw/zinc/09/23/29/1033092329.db2.gz LWGMBGQCMPXHCP-VQTJNVASSA-N 2 1 370.497 2.830 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001122401770 1023246659 /nfs/dbraw/zinc/24/66/59/1023246659.db2.gz FMUJNHMPJIGBNQ-IRXDYDNUSA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001122514072 1023314191 /nfs/dbraw/zinc/31/41/91/1023314191.db2.gz NKPFLBPGLFXREZ-ZWKOTPCHSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001491172588 1023321259 /nfs/dbraw/zinc/32/12/59/1023321259.db2.gz HYOJEYYPPQXLHS-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001111298680 1023672585 /nfs/dbraw/zinc/67/25/85/1023672585.db2.gz KVEWJJUWUOYCTP-OLMNPRSZSA-N 2 1 360.527 2.573 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001111298680 1023672592 /nfs/dbraw/zinc/67/25/92/1023672592.db2.gz KVEWJJUWUOYCTP-OLMNPRSZSA-N 2 1 360.527 2.573 20 30 FFEDMP C=CCn1c(CCn2cc[nH+]c2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001121613842 1023882450 /nfs/dbraw/zinc/88/24/50/1023882450.db2.gz GSOOQKLBETVFCY-UHFFFAOYSA-N 2 1 371.533 2.522 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244579 1024172879 /nfs/dbraw/zinc/17/28/79/1024172879.db2.gz WWHWHRXYMKVTDN-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244579 1024172884 /nfs/dbraw/zinc/17/28/84/1024172884.db2.gz WWHWHRXYMKVTDN-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244579 1024172889 /nfs/dbraw/zinc/17/28/89/1024172889.db2.gz WWHWHRXYMKVTDN-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001101244579 1024172896 /nfs/dbraw/zinc/17/28/96/1024172896.db2.gz WWHWHRXYMKVTDN-PBEJRMEISA-N 2 1 371.529 2.537 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624975 1033253118 /nfs/dbraw/zinc/25/31/18/1033253118.db2.gz ZDTVLGUPIGLYIQ-SLFFLAALSA-N 2 1 367.578 2.989 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984762 1025244927 /nfs/dbraw/zinc/24/49/27/1025244927.db2.gz JZOGTIQUWUGDNM-VNQPRFMTSA-N 2 1 352.910 2.833 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984762 1025244931 /nfs/dbraw/zinc/24/49/31/1025244931.db2.gz JZOGTIQUWUGDNM-VNQPRFMTSA-N 2 1 352.910 2.833 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059310 1025378020 /nfs/dbraw/zinc/37/80/20/1025378020.db2.gz KLJUKXTWCSKNGC-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059310 1025378028 /nfs/dbraw/zinc/37/80/28/1025378028.db2.gz KLJUKXTWCSKNGC-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059310 1025378038 /nfs/dbraw/zinc/37/80/38/1025378038.db2.gz KLJUKXTWCSKNGC-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103085018 1026945264 /nfs/dbraw/zinc/94/52/64/1026945264.db2.gz AMOWAQVAVIWNJF-BMFZPTHFSA-N 2 1 350.894 2.587 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103085018 1026945272 /nfs/dbraw/zinc/94/52/72/1026945272.db2.gz AMOWAQVAVIWNJF-BMFZPTHFSA-N 2 1 350.894 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001103103341 1026964658 /nfs/dbraw/zinc/96/46/58/1026964658.db2.gz DPIVLAAEEWGEAW-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001103103341 1026964662 /nfs/dbraw/zinc/96/46/62/1026964662.db2.gz DPIVLAAEEWGEAW-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@H]1C ZINC001103103341 1026964667 /nfs/dbraw/zinc/96/46/67/1026964667.db2.gz DPIVLAAEEWGEAW-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@H]1C ZINC001103103341 1026964668 /nfs/dbraw/zinc/96/46/68/1026964668.db2.gz DPIVLAAEEWGEAW-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103147837 1027003855 /nfs/dbraw/zinc/00/38/55/1027003855.db2.gz CCVTWWUPPKJWJB-QFUCXCTJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103147837 1027003862 /nfs/dbraw/zinc/00/38/62/1027003862.db2.gz CCVTWWUPPKJWJB-QFUCXCTJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103147837 1027003870 /nfs/dbraw/zinc/00/38/70/1027003870.db2.gz CCVTWWUPPKJWJB-QFUCXCTJSA-N 2 1 368.525 2.617 20 30 FFEDMP N#Cc1c(Nc2cccc(CC[NH+]3CCOCC3)c2)sc2c1CC[NH2+]C2 ZINC001159159662 1027290078 /nfs/dbraw/zinc/29/00/78/1027290078.db2.gz NATAINGPTBMPND-UHFFFAOYSA-N 2 1 368.506 2.884 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001103662768 1027921782 /nfs/dbraw/zinc/92/17/82/1027921782.db2.gz PTTCTSXNDHPVLH-UYAOXDASSA-N 2 1 370.541 2.864 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103662768 1027921795 /nfs/dbraw/zinc/92/17/95/1027921795.db2.gz PTTCTSXNDHPVLH-UYAOXDASSA-N 2 1 370.541 2.864 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103662768 1027921814 /nfs/dbraw/zinc/92/18/14/1027921814.db2.gz PTTCTSXNDHPVLH-UYAOXDASSA-N 2 1 370.541 2.864 20 30 FFEDMP N#Cc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc2ccc(Cl)cc12 ZINC001155382437 1028708779 /nfs/dbraw/zinc/70/87/79/1028708779.db2.gz NMORGQXSALSXSL-INIZCTEOSA-N 2 1 355.873 2.619 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794952 1029469500 /nfs/dbraw/zinc/46/95/00/1029469500.db2.gz SJXRPPFRZBYHHB-LPHOPBHVSA-N 2 1 362.905 2.631 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111794952 1029469503 /nfs/dbraw/zinc/46/95/03/1029469503.db2.gz SJXRPPFRZBYHHB-LPHOPBHVSA-N 2 1 362.905 2.631 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)CCC=C)C3)CC1 ZINC001112004172 1029852480 /nfs/dbraw/zinc/85/24/80/1029852480.db2.gz OBJJDLLSRFSCMT-VCOUNFBDSA-N 2 1 357.542 2.657 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001112110471 1030029461 /nfs/dbraw/zinc/02/94/61/1030029461.db2.gz QVODOKYBKNUFFA-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205313023 1031664729 /nfs/dbraw/zinc/66/47/29/1031664729.db2.gz NTBXIWTYGNLJBB-DZFGPLHGSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000829804731 1033347067 /nfs/dbraw/zinc/34/70/67/1033347067.db2.gz KZFDFOBGBYZWKA-SBHAEUEKSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000829804731 1033347076 /nfs/dbraw/zinc/34/70/76/1033347076.db2.gz KZFDFOBGBYZWKA-SBHAEUEKSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000829804731 1033347091 /nfs/dbraw/zinc/34/70/91/1033347091.db2.gz KZFDFOBGBYZWKA-SBHAEUEKSA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001223505731 1033474485 /nfs/dbraw/zinc/47/44/85/1033474485.db2.gz QCRRQKQMDIIOGT-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001223505731 1033474492 /nfs/dbraw/zinc/47/44/92/1033474492.db2.gz QCRRQKQMDIIOGT-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225546082 1034300104 /nfs/dbraw/zinc/30/01/04/1034300104.db2.gz LMHRVXXKRIXDLI-IBGZPJMESA-N 2 1 350.422 2.710 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC001220868366 1034437553 /nfs/dbraw/zinc/43/75/53/1034437553.db2.gz HFJNWNCPRRIYMV-SJORKVTESA-N 2 1 369.431 2.732 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226160776 1034551809 /nfs/dbraw/zinc/55/18/09/1034551809.db2.gz KXHDBJCLELIMKI-VSKRKVRLSA-N 2 1 367.537 2.928 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001226773648 1034831214 /nfs/dbraw/zinc/83/12/14/1034831214.db2.gz HKUGXZFTFSSBHR-VAMGGRTRSA-N 2 1 363.546 2.613 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001227165649 1034958488 /nfs/dbraw/zinc/95/84/88/1034958488.db2.gz OOUHPOIOVFTHCI-RTBURBONSA-N 2 1 356.514 2.806 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001277840440 1036967425 /nfs/dbraw/zinc/96/74/25/1036967425.db2.gz FWHKPAOSIOZFSP-XUVXKRRUSA-N 2 1 365.562 2.501 20 30 FFEDMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1C#N ZINC001207105805 1037149693 /nfs/dbraw/zinc/14/96/93/1037149693.db2.gz BIEFDGBJPCGLCH-UHFFFAOYSA-N 2 1 364.493 2.764 20 30 FFEDMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001236067285 1037913278 /nfs/dbraw/zinc/91/32/78/1037913278.db2.gz RZNRQEIJMUXKFI-QFIPXVFZSA-N 2 1 362.473 2.799 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)ccc3[O-])C2)C1 ZINC001278894531 1038231784 /nfs/dbraw/zinc/23/17/84/1038231784.db2.gz DTWWIYMXQZQEKT-NRFANRHFSA-N 2 1 356.514 2.503 20 30 FFEDMP C=C(C)CN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610314 1038642959 /nfs/dbraw/zinc/64/29/59/1038642959.db2.gz PARZXCRXUCYCNL-IRLDBZIGSA-N 2 1 355.526 2.832 20 30 FFEDMP C=C1C[C@@H]2CC(N3CCCn4nnc(Cn5ccnc5)c4C3)C[C@H](C1)C2 ZINC001257892403 1039043309 /nfs/dbraw/zinc/04/33/09/1039043309.db2.gz YINWMBKHCRODLV-JWTNVVGKSA-N 2 1 352.486 2.864 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001246034175 1039205451 /nfs/dbraw/zinc/20/54/51/1039205451.db2.gz JLPYCJGKGUIZMX-ZVDOUQERSA-N 2 1 368.562 2.963 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727830 1039492076 /nfs/dbraw/zinc/49/20/76/1039492076.db2.gz JLISJZZVNJIRAL-RXVVDRJESA-N 2 1 373.545 2.816 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCCN(c1cc[nH+]c(N(C)C)n1)C2 ZINC001258727830 1039492079 /nfs/dbraw/zinc/49/20/79/1039492079.db2.gz JLISJZZVNJIRAL-RXVVDRJESA-N 2 1 373.545 2.816 20 30 FFEDMP CCC1(C[NH+]2CCC3(CC[N@@H+](Cc4cc(C#N)n(C)c4)C3)CC2)COC1 ZINC001278472793 1039530305 /nfs/dbraw/zinc/53/03/05/1039530305.db2.gz WRMOPEHZBRGAMO-UHFFFAOYSA-N 2 1 356.514 2.611 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001213523828 1040638671 /nfs/dbraw/zinc/63/86/71/1040638671.db2.gz ZNBQYSMTIGOZEG-VAMGGRTRSA-N 2 1 365.562 2.813 20 30 FFEDMP C=CCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132287 1041166308 /nfs/dbraw/zinc/16/63/08/1041166308.db2.gz TVQIWULULOYORB-BURNTYAHSA-N 2 1 353.510 2.949 20 30 FFEDMP C=CCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132287 1041166311 /nfs/dbraw/zinc/16/63/11/1041166311.db2.gz TVQIWULULOYORB-BURNTYAHSA-N 2 1 353.510 2.949 20 30 FFEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001261552658 1041305052 /nfs/dbraw/zinc/30/50/52/1041305052.db2.gz ZAVITPTYAYSMHY-MRXNPFEDSA-N 2 1 368.485 2.899 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263331458 1042244293 /nfs/dbraw/zinc/24/42/93/1042244293.db2.gz PMDMYVNKHLBLOY-RTBURBONSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001264578985 1042727017 /nfs/dbraw/zinc/72/70/17/1042727017.db2.gz JPDSPDHROBQMLN-AQNXPRMDSA-N 2 1 365.562 2.670 20 30 FFEDMP C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001264578985 1042727021 /nfs/dbraw/zinc/72/70/21/1042727021.db2.gz JPDSPDHROBQMLN-AQNXPRMDSA-N 2 1 365.562 2.670 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1Cl)CC2 ZINC001279320396 1042998960 /nfs/dbraw/zinc/99/89/60/1042998960.db2.gz PQNLOOXQUNVTJH-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP N#Cc1ccc2nc(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)cn2c1 ZINC001237608573 1043268433 /nfs/dbraw/zinc/26/84/33/1043268433.db2.gz ICCXQOPTONWDOH-UHFFFAOYSA-N 2 1 367.497 2.530 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1 ZINC001279594872 1043311662 /nfs/dbraw/zinc/31/16/62/1043311662.db2.gz DZLYMEBYTFTQDE-QFIPXVFZSA-N 2 1 355.526 2.548 20 30 FFEDMP C=CCc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001279605191 1043330763 /nfs/dbraw/zinc/33/07/63/1043330763.db2.gz XUKGIUFGJDIRNW-BGYRXZFFSA-N 2 1 357.542 2.826 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001279605191 1043330773 /nfs/dbraw/zinc/33/07/73/1043330773.db2.gz XUKGIUFGJDIRNW-BGYRXZFFSA-N 2 1 357.542 2.826 20 30 FFEDMP C=CCc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001279605191 1043330787 /nfs/dbraw/zinc/33/07/87/1043330787.db2.gz XUKGIUFGJDIRNW-BGYRXZFFSA-N 2 1 357.542 2.826 20 30 FFEDMP C=CCc1cccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001279605191 1043330797 /nfs/dbraw/zinc/33/07/97/1043330797.db2.gz XUKGIUFGJDIRNW-BGYRXZFFSA-N 2 1 357.542 2.826 20 30 FFEDMP C=CCc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001279605191 1043330810 /nfs/dbraw/zinc/33/08/10/1043330810.db2.gz XUKGIUFGJDIRNW-BGYRXZFFSA-N 2 1 357.542 2.826 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001317240376 1045068908 /nfs/dbraw/zinc/06/89/08/1045068908.db2.gz GJFBZTUVNAIDLU-AYOQOUSVSA-N 2 1 361.917 2.516 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001317240378 1045069297 /nfs/dbraw/zinc/06/92/97/1045069297.db2.gz GJFBZTUVNAIDLU-ZYSHUDEJSA-N 2 1 361.917 2.516 20 30 FFEDMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1C#N ZINC001325156905 1046397531 /nfs/dbraw/zinc/39/75/31/1046397531.db2.gz ITSMXHZYKDOSKB-UHFFFAOYSA-N 2 1 364.493 2.604 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001341852107 1050462899 /nfs/dbraw/zinc/46/28/99/1050462899.db2.gz AFMOJJPKMUVMGA-UHFFFAOYSA-N 2 1 371.533 2.569 20 30 FFEDMP C=CCn1c([C@@H]2CCCCN2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001340263780 1050668572 /nfs/dbraw/zinc/66/85/72/1050668572.db2.gz ISPCSROMHPRLAQ-KURKYZTESA-N 2 1 360.550 2.787 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001342355254 1050950768 /nfs/dbraw/zinc/95/07/68/1050950768.db2.gz OLNBBXOVTPBYAW-FHWLQOOXSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001342355254 1050950777 /nfs/dbraw/zinc/95/07/77/1050950777.db2.gz OLNBBXOVTPBYAW-FHWLQOOXSA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001342355254 1050950789 /nfs/dbraw/zinc/95/07/89/1050950789.db2.gz OLNBBXOVTPBYAW-FHWLQOOXSA-N 2 1 374.577 2.830 20 30 FFEDMP CCC#C[C@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307508332 1052315009 /nfs/dbraw/zinc/31/50/09/1052315009.db2.gz TZCIUPCZXSYAAQ-IBGZPJMESA-N 2 1 355.526 2.749 20 30 FFEDMP C=CC(C)(C)Cc1nnc(N2CCC[N@H+](C3CCN(CC)CC3)CC2)n1C ZINC001338797781 1055825262 /nfs/dbraw/zinc/82/52/62/1055825262.db2.gz PCOFCRRMYAUTSA-UHFFFAOYSA-N 2 1 374.577 2.566 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001100156046 1055844843 /nfs/dbraw/zinc/84/48/43/1055844843.db2.gz NSJXSUKIXRYTRA-PWRODBHTSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CCOc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000847474180 1055868692 /nfs/dbraw/zinc/86/86/92/1055868692.db2.gz WZHLJDZWSYMCFP-UHFFFAOYSA-N 2 1 369.509 2.833 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC001359264303 1056959308 /nfs/dbraw/zinc/95/93/08/1056959308.db2.gz AUGMVQOCDIIVCV-UYAOXDASSA-N 2 1 374.577 2.816 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001520460295 1059702365 /nfs/dbraw/zinc/70/23/65/1059702365.db2.gz TUYUIYBMKUSBSV-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c(CN2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001520590414 1059840501 /nfs/dbraw/zinc/84/05/01/1059840501.db2.gz PWQUQGPWKQSRRO-UHFFFAOYSA-N 2 1 358.534 2.515 20 30 FFEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001493836024 1063234639 /nfs/dbraw/zinc/23/46/39/1063234639.db2.gz HUZMGAMRYZFOME-BWAGFHJFSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001467577884 1063788777 /nfs/dbraw/zinc/78/87/77/1063788777.db2.gz OKXKJVQOLIIEKA-IBGZPJMESA-N 2 1 360.546 2.572 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001467577884 1063788788 /nfs/dbraw/zinc/78/87/88/1063788788.db2.gz OKXKJVQOLIIEKA-IBGZPJMESA-N 2 1 360.546 2.572 20 30 FFEDMP C#Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC001563327166 1076541842 /nfs/dbraw/zinc/54/18/42/1076541842.db2.gz BRTDPMNERDNHTQ-AWEZNQCLSA-N 2 1 350.894 2.715 20 30 FFEDMP C#Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC001563327166 1076541843 /nfs/dbraw/zinc/54/18/43/1076541843.db2.gz BRTDPMNERDNHTQ-AWEZNQCLSA-N 2 1 350.894 2.715 20 30 FFEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001571163256 1077244418 /nfs/dbraw/zinc/24/44/18/1077244418.db2.gz OKKIWDREIFCXTE-WLRLJWMZSA-N 2 1 355.526 2.782 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076984255 508271201 /nfs/dbraw/zinc/27/12/01/508271201.db2.gz JUHSUBHVCJLUQZ-SFHVURJKSA-N 2 1 356.514 2.553 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000076984255 508271202 /nfs/dbraw/zinc/27/12/02/508271202.db2.gz JUHSUBHVCJLUQZ-SFHVURJKSA-N 2 1 356.514 2.553 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201179 508286270 /nfs/dbraw/zinc/28/62/70/508286270.db2.gz GTDPESYUEAABBG-IBGZPJMESA-N 2 1 357.502 2.632 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106265945 508398767 /nfs/dbraw/zinc/39/87/67/508398767.db2.gz AFFJPBUJYQQLPI-KRWDZBQOSA-N 2 1 350.551 2.837 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106335221 508399460 /nfs/dbraw/zinc/39/94/60/508399460.db2.gz XYLVZYQDPOSMKH-FGTMMUONSA-N 2 1 350.551 2.693 20 30 FFEDMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000122104137 508481858 /nfs/dbraw/zinc/48/18/58/508481858.db2.gz XZGGLKQALRPBHT-OAQYLSRUSA-N 2 1 359.514 2.662 20 30 FFEDMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119870579 508880870 /nfs/dbraw/zinc/88/08/70/508880870.db2.gz KARBWUWGTAUVKY-KRWDZBQOSA-N 2 1 364.497 2.683 20 30 FFEDMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119870579 508880873 /nfs/dbraw/zinc/88/08/73/508880873.db2.gz KARBWUWGTAUVKY-KRWDZBQOSA-N 2 1 364.497 2.683 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248398582 509293707 /nfs/dbraw/zinc/29/37/07/509293707.db2.gz NMWGPSDFZDRMAW-JZZBYWGLSA-N 2 1 370.541 2.787 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248398582 509293714 /nfs/dbraw/zinc/29/37/14/509293714.db2.gz NMWGPSDFZDRMAW-JZZBYWGLSA-N 2 1 370.541 2.787 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C[C@H](C)O1 ZINC000170911286 509843141 /nfs/dbraw/zinc/84/31/41/509843141.db2.gz KTWMRHQEHSAERL-IYBDPMFKSA-N 2 1 353.470 2.618 20 30 FFEDMP CC(C)(CCC#N)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000174282848 510038607 /nfs/dbraw/zinc/03/86/07/510038607.db2.gz PWMZFSQSDOMZLD-UHFFFAOYSA-N 2 1 372.513 2.767 20 30 FFEDMP N#Cc1csc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000177698378 510204245 /nfs/dbraw/zinc/20/42/45/510204245.db2.gz DVFKXHIGIHGUSG-GOSISDBHSA-N 2 1 368.506 2.607 20 30 FFEDMP CCC[NH+]1CCC(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000329999604 510897300 /nfs/dbraw/zinc/89/73/00/510897300.db2.gz VAEJWCSILAEMBP-UHFFFAOYSA-N 2 1 358.490 2.649 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000330016843 510900855 /nfs/dbraw/zinc/90/08/55/510900855.db2.gz QEROVAPNUDBDPD-MQVJKMGUSA-N 2 1 356.474 2.543 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330016843 510900858 /nfs/dbraw/zinc/90/08/58/510900858.db2.gz QEROVAPNUDBDPD-MQVJKMGUSA-N 2 1 356.474 2.543 20 30 FFEDMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCO1 ZINC000277279961 510957990 /nfs/dbraw/zinc/95/79/90/510957990.db2.gz JYJYAGBMUQDUHK-ZDUSSCGKSA-N 2 1 374.407 2.813 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282495118 511000572 /nfs/dbraw/zinc/00/05/72/511000572.db2.gz MWJSPIFZWGDUCZ-LJQANCHMSA-N 2 1 356.514 2.639 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282495118 511000576 /nfs/dbraw/zinc/00/05/76/511000576.db2.gz MWJSPIFZWGDUCZ-LJQANCHMSA-N 2 1 356.514 2.639 20 30 FFEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000272621012 511500969 /nfs/dbraw/zinc/50/09/69/511500969.db2.gz UTVPVLDQPGMLHU-GOSISDBHSA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@@H]1[C@H](C)N(C(=O)Nc2nc(CN3CCCCC3)cs2)CC[N@@H+]1C ZINC000329131622 511990251 /nfs/dbraw/zinc/99/02/51/511990251.db2.gz XXCLLMVDZFFZFB-KGLIPLIRSA-N 2 1 351.520 2.699 20 30 FFEDMP C[C@@H]1[C@H](C)N(C(=O)Nc2nc(CN3CCCCC3)cs2)CCN1C ZINC000329131622 511990260 /nfs/dbraw/zinc/99/02/60/511990260.db2.gz XXCLLMVDZFFZFB-KGLIPLIRSA-N 2 1 351.520 2.699 20 30 FFEDMP C[C@H]1[NH+](CC#CC[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000367461507 512510384 /nfs/dbraw/zinc/51/03/84/512510384.db2.gz AGWZLQJFBPMNII-WOJBJXKFSA-N 2 1 360.542 2.772 20 30 FFEDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)cn1 ZINC000425238822 513468110 /nfs/dbraw/zinc/46/81/10/513468110.db2.gz VPTVSDMJFUESEX-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000413246959 513546595 /nfs/dbraw/zinc/54/65/95/513546595.db2.gz UVRFNPOHIFJRFS-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000413246959 513546598 /nfs/dbraw/zinc/54/65/98/513546598.db2.gz UVRFNPOHIFJRFS-LJQANCHMSA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000493805154 515665890 /nfs/dbraw/zinc/66/58/90/515665890.db2.gz BYVXGEWCXBKTIP-UHFFFAOYSA-N 2 1 356.514 2.553 20 30 FFEDMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000512659067 516319522 /nfs/dbraw/zinc/31/95/22/516319522.db2.gz CPCNHQRKCCREPH-OAHLLOKOSA-N 2 1 368.456 2.840 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362444 516378296 /nfs/dbraw/zinc/37/82/96/516378296.db2.gz APHPFZVEKVCWJP-TZIWHRDSSA-N 2 1 371.525 2.742 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528362444 516378308 /nfs/dbraw/zinc/37/83/08/516378308.db2.gz APHPFZVEKVCWJP-TZIWHRDSSA-N 2 1 371.525 2.742 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)C(C)C ZINC000551655030 516806346 /nfs/dbraw/zinc/80/63/46/516806346.db2.gz CHMVICBQPXUOBU-SFHVURJKSA-N 2 1 359.518 2.717 20 30 FFEDMP N#CC1(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000527135296 517520968 /nfs/dbraw/zinc/52/09/68/517520968.db2.gz HKRZWLZQXLIEGP-UHFFFAOYSA-N 2 1 366.509 2.537 20 30 FFEDMP N#CC1(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000527135296 517520981 /nfs/dbraw/zinc/52/09/81/517520981.db2.gz HKRZWLZQXLIEGP-UHFFFAOYSA-N 2 1 366.509 2.537 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cnc12 ZINC000549761185 517693436 /nfs/dbraw/zinc/69/34/36/517693436.db2.gz HMBKLUVZPRJWSX-UHFFFAOYSA-N 2 1 360.465 2.877 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000576535611 518639920 /nfs/dbraw/zinc/63/99/20/518639920.db2.gz VSVMQIPNOSYCQN-FGZHOGPDSA-N 2 1 360.542 2.772 20 30 FFEDMP C[N@H+]1CCC[C@H](CNCc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420876 518745609 /nfs/dbraw/zinc/74/56/09/518745609.db2.gz NAPDZYTZPSIITB-QAPCUYQASA-N 2 1 366.494 2.835 20 30 FFEDMP CN1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420876 518745615 /nfs/dbraw/zinc/74/56/15/518745615.db2.gz NAPDZYTZPSIITB-QAPCUYQASA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420876 518745622 /nfs/dbraw/zinc/74/56/22/518745622.db2.gz NAPDZYTZPSIITB-QAPCUYQASA-N 2 1 366.494 2.835 20 30 FFEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H]1c1cccs1 ZINC000582420876 518745627 /nfs/dbraw/zinc/74/56/27/518745627.db2.gz NAPDZYTZPSIITB-QAPCUYQASA-N 2 1 366.494 2.835 20 30 FFEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000590052000 519138119 /nfs/dbraw/zinc/13/81/19/519138119.db2.gz QCYGVUTWSRCZEA-FQEVSTJZSA-N 2 1 366.465 2.547 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccc(C#N)cc4C3)CC2)CC1 ZINC000594401447 519941493 /nfs/dbraw/zinc/94/14/93/519941493.db2.gz YTNBVFDQVGDGFP-UHFFFAOYSA-N 2 1 366.509 2.597 20 30 FFEDMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439864 519966516 /nfs/dbraw/zinc/96/65/16/519966516.db2.gz VOGUGJDTVZBEOB-UXHICEINSA-N 2 1 356.514 2.768 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443098 519968657 /nfs/dbraw/zinc/96/86/57/519968657.db2.gz LIJVJNYEIRRZCS-ACRUOGEOSA-N 2 1 368.525 2.911 20 30 FFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600716449 520418002 /nfs/dbraw/zinc/41/80/02/520418002.db2.gz LKJUXUWJFNOZJS-HXUWFJFHSA-N 2 1 359.514 2.688 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1 ZINC000600717525 520419428 /nfs/dbraw/zinc/41/94/28/520419428.db2.gz BNPVZPAUKLQUJP-HXUWFJFHSA-N 2 1 353.466 2.539 20 30 FFEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000600736961 520435049 /nfs/dbraw/zinc/43/50/49/520435049.db2.gz TZDDNHIFVQYSQA-PLACYPQZSA-N 2 1 353.510 2.931 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599355098 521171469 /nfs/dbraw/zinc/17/14/69/521171469.db2.gz UEUOQOOUXSXYNO-OXJNMPFZSA-N 2 1 368.481 2.903 20 30 FFEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596657163 521194852 /nfs/dbraw/zinc/19/48/52/521194852.db2.gz JLSCQYXNEQFWNT-IBGZPJMESA-N 2 1 371.529 2.504 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4nc[nH]c4C3)sc2C1 ZINC000599429745 521218373 /nfs/dbraw/zinc/21/83/73/521218373.db2.gz JKDFZPPEHOLRKZ-GFCCVEGCSA-N 2 1 369.494 2.855 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4nc[nH]c4C3)sc2C1 ZINC000599429745 521218382 /nfs/dbraw/zinc/21/83/82/521218382.db2.gz JKDFZPPEHOLRKZ-GFCCVEGCSA-N 2 1 369.494 2.855 20 30 FFEDMP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000597129088 521525768 /nfs/dbraw/zinc/52/57/68/521525768.db2.gz MIBUZFHLWNMJFH-OAQYLSRUSA-N 2 1 352.526 2.842 20 30 FFEDMP C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083128875 728410570 /nfs/dbraw/zinc/41/05/70/728410570.db2.gz NFEFSJTYQIXWAW-HNNXBMFYSA-N 2 1 355.511 2.712 20 30 FFEDMP C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083128875 728410572 /nfs/dbraw/zinc/41/05/72/728410572.db2.gz NFEFSJTYQIXWAW-HNNXBMFYSA-N 2 1 355.511 2.712 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)C[C@@H]1CCOC1 ZINC000132183799 728723788 /nfs/dbraw/zinc/72/37/88/728723788.db2.gz SDPWRAWESKCXAV-BQFCYCMXSA-N 2 1 364.559 2.675 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCCCO1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262369976 729664745 /nfs/dbraw/zinc/66/47/45/729664745.db2.gz JWCAZVBNAJGKSR-XYJFISCASA-N 2 1 364.559 2.865 20 30 FFEDMP C[NH+]=C(NCc1ccn(C)c1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262397744 729665454 /nfs/dbraw/zinc/66/54/54/729665454.db2.gz NFBGUOUXLHXGAR-FUHWJXTLSA-N 2 1 359.543 2.835 20 30 FFEDMP CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262437111 729665940 /nfs/dbraw/zinc/66/59/40/729665940.db2.gz UBKZFQVWTYOIIY-DIPGFCLESA-N 2 1 350.551 2.760 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(F)(F)F)c1 ZINC000303880529 729735159 /nfs/dbraw/zinc/73/51/59/729735159.db2.gz HGJYZHOLXPSJLQ-CQSZACIVSA-N 2 1 358.408 2.516 20 30 FFEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304472585 729736418 /nfs/dbraw/zinc/73/64/18/729736418.db2.gz FMVSCQKSQKJRCC-CYBMUJFWSA-N 2 1 358.408 2.721 20 30 FFEDMP C[C@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000304760499 729737141 /nfs/dbraw/zinc/73/71/41/729737141.db2.gz SMMWJLFPMSFZFH-OLZOCXBDSA-N 2 1 373.328 2.927 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000304795323 729737367 /nfs/dbraw/zinc/73/73/67/729737367.db2.gz MGOFBJFSBYWFRH-JFIYKMOQSA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304795323 729737369 /nfs/dbraw/zinc/73/73/69/729737369.db2.gz MGOFBJFSBYWFRH-JFIYKMOQSA-N 3 1 363.575 2.520 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304795323 729737371 /nfs/dbraw/zinc/73/73/71/729737371.db2.gz MGOFBJFSBYWFRH-JFIYKMOQSA-N 3 1 363.575 2.520 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000815652759 741950525 /nfs/dbraw/zinc/95/05/25/741950525.db2.gz RNEZTQKSMGAMTP-AWEZNQCLSA-N 2 1 355.404 2.967 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000815652759 741950528 /nfs/dbraw/zinc/95/05/28/741950528.db2.gz RNEZTQKSMGAMTP-AWEZNQCLSA-N 2 1 355.404 2.967 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001104306069 962892160 /nfs/dbraw/zinc/89/21/60/962892160.db2.gz JETFJWVGICDJNG-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001104306069 962892167 /nfs/dbraw/zinc/89/21/67/962892167.db2.gz JETFJWVGICDJNG-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817829 964413030 /nfs/dbraw/zinc/41/30/30/964413030.db2.gz ICVSKASKZCNBGN-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817829 964413038 /nfs/dbraw/zinc/41/30/38/964413038.db2.gz ICVSKASKZCNBGN-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028817829 964413043 /nfs/dbraw/zinc/41/30/43/964413043.db2.gz ICVSKASKZCNBGN-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167962651 964960640 /nfs/dbraw/zinc/96/06/40/964960640.db2.gz ZVTVCVFZCPMHGL-WVVQBRDUSA-N 2 1 367.537 2.887 20 30 FFEDMP C=C(C)COc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000657751669 967401967 /nfs/dbraw/zinc/40/19/67/967401967.db2.gz UDSPZMLFKJDPFM-LJQANCHMSA-N 2 1 360.498 2.993 20 30 FFEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000657751669 967401974 /nfs/dbraw/zinc/40/19/74/967401974.db2.gz UDSPZMLFKJDPFM-LJQANCHMSA-N 2 1 360.498 2.993 20 30 FFEDMP C#CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000162207963 968075109 /nfs/dbraw/zinc/07/51/09/968075109.db2.gz PWAOLPPDHAGEEZ-PMACEKPBSA-N 2 1 362.562 2.769 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167638 968980841 /nfs/dbraw/zinc/98/08/41/968980841.db2.gz WHHUYSYXXJCLCC-HUUCEWRRSA-N 2 1 361.452 2.663 20 30 FFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579688 969830664 /nfs/dbraw/zinc/83/06/64/969830664.db2.gz ORGFGRSKSRFJTB-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001027447891 974524832 /nfs/dbraw/zinc/52/48/32/974524832.db2.gz BDMADUKFMVAXJM-GUDVDZBRSA-N 2 1 363.465 2.508 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001087431543 976043454 /nfs/dbraw/zinc/04/34/54/976043454.db2.gz VGIGFXOGTCEWSE-YPAWHYETSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001087431543 976043466 /nfs/dbraw/zinc/04/34/66/976043466.db2.gz VGIGFXOGTCEWSE-YPAWHYETSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001087431543 976043480 /nfs/dbraw/zinc/04/34/80/976043480.db2.gz VGIGFXOGTCEWSE-YPAWHYETSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001087431543 976043491 /nfs/dbraw/zinc/04/34/91/976043491.db2.gz VGIGFXOGTCEWSE-YPAWHYETSA-N 2 1 367.537 2.714 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764343 976970197 /nfs/dbraw/zinc/97/01/97/976970197.db2.gz QNXKAOOPQUCGTQ-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764343 976970205 /nfs/dbraw/zinc/97/02/05/976970205.db2.gz QNXKAOOPQUCGTQ-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764343 976970211 /nfs/dbraw/zinc/97/02/11/976970211.db2.gz QNXKAOOPQUCGTQ-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001087437931 977171736 /nfs/dbraw/zinc/17/17/36/977171736.db2.gz TVZAODIPLICSLZ-UAFMIMERSA-N 2 1 364.493 2.684 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087438543 977370495 /nfs/dbraw/zinc/37/04/95/977370495.db2.gz CZCCOIPSDUWRCA-FGZHOGPDSA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087438543 977370503 /nfs/dbraw/zinc/37/05/03/977370503.db2.gz CZCCOIPSDUWRCA-FGZHOGPDSA-N 2 1 367.537 2.716 20 30 FFEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCSC(C)(C)C1 ZINC000261799943 978376309 /nfs/dbraw/zinc/37/63/09/978376309.db2.gz GXOQQCJKIRPNPE-UHFFFAOYSA-N 2 1 372.542 2.869 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000668369743 980223297 /nfs/dbraw/zinc/22/32/97/980223297.db2.gz DFTGTVLNCKYJQM-UHFFFAOYSA-N 2 1 366.509 2.926 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000668369743 980223301 /nfs/dbraw/zinc/22/33/01/980223301.db2.gz DFTGTVLNCKYJQM-UHFFFAOYSA-N 2 1 366.509 2.926 20 30 FFEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000969042072 1014759538 /nfs/dbraw/zinc/75/95/38/1014759538.db2.gz GYPXMSDCRUEUTE-VSKRKVRLSA-N 2 1 367.537 2.716 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CCCO[C@@H](C)C3)c2)CCCO1 ZINC000878041517 1014829114 /nfs/dbraw/zinc/82/91/14/1014829114.db2.gz NIGRLGRVTXXQAP-HDICACEKSA-N 2 1 357.498 2.780 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3CCCO[C@@H](C)C3)c2)CCCO1 ZINC000878041517 1014829122 /nfs/dbraw/zinc/82/91/22/1014829122.db2.gz NIGRLGRVTXXQAP-HDICACEKSA-N 2 1 357.498 2.780 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3CCCO[C@@H](C)C3)c2)CCCO1 ZINC000878041517 1014829130 /nfs/dbraw/zinc/82/91/30/1014829130.db2.gz NIGRLGRVTXXQAP-HDICACEKSA-N 2 1 357.498 2.780 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC/C=C/CC)CC2 ZINC001107439911 984541178 /nfs/dbraw/zinc/54/11/78/984541178.db2.gz ZPRNZGBASPHBKF-MWMKVPRTSA-N 2 1 357.542 2.801 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC/C=C/CC)CC2 ZINC001107439911 984541183 /nfs/dbraw/zinc/54/11/83/984541183.db2.gz ZPRNZGBASPHBKF-MWMKVPRTSA-N 2 1 357.542 2.801 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC/C=C/CC)CC2 ZINC001107439911 984541189 /nfs/dbraw/zinc/54/11/89/984541189.db2.gz ZPRNZGBASPHBKF-MWMKVPRTSA-N 2 1 357.542 2.801 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC/C=C/CC)CC2 ZINC001107439911 984541194 /nfs/dbraw/zinc/54/11/94/984541194.db2.gz ZPRNZGBASPHBKF-MWMKVPRTSA-N 2 1 357.542 2.801 20 30 FFEDMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2)[NH+](C)C ZINC001107553368 984682659 /nfs/dbraw/zinc/68/26/59/984682659.db2.gz HVLOEYSPHFLAMH-QZNHQXDQSA-N 2 1 367.537 2.739 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633185 984907896 /nfs/dbraw/zinc/90/78/96/984907896.db2.gz MVQCILMTAHOBDO-IFMALSPDSA-N 2 1 366.509 2.515 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212406550 986196184 /nfs/dbraw/zinc/19/61/84/986196184.db2.gz XSKUABWFHHAKFU-KZNAEPCWSA-N 2 1 362.518 2.546 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212406550 986196187 /nfs/dbraw/zinc/19/61/87/986196187.db2.gz XSKUABWFHHAKFU-KZNAEPCWSA-N 2 1 362.518 2.546 20 30 FFEDMP COCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879127073 1015375826 /nfs/dbraw/zinc/37/58/26/1015375826.db2.gz QJZBNPWBTLGGNG-QFIPXVFZSA-N 2 1 371.525 2.717 20 30 FFEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1-c1ccccc1 ZINC000186880195 989311277 /nfs/dbraw/zinc/31/12/77/989311277.db2.gz JHNVJSIXWOKTTC-UHFFFAOYSA-N 2 1 366.509 2.789 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108251 990168713 /nfs/dbraw/zinc/16/87/13/990168713.db2.gz HWCAKYVCPYUSDS-FSSWDIPSSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766108251 990168720 /nfs/dbraw/zinc/16/87/20/990168720.db2.gz HWCAKYVCPYUSDS-FSSWDIPSSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108251 990168727 /nfs/dbraw/zinc/16/87/27/990168727.db2.gz HWCAKYVCPYUSDS-FSSWDIPSSA-N 2 1 365.521 2.597 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108251 990168730 /nfs/dbraw/zinc/16/87/30/990168730.db2.gz HWCAKYVCPYUSDS-FSSWDIPSSA-N 2 1 365.521 2.597 20 30 FFEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001034741469 990232434 /nfs/dbraw/zinc/23/24/34/990232434.db2.gz JEQWHWIUSCYPQP-NCYKPQTJSA-N 2 1 355.526 2.925 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335282 991074123 /nfs/dbraw/zinc/07/41/23/991074123.db2.gz KRZQWCWOZFBNKP-MOPGFXCFSA-N 2 1 362.514 2.627 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)CC1 ZINC001080704638 993294577 /nfs/dbraw/zinc/29/45/77/993294577.db2.gz CJNOTIMGSMNOGE-DENIHFKCSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)CC1 ZINC001080704638 993294582 /nfs/dbraw/zinc/29/45/82/993294582.db2.gz CJNOTIMGSMNOGE-DENIHFKCSA-N 2 1 367.537 2.595 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@H]2C)CC1 ZINC001080992468 993542583 /nfs/dbraw/zinc/54/25/83/993542583.db2.gz LPSMUVIKRZKDAQ-QIJUGHKUSA-N 2 1 367.537 2.919 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081179630 993739615 /nfs/dbraw/zinc/73/96/15/993739615.db2.gz BDWCTOCKEYGNLJ-SESVDKBCSA-N 2 1 364.493 2.524 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001082567901 994961937 /nfs/dbraw/zinc/96/19/37/994961937.db2.gz KCGJXAURJSNITK-FCEUIQTBSA-N 2 1 367.537 2.646 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001082567901 994961950 /nfs/dbraw/zinc/96/19/50/994961950.db2.gz KCGJXAURJSNITK-FCEUIQTBSA-N 2 1 367.537 2.646 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699772 995296987 /nfs/dbraw/zinc/29/69/87/995296987.db2.gz WYLYHAYAYWIPJK-OLMNPRSZSA-N 2 1 353.938 2.973 20 30 FFEDMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1)[NH+](C)C ZINC001084964689 998399743 /nfs/dbraw/zinc/39/97/43/998399743.db2.gz LOZUHOIIHYINQU-QMMLZNLJSA-N 2 1 368.525 2.567 20 30 FFEDMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1)[NH+](C)C ZINC001084964689 998399754 /nfs/dbraw/zinc/39/97/54/998399754.db2.gz LOZUHOIIHYINQU-QMMLZNLJSA-N 2 1 368.525 2.567 20 30 FFEDMP C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1OC ZINC000903980367 1016355828 /nfs/dbraw/zinc/35/58/28/1016355828.db2.gz PKPXTAGRGZDNEH-BGYRXZFFSA-N 2 1 371.525 2.661 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597692 1002666713 /nfs/dbraw/zinc/66/67/13/1002666713.db2.gz UCYSQCDQRBGMLL-VQTJNVASSA-N 2 1 353.510 2.775 20 30 FFEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180803 1016685207 /nfs/dbraw/zinc/68/52/07/1016685207.db2.gz INEVCJKHFVRVGC-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180803 1016685214 /nfs/dbraw/zinc/68/52/14/1016685214.db2.gz INEVCJKHFVRVGC-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180803 1016685223 /nfs/dbraw/zinc/68/52/23/1016685223.db2.gz INEVCJKHFVRVGC-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086613303 1003363034 /nfs/dbraw/zinc/36/30/34/1003363034.db2.gz MLJXXHVYCFXPSU-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613303 1003363042 /nfs/dbraw/zinc/36/30/42/1003363042.db2.gz MLJXXHVYCFXPSU-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613303 1003363050 /nfs/dbraw/zinc/36/30/50/1003363050.db2.gz MLJXXHVYCFXPSU-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086614583 1003386872 /nfs/dbraw/zinc/38/68/72/1003386872.db2.gz DVFTWRVJDSYZMC-FCHUYYIVSA-N 2 1 361.489 2.579 20 30 FFEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086614583 1003386881 /nfs/dbraw/zinc/38/68/81/1003386881.db2.gz DVFTWRVJDSYZMC-FCHUYYIVSA-N 2 1 361.489 2.579 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001001425477 1016798644 /nfs/dbraw/zinc/79/86/44/1016798644.db2.gz PGBLBFRDTXGWSI-LEWJYISDSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@H]2c2ccccc2)CC1 ZINC001086625295 1003766797 /nfs/dbraw/zinc/76/67/97/1003766797.db2.gz SMQKQQZKBYQMPX-FCHUYYIVSA-N 2 1 367.537 2.716 20 30 FFEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110684483 1006828139 /nfs/dbraw/zinc/82/81/39/1006828139.db2.gz MEWQSUPRMAAXLG-RGCFKVTRSA-N 2 1 372.538 2.716 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001110684483 1006828146 /nfs/dbraw/zinc/82/81/46/1006828146.db2.gz MEWQSUPRMAAXLG-RGCFKVTRSA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110684483 1006828158 /nfs/dbraw/zinc/82/81/58/1006828158.db2.gz MEWQSUPRMAAXLG-RGCFKVTRSA-N 2 1 372.538 2.716 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110684483 1006828173 /nfs/dbraw/zinc/82/81/73/1006828173.db2.gz MEWQSUPRMAAXLG-RGCFKVTRSA-N 2 1 372.538 2.716 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)CC1 ZINC001116186630 1032179505 /nfs/dbraw/zinc/17/95/05/1032179505.db2.gz ZWVCFBTUTVKFOF-QFIPXVFZSA-N 2 1 367.537 2.953 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001086786162 1007387427 /nfs/dbraw/zinc/38/74/27/1007387427.db2.gz MJIISNGJLYTIJF-LRGNLBRXSA-N 2 1 368.525 2.663 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000818606410 1007967058 /nfs/dbraw/zinc/96/70/58/1007967058.db2.gz SKMNYOQMKSXPIL-IBGZPJMESA-N 2 1 371.525 2.625 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215022 1008488501 /nfs/dbraw/zinc/48/85/01/1008488501.db2.gz XEZHDISEIDJZAQ-QGZVFWFLSA-N 2 1 356.514 2.911 20 30 FFEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215022 1008488504 /nfs/dbraw/zinc/48/85/04/1008488504.db2.gz XEZHDISEIDJZAQ-QGZVFWFLSA-N 2 1 356.514 2.911 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084738 1009806144 /nfs/dbraw/zinc/80/61/44/1009806144.db2.gz LHRXWFCMPDNFDY-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093084738 1009806159 /nfs/dbraw/zinc/80/61/59/1009806159.db2.gz LHRXWFCMPDNFDY-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C#CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001093371828 1010231132 /nfs/dbraw/zinc/23/11/32/1010231132.db2.gz VRKOSKJWMHZIJO-HBMCJLEFSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371828 1010231139 /nfs/dbraw/zinc/23/11/39/1010231139.db2.gz VRKOSKJWMHZIJO-HBMCJLEFSA-N 2 1 371.569 2.833 20 30 FFEDMP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093371828 1010231143 /nfs/dbraw/zinc/23/11/43/1010231143.db2.gz VRKOSKJWMHZIJO-HBMCJLEFSA-N 2 1 371.569 2.833 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093768306 1010539965 /nfs/dbraw/zinc/53/99/65/1010539965.db2.gz RMKOALBYMJUVTN-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2 ZINC001094436217 1011112601 /nfs/dbraw/zinc/11/26/01/1011112601.db2.gz CUEDNGFOTNZGIK-MIZPHKNDSA-N 2 1 371.569 2.881 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2 ZINC001094436217 1011112607 /nfs/dbraw/zinc/11/26/07/1011112607.db2.gz CUEDNGFOTNZGIK-MIZPHKNDSA-N 2 1 371.569 2.881 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001094436217 1011112612 /nfs/dbraw/zinc/11/26/12/1011112612.db2.gz CUEDNGFOTNZGIK-MIZPHKNDSA-N 2 1 371.569 2.881 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001094436217 1011112613 /nfs/dbraw/zinc/11/26/13/1011112613.db2.gz CUEDNGFOTNZGIK-MIZPHKNDSA-N 2 1 371.569 2.881 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)CC)CC3)CC1 ZINC001094581472 1011263100 /nfs/dbraw/zinc/26/31/00/1011263100.db2.gz BSBJSAKTQKKCIE-CZTZKLFOSA-N 2 1 359.558 2.739 20 30 FFEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501664 1011358812 /nfs/dbraw/zinc/35/88/12/1011358812.db2.gz VBZLEVWRKYUGIW-IPMKNSEASA-N 2 1 355.567 2.941 20 30 FFEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501664 1011358824 /nfs/dbraw/zinc/35/88/24/1011358824.db2.gz VBZLEVWRKYUGIW-IPMKNSEASA-N 2 1 355.567 2.941 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NCCc3ccccc3)c2)CCO1 ZINC000303865884 1012473223 /nfs/dbraw/zinc/47/32/23/1012473223.db2.gz BVTSACGSRFRVJW-GOSISDBHSA-N 2 1 366.509 2.554 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NCCc3ccccc3)c2)CCO1 ZINC000303865884 1012473232 /nfs/dbraw/zinc/47/32/32/1012473232.db2.gz BVTSACGSRFRVJW-GOSISDBHSA-N 2 1 366.509 2.554 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1OC ZINC000303882307 1012499826 /nfs/dbraw/zinc/49/98/26/1012499826.db2.gz LHMTZHVPPPRTKG-GOSISDBHSA-N 2 1 370.497 2.719 20 30 FFEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CC1 ZINC000303906867 1012517126 /nfs/dbraw/zinc/51/71/26/1012517126.db2.gz WMKCACQWNJBTEP-UHFFFAOYSA-N 2 1 361.534 2.618 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303983234 1012551193 /nfs/dbraw/zinc/55/11/93/1012551193.db2.gz QYDHJSPYEWQTHY-OAQYLSRUSA-N 3 1 371.573 2.951 20 30 FFEDMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C4CCC(C)(C#N)CC4)C3)O2)CC1 ZINC001173594559 1012763134 /nfs/dbraw/zinc/76/31/34/1012763134.db2.gz HSISPFQTDNJCON-JYAXOCDNSA-N 2 1 374.573 2.720 20 30 FFEDMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C4CCC(C)(C#N)CC4)C3)O2)CC1 ZINC001173594559 1012763141 /nfs/dbraw/zinc/76/31/41/1012763141.db2.gz HSISPFQTDNJCON-JYAXOCDNSA-N 2 1 374.573 2.720 20 30 FFEDMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C4CCC(C)(C#N)CC4)C3)O2)CC1 ZINC001173594559 1012763157 /nfs/dbraw/zinc/76/31/57/1012763157.db2.gz HSISPFQTDNJCON-JYAXOCDNSA-N 2 1 374.573 2.720 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCC(c2ccccc2)CC1 ZINC000304739655 1012861593 /nfs/dbraw/zinc/86/15/93/1012861593.db2.gz BJGNKZYGLAKYCT-UHFFFAOYSA-N 2 1 358.530 2.587 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)cc1 ZINC000900045641 1020154032 /nfs/dbraw/zinc/15/40/32/1020154032.db2.gz PQMBYJDFTXCMNR-LEWJYISDSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)cc1 ZINC000900045641 1020154036 /nfs/dbraw/zinc/15/40/36/1020154036.db2.gz PQMBYJDFTXCMNR-LEWJYISDSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC2)cc1 ZINC000900045641 1020154042 /nfs/dbraw/zinc/15/40/42/1020154042.db2.gz PQMBYJDFTXCMNR-LEWJYISDSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC2)cc1 ZINC000900045641 1020154044 /nfs/dbraw/zinc/15/40/44/1020154044.db2.gz PQMBYJDFTXCMNR-LEWJYISDSA-N 2 1 366.509 2.609 20 30 FFEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@]1(C)CCCCO1 ZINC000902795510 1020482501 /nfs/dbraw/zinc/48/25/01/1020482501.db2.gz DCKPWVBOTPFAJF-CTNGQTDRSA-N 2 1 365.562 2.813 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+](CC)CC ZINC001111012742 1020493231 /nfs/dbraw/zinc/49/32/31/1020493231.db2.gz VCPZRLYISQEVPI-CGXNFDGLSA-N 2 1 368.525 2.900 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001074017953 1020625826 /nfs/dbraw/zinc/62/58/26/1020625826.db2.gz BETVYDSYRWHGLO-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001074017953 1020625831 /nfs/dbraw/zinc/62/58/31/1020625831.db2.gz BETVYDSYRWHGLO-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001074017953 1020625835 /nfs/dbraw/zinc/62/58/35/1020625835.db2.gz BETVYDSYRWHGLO-DUXKGJEZSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001938 1021566631 /nfs/dbraw/zinc/56/66/31/1021566631.db2.gz NVZDHJOICMEFMY-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001938 1021566638 /nfs/dbraw/zinc/56/66/38/1021566638.db2.gz NVZDHJOICMEFMY-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(C#N)c1 ZINC001117757247 1021863372 /nfs/dbraw/zinc/86/33/72/1021863372.db2.gz VZVGLISTTGVKHV-UHFFFAOYSA-N 2 1 374.554 2.888 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1 ZINC001218231747 1033060006 /nfs/dbraw/zinc/06/00/06/1033060006.db2.gz PSLOEJRNLFPAQM-VQTJNVASSA-N 2 1 370.497 2.830 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC001120483617 1023337261 /nfs/dbraw/zinc/33/72/61/1023337261.db2.gz ARPLQNBINJAMDR-FQEVSTJZSA-N 2 1 359.514 2.688 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001111303970 1023705830 /nfs/dbraw/zinc/70/58/30/1023705830.db2.gz JOHNLOABUMQLHV-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001111303970 1023705835 /nfs/dbraw/zinc/70/58/35/1023705835.db2.gz JOHNLOABUMQLHV-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111303970 1023705846 /nfs/dbraw/zinc/70/58/46/1023705846.db2.gz JOHNLOABUMQLHV-AQNXPRMDSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059104 1025375508 /nfs/dbraw/zinc/37/55/08/1025375508.db2.gz AXWKMIAVGGRXDI-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059104 1025375520 /nfs/dbraw/zinc/37/55/20/1025375520.db2.gz AXWKMIAVGGRXDI-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059104 1025375530 /nfs/dbraw/zinc/37/55/30/1025375530.db2.gz AXWKMIAVGGRXDI-FCEUIQTBSA-N 2 1 367.537 2.597 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273734 1025679447 /nfs/dbraw/zinc/67/94/47/1025679447.db2.gz NZBFEDAFZUXDIX-AQNXPRMDSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273734 1025679448 /nfs/dbraw/zinc/67/94/48/1025679448.db2.gz NZBFEDAFZUXDIX-AQNXPRMDSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273734 1025679449 /nfs/dbraw/zinc/67/94/49/1025679449.db2.gz NZBFEDAFZUXDIX-AQNXPRMDSA-N 2 1 367.578 2.750 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524434 1026216482 /nfs/dbraw/zinc/21/64/82/1026216482.db2.gz FHZDXJWRBCKGIX-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524434 1026216491 /nfs/dbraw/zinc/21/64/91/1026216491.db2.gz FHZDXJWRBCKGIX-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524434 1026216501 /nfs/dbraw/zinc/21/65/01/1026216501.db2.gz FHZDXJWRBCKGIX-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001103448666 1027499509 /nfs/dbraw/zinc/49/95/09/1027499509.db2.gz XGWITCNYSURXEM-HSALFYBXSA-N 2 1 365.562 2.528 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001160175369 1027621908 /nfs/dbraw/zinc/62/19/08/1027621908.db2.gz OEUQUKXEGOVTSE-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001160175369 1027621920 /nfs/dbraw/zinc/62/19/20/1027621920.db2.gz OEUQUKXEGOVTSE-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](Cc3cccc(C#N)c3)CC2)CC[NH+]1C ZINC001160175369 1027621926 /nfs/dbraw/zinc/62/19/26/1027621926.db2.gz OEUQUKXEGOVTSE-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)C[C@@H]21 ZINC001223526480 1033480574 /nfs/dbraw/zinc/48/05/74/1033480574.db2.gz IGUOAEKHRSYGDE-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@@H]21 ZINC001223526480 1033480583 /nfs/dbraw/zinc/48/05/83/1033480583.db2.gz IGUOAEKHRSYGDE-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]21 ZINC001223526480 1033480593 /nfs/dbraw/zinc/48/05/93/1033480593.db2.gz IGUOAEKHRSYGDE-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)C[C@@H]21 ZINC001223526480 1033480602 /nfs/dbraw/zinc/48/06/02/1033480602.db2.gz IGUOAEKHRSYGDE-RTWAWAEBSA-N 2 1 355.526 2.660 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000830413502 1033603786 /nfs/dbraw/zinc/60/37/86/1033603786.db2.gz UICQNEUSEPWGKR-UHFFFAOYSA-N 2 1 370.497 2.702 20 30 FFEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139703159 1035201965 /nfs/dbraw/zinc/20/19/65/1035201965.db2.gz KPYHJMXZZGNFTP-UHFFFAOYSA-N 2 1 353.514 2.889 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116577 1035346709 /nfs/dbraw/zinc/34/67/09/1035346709.db2.gz BEXPIDNVNLGDLP-UHFFFAOYSA-N 2 1 363.509 2.831 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001229615427 1036778212 /nfs/dbraw/zinc/77/82/12/1036778212.db2.gz JYLWJRNZNTVSLE-AQNXPRMDSA-N 2 1 365.562 2.861 20 30 FFEDMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001256207809 1038433146 /nfs/dbraw/zinc/43/31/46/1038433146.db2.gz QRMLZVWSBJSQSE-QFIPXVFZSA-N 2 1 368.525 2.571 20 30 FFEDMP C[NH+]1CCC([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC1 ZINC001256207809 1038433151 /nfs/dbraw/zinc/43/31/51/1038433151.db2.gz QRMLZVWSBJSQSE-QFIPXVFZSA-N 2 1 368.525 2.571 20 30 FFEDMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)ccc3Cl)(C1)CCC2 ZINC001278612020 1038789715 /nfs/dbraw/zinc/78/97/15/1038789715.db2.gz XNRXBHHTHCLIRP-UXHICEINSA-N 2 1 374.916 2.824 20 30 FFEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001278627951 1038927353 /nfs/dbraw/zinc/92/73/53/1038927353.db2.gz YCQIBSZDPLAXTR-RTWAWAEBSA-N 2 1 367.537 2.573 20 30 FFEDMP C=C1C[C@@H]2CC(N3CCn4cc(CN5CCN(C)CC5)nc4C3)C[C@H](C1)C2 ZINC001257892119 1039044277 /nfs/dbraw/zinc/04/42/77/1039044277.db2.gz UGBLZVUDVSNNGF-PMSBKCLSSA-N 2 1 369.557 2.581 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001246033683 1039206005 /nfs/dbraw/zinc/20/60/05/1039206005.db2.gz ONFFWIBJABOQOT-PZJWPPBQSA-N 2 1 367.578 2.822 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCNC[C@]2(CCCC(=O)N2)C1 ZINC001246033683 1039206020 /nfs/dbraw/zinc/20/60/20/1039206020.db2.gz ONFFWIBJABOQOT-PZJWPPBQSA-N 2 1 367.578 2.822 20 30 FFEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001252463837 1039545316 /nfs/dbraw/zinc/54/53/16/1039545316.db2.gz SWCFUIXATMNQBR-CUDHKJQZSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001252463837 1039545330 /nfs/dbraw/zinc/54/53/30/1039545330.db2.gz SWCFUIXATMNQBR-CUDHKJQZSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001252463837 1039545349 /nfs/dbraw/zinc/54/53/49/1039545349.db2.gz SWCFUIXATMNQBR-CUDHKJQZSA-N 2 1 364.555 2.844 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224255 1040351803 /nfs/dbraw/zinc/35/18/03/1040351803.db2.gz SVCLMFLWTQFROA-RTBURBONSA-N 2 1 365.562 2.813 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327204 1040453500 /nfs/dbraw/zinc/45/35/00/1040453500.db2.gz BJEMEDRNKFJJTQ-INDMIFKZSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327204 1040453509 /nfs/dbraw/zinc/45/35/09/1040453509.db2.gz BJEMEDRNKFJJTQ-INDMIFKZSA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327204 1040453518 /nfs/dbraw/zinc/45/35/18/1040453518.db2.gz BJEMEDRNKFJJTQ-INDMIFKZSA-N 2 1 353.551 2.503 20 30 FFEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC001254348975 1040681025 /nfs/dbraw/zinc/68/10/25/1040681025.db2.gz FMYQVSCTMCPAFT-XVAXZDLZSA-N 2 1 356.489 2.542 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213575209 1040687177 /nfs/dbraw/zinc/68/71/77/1040687177.db2.gz YJIWKOGNZPKDHZ-NSISKUIASA-N 2 1 359.514 2.532 20 30 FFEDMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254659828 1040858888 /nfs/dbraw/zinc/85/88/88/1040858888.db2.gz SLERMMLWVHGXJH-SXLOBPIMSA-N 2 1 354.498 2.829 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921703 1041074138 /nfs/dbraw/zinc/07/41/38/1041074138.db2.gz HXAQEFGCKJEVGA-PWIZWCRZSA-N 2 1 359.514 2.532 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263887005 1042511162 /nfs/dbraw/zinc/51/11/62/1042511162.db2.gz FYDQAAXCXNAGBJ-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001263887005 1042511166 /nfs/dbraw/zinc/51/11/66/1042511166.db2.gz FYDQAAXCXNAGBJ-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001263887005 1042511169 /nfs/dbraw/zinc/51/11/69/1042511169.db2.gz FYDQAAXCXNAGBJ-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263887004 1042511543 /nfs/dbraw/zinc/51/15/43/1042511543.db2.gz FYDQAAXCXNAGBJ-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001263887004 1042511544 /nfs/dbraw/zinc/51/15/44/1042511544.db2.gz FYDQAAXCXNAGBJ-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001263887004 1042511546 /nfs/dbraw/zinc/51/15/46/1042511546.db2.gz FYDQAAXCXNAGBJ-HLAWJBBLSA-N 2 1 355.526 2.879 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264627547 1042759170 /nfs/dbraw/zinc/75/91/70/1042759170.db2.gz RAPUGQUYOZGPGO-LEWJYISDSA-N 2 1 368.525 2.903 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001279226425 1042953468 /nfs/dbraw/zinc/95/34/68/1042953468.db2.gz KUHHZUYHNKEHDY-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001279226425 1042953469 /nfs/dbraw/zinc/95/34/69/1042953469.db2.gz KUHHZUYHNKEHDY-UHFFFAOYSA-N 2 1 361.461 2.606 20 30 FFEDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001279376475 1043037089 /nfs/dbraw/zinc/03/70/89/1043037089.db2.gz YXKRDJHFRIGZMV-UHFFFAOYSA-N 2 1 357.498 2.661 20 30 FFEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001279376475 1043037094 /nfs/dbraw/zinc/03/70/94/1043037094.db2.gz YXKRDJHFRIGZMV-UHFFFAOYSA-N 2 1 357.498 2.661 20 30 FFEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(C#N)c1 ZINC001278127472 1043295367 /nfs/dbraw/zinc/29/53/67/1043295367.db2.gz XMLOVYRDIYBYJI-SEJPIABJSA-N 2 1 357.498 2.696 20 30 FFEDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(C#N)c1 ZINC001278127472 1043295372 /nfs/dbraw/zinc/29/53/72/1043295372.db2.gz XMLOVYRDIYBYJI-SEJPIABJSA-N 2 1 357.498 2.696 20 30 FFEDMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001279689052 1043471570 /nfs/dbraw/zinc/47/15/70/1043471570.db2.gz YGRZDWYEOLMQJN-CALCHBBNSA-N 2 1 355.511 2.995 20 30 FFEDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001279689052 1043471575 /nfs/dbraw/zinc/47/15/75/1043471575.db2.gz YGRZDWYEOLMQJN-CALCHBBNSA-N 2 1 355.511 2.995 20 30 FFEDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001279689052 1043471583 /nfs/dbraw/zinc/47/15/83/1043471583.db2.gz YGRZDWYEOLMQJN-CALCHBBNSA-N 2 1 355.511 2.995 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001312645500 1044149371 /nfs/dbraw/zinc/14/93/71/1044149371.db2.gz IIEZNHIRTRQZSD-UHFFFAOYSA-N 2 1 370.541 2.673 20 30 FFEDMP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)ccc1C#N ZINC001280218876 1044412690 /nfs/dbraw/zinc/41/26/90/1044412690.db2.gz YBIWZDVLZJETTO-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)ccc1C#N ZINC001280218876 1044412697 /nfs/dbraw/zinc/41/26/97/1044412697.db2.gz YBIWZDVLZJETTO-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)ccc1C#N ZINC001280218876 1044412704 /nfs/dbraw/zinc/41/27/04/1044412704.db2.gz YBIWZDVLZJETTO-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)ccc1C#N ZINC001280218876 1044412711 /nfs/dbraw/zinc/41/27/11/1044412711.db2.gz YBIWZDVLZJETTO-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP CCc1cc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)ccc1C#N ZINC001280218876 1044412718 /nfs/dbraw/zinc/41/27/18/1044412718.db2.gz YBIWZDVLZJETTO-SZPZYZBQSA-N 2 1 354.542 2.826 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001316812640 1045032388 /nfs/dbraw/zinc/03/23/88/1045032388.db2.gz AAHGMFFWRZLJIB-PWRODBHTSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC001333214915 1048763125 /nfs/dbraw/zinc/76/31/25/1048763125.db2.gz JZMJFEOPFNJPCN-ZIFCJYIRSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC001333214915 1048763138 /nfs/dbraw/zinc/76/31/38/1048763138.db2.gz JZMJFEOPFNJPCN-ZIFCJYIRSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC001333214915 1048763148 /nfs/dbraw/zinc/76/31/48/1048763148.db2.gz JZMJFEOPFNJPCN-ZIFCJYIRSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC001333214915 1048763161 /nfs/dbraw/zinc/76/31/61/1048763161.db2.gz JZMJFEOPFNJPCN-ZIFCJYIRSA-N 2 1 374.554 2.528 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001336786030 1054224872 /nfs/dbraw/zinc/22/48/72/1054224872.db2.gz XYMOOCPLLHLIBL-FQEVSTJZSA-N 2 1 352.478 2.657 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001338692445 1055736198 /nfs/dbraw/zinc/73/61/98/1055736198.db2.gz AUSVRKLGJZNSLC-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001338692445 1055736207 /nfs/dbraw/zinc/73/62/07/1055736207.db2.gz AUSVRKLGJZNSLC-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001338692445 1055736220 /nfs/dbraw/zinc/73/62/20/1055736220.db2.gz AUSVRKLGJZNSLC-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001338851803 1055871771 /nfs/dbraw/zinc/87/17/71/1055871771.db2.gz NSCHUPAVYLXOMN-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000849113808 1056766319 /nfs/dbraw/zinc/76/63/19/1056766319.db2.gz KDTIXJVDVCEQIX-LJQANCHMSA-N 2 1 356.514 2.605 20 30 FFEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC001455948654 1059964054 /nfs/dbraw/zinc/96/40/54/1059964054.db2.gz VAYZWJPZLBQMLQ-IFMALSPDSA-N 2 1 367.537 2.749 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1CC ZINC001479645266 1062714208 /nfs/dbraw/zinc/71/42/08/1062714208.db2.gz MVGSXYRHPZDACN-ZWKOTPCHSA-N 2 1 362.543 2.821 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1CC ZINC001479645266 1062714229 /nfs/dbraw/zinc/71/42/29/1062714229.db2.gz MVGSXYRHPZDACN-ZWKOTPCHSA-N 2 1 362.543 2.821 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1CC ZINC001479645266 1062714253 /nfs/dbraw/zinc/71/42/53/1062714253.db2.gz MVGSXYRHPZDACN-ZWKOTPCHSA-N 2 1 362.543 2.821 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(OC)c1O ZINC001560328034 1076264331 /nfs/dbraw/zinc/26/43/31/1076264331.db2.gz CWFFLDZWVDPCCC-LJQANCHMSA-N 2 1 360.498 2.862 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1CC)[NH+](C)C ZINC001566025789 1076861349 /nfs/dbraw/zinc/86/13/49/1076861349.db2.gz WMVTXDJATQZEAD-OTWHNJEPSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1CC)[NH+](C)C ZINC001566025789 1076861354 /nfs/dbraw/zinc/86/13/54/1076861354.db2.gz WMVTXDJATQZEAD-OTWHNJEPSA-N 2 1 360.477 2.507 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001566115888 1076920086 /nfs/dbraw/zinc/92/00/86/1076920086.db2.gz TTYJSZUHSSIDGA-XLIONFOSSA-N 2 1 354.498 2.513 20 30 FFEDMP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000331494920 258188202 /nfs/dbraw/zinc/18/82/02/258188202.db2.gz AQHZXIBGADPUPO-QGZVFWFLSA-N 2 1 360.527 2.779 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000371108385 512222453 /nfs/dbraw/zinc/22/24/53/512222453.db2.gz IVFBQFYVORTROS-OALUTQOASA-N 2 1 360.477 2.521 20 30 FFEDMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066961922 506712499 /nfs/dbraw/zinc/71/24/99/506712499.db2.gz UMSMNHVZEJEUEO-INIZCTEOSA-N 2 1 354.498 2.684 20 30 FFEDMP N#CC1(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCCCC1 ZINC000045806787 507025141 /nfs/dbraw/zinc/02/51/41/507025141.db2.gz ATXALUDFWXUQHI-UHFFFAOYSA-N 2 1 360.546 2.917 20 30 FFEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1OC ZINC000093133416 508123093 /nfs/dbraw/zinc/12/30/93/508123093.db2.gz VAEPWIFRFMOWSD-HXUWFJFHSA-N 2 1 373.541 2.862 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N(C)CCC#N ZINC000112528163 508194068 /nfs/dbraw/zinc/19/40/68/508194068.db2.gz PYOSLDZWGHKZKF-ROUUACIJSA-N 2 1 356.514 2.769 20 30 FFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000375614011 512421060 /nfs/dbraw/zinc/42/10/60/512421060.db2.gz PYSIMFFPCUZRPS-JOCHJYFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[N@H+](CCCC1(C#N)CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375614011 512421063 /nfs/dbraw/zinc/42/10/63/512421063.db2.gz PYSIMFFPCUZRPS-JOCHJYFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375614011 512421067 /nfs/dbraw/zinc/42/10/67/512421067.db2.gz PYSIMFFPCUZRPS-JOCHJYFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375614011 512421071 /nfs/dbraw/zinc/42/10/71/512421071.db2.gz PYSIMFFPCUZRPS-JOCHJYFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375614011 512421073 /nfs/dbraw/zinc/42/10/73/512421073.db2.gz PYSIMFFPCUZRPS-JOCHJYFZSA-N 2 1 371.525 2.656 20 30 FFEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264860082 509744856 /nfs/dbraw/zinc/74/48/56/509744856.db2.gz QBEBHNLPHDPPMM-NRFANRHFSA-N 2 1 365.525 2.608 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@@]1(C)CCCS1 ZINC000261997396 510143798 /nfs/dbraw/zinc/14/37/98/510143798.db2.gz SSYKVEQMCHZBBM-GOSISDBHSA-N 2 1 358.515 2.526 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181282826 510336435 /nfs/dbraw/zinc/33/64/35/510336435.db2.gz PNTAIUDBAFXEKP-GOSISDBHSA-N 2 1 358.530 2.847 20 30 FFEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000330250400 510947021 /nfs/dbraw/zinc/94/70/21/510947021.db2.gz HDQNHHTUUUPARQ-GOSISDBHSA-N 2 1 359.518 2.700 20 30 FFEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000330250400 510947024 /nfs/dbraw/zinc/94/70/24/510947024.db2.gz HDQNHHTUUUPARQ-GOSISDBHSA-N 2 1 359.518 2.700 20 30 FFEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000290565025 511146135 /nfs/dbraw/zinc/14/61/35/511146135.db2.gz ZXJCDMUQXOAWII-JOCHJYFZSA-N 2 1 361.489 2.655 20 30 FFEDMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711726 511717388 /nfs/dbraw/zinc/71/73/88/511717388.db2.gz IHONDKCCBMKVSL-AZUAARDMSA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711726 511717389 /nfs/dbraw/zinc/71/73/89/511717389.db2.gz IHONDKCCBMKVSL-AZUAARDMSA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711726 511717391 /nfs/dbraw/zinc/71/73/91/511717391.db2.gz IHONDKCCBMKVSL-AZUAARDMSA-N 2 1 368.525 2.829 20 30 FFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000378371384 512724931 /nfs/dbraw/zinc/72/49/31/512724931.db2.gz OXBQTZZCHNOWKI-PCCBWWKXSA-N 2 1 356.514 2.720 20 30 FFEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000481925083 515515960 /nfs/dbraw/zinc/51/59/60/515515960.db2.gz LZZLHATZVYKTRQ-UYAOXDASSA-N 2 1 354.498 2.503 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)CC1 ZINC000494985601 516028089 /nfs/dbraw/zinc/02/80/89/516028089.db2.gz LJYDBURDHBLJQN-UHFFFAOYSA-N 2 1 364.456 2.600 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc(OC)c1O ZINC000517588838 516376469 /nfs/dbraw/zinc/37/64/69/516376469.db2.gz TUJDOTWIIAAUPE-LJQANCHMSA-N 2 1 360.498 2.816 20 30 FFEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535963846 516571896 /nfs/dbraw/zinc/57/18/96/516571896.db2.gz OKGPPAVUUODPDE-UHFFFAOYSA-N 2 1 373.497 2.668 20 30 FFEDMP C(#CC[N@H+]1CCC[C@H](OCC2CC2)C1)C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000551736211 516847659 /nfs/dbraw/zinc/84/76/59/516847659.db2.gz YBCWLDZHGGUTRG-VXKWHMMOSA-N 2 1 360.542 2.772 20 30 FFEDMP C(#CC[N@@H+]1CCC[C@H](OCC2CC2)C1)C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000551736211 516847668 /nfs/dbraw/zinc/84/76/68/516847668.db2.gz YBCWLDZHGGUTRG-VXKWHMMOSA-N 2 1 360.542 2.772 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000519222231 516929401 /nfs/dbraw/zinc/92/94/01/516929401.db2.gz WLSFEAONSKQKCG-FXAWDEMLSA-N 2 1 350.551 2.873 20 30 FFEDMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000533073966 517279357 /nfs/dbraw/zinc/27/93/57/517279357.db2.gz AJQDYCMKGLHSSQ-UHFFFAOYSA-N 2 1 364.493 2.821 20 30 FFEDMP N#Cc1cnn2cc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cnc12 ZINC000569605241 518205157 /nfs/dbraw/zinc/20/51/57/518205157.db2.gz GYWWFNWCOZHTTC-TZIWHRDSSA-N 2 1 372.476 2.555 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000577171663 518948193 /nfs/dbraw/zinc/94/81/93/518948193.db2.gz BHOMHYYMLRVHCH-SFHVURJKSA-N 2 1 352.906 2.848 20 30 FFEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186675 518955944 /nfs/dbraw/zinc/95/59/44/518955944.db2.gz DFEQIKFXIKFRSP-OAQYLSRUSA-N 2 1 364.497 2.776 20 30 FFEDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186675 518955948 /nfs/dbraw/zinc/95/59/48/518955948.db2.gz DFEQIKFXIKFRSP-OAQYLSRUSA-N 2 1 364.497 2.776 20 30 FFEDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186675 518955950 /nfs/dbraw/zinc/95/59/50/518955950.db2.gz DFEQIKFXIKFRSP-OAQYLSRUSA-N 2 1 364.497 2.776 20 30 FFEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000577186675 518955954 /nfs/dbraw/zinc/95/59/54/518955954.db2.gz DFEQIKFXIKFRSP-OAQYLSRUSA-N 2 1 364.497 2.776 20 30 FFEDMP CN(CC[N@@H+](C)Cc1cccc(OCCCC#N)c1)C1CC[NH+](C)CC1 ZINC000583111265 519080056 /nfs/dbraw/zinc/08/00/56/519080056.db2.gz OCXGHXWHHPDDPJ-UHFFFAOYSA-N 2 1 358.530 2.827 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC000571551628 519153768 /nfs/dbraw/zinc/15/37/68/519153768.db2.gz QLXNMGLTTZYVOV-FHHGHWCOSA-N 2 1 360.498 2.708 20 30 FFEDMP N#Cc1ccc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000595493288 520506169 /nfs/dbraw/zinc/50/61/69/520506169.db2.gz QNDVJMOZHHLDQA-XMMPIXPASA-N 2 1 374.532 2.993 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599293893 521132641 /nfs/dbraw/zinc/13/26/41/521132641.db2.gz APWMWCBJNWWKAT-AQNXPRMDSA-N 2 1 363.546 2.644 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614132 522822851 /nfs/dbraw/zinc/82/28/51/522822851.db2.gz KQPTZDRPEJEXQN-RTBURBONSA-N 2 1 350.551 2.716 20 30 FFEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCSCC2)c2cccs2)CC1 ZINC000104155202 728500747 /nfs/dbraw/zinc/50/07/47/728500747.db2.gz IADXICQQYUFLHY-OAHLLOKOSA-N 2 1 352.573 2.885 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CCC[C@]2(CCCOC2)C1 ZINC000262797601 729671516 /nfs/dbraw/zinc/67/15/16/729671516.db2.gz PVJNRDWSRKPNSN-ICSRJNTNSA-N 2 1 350.551 2.719 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)(F)F ZINC000305030064 729737706 /nfs/dbraw/zinc/73/77/06/729737706.db2.gz QPGZXOUUTBRCTN-CQSZACIVSA-N 2 1 358.408 2.516 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305665994 729738244 /nfs/dbraw/zinc/73/82/44/729738244.db2.gz HZSVFZNMOYXBKQ-YOEHRIQHSA-N 2 1 370.900 2.803 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000876777432 732279861 /nfs/dbraw/zinc/27/98/61/732279861.db2.gz MTYRNHIQEXBLEI-GUYCJALGSA-N 2 1 351.878 2.816 20 30 FFEDMP C(#CC[N@H+]1CC[C@H](c2nccs2)C1)CN1CC[C@H](c2nccs2)C1 ZINC000880319084 732887465 /nfs/dbraw/zinc/88/74/65/732887465.db2.gz ASRWQHIUOJJHAQ-HOTGVXAUSA-N 2 1 358.536 2.882 20 30 FFEDMP C(#CC[N@@H+]1CC[C@H](c2nccs2)C1)C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319084 732887467 /nfs/dbraw/zinc/88/74/67/732887467.db2.gz ASRWQHIUOJJHAQ-HOTGVXAUSA-N 2 1 358.536 2.882 20 30 FFEDMP C(#CC[N@H+]1CC[C@H](c2nccs2)C1)C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319084 732887471 /nfs/dbraw/zinc/88/74/71/732887471.db2.gz ASRWQHIUOJJHAQ-HOTGVXAUSA-N 2 1 358.536 2.882 20 30 FFEDMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000931307683 739242231 /nfs/dbraw/zinc/24/22/31/739242231.db2.gz NZTVVCBKSKICBK-KDURUIRLSA-N 2 1 360.889 2.814 20 30 FFEDMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000931307683 739242237 /nfs/dbraw/zinc/24/22/37/739242237.db2.gz NZTVVCBKSKICBK-KDURUIRLSA-N 2 1 360.889 2.814 20 30 FFEDMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000931307683 739242241 /nfs/dbraw/zinc/24/22/41/739242241.db2.gz NZTVVCBKSKICBK-KDURUIRLSA-N 2 1 360.889 2.814 20 30 FFEDMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@]2(C)C1 ZINC000931307683 739242250 /nfs/dbraw/zinc/24/22/50/739242250.db2.gz NZTVVCBKSKICBK-KDURUIRLSA-N 2 1 360.889 2.814 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039133234 742988027 /nfs/dbraw/zinc/98/80/27/742988027.db2.gz RNTNELQSMRTYKM-KBAYOESNSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133234 742988034 /nfs/dbraw/zinc/98/80/34/742988034.db2.gz RNTNELQSMRTYKM-KBAYOESNSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133234 742988035 /nfs/dbraw/zinc/98/80/35/742988035.db2.gz RNTNELQSMRTYKM-KBAYOESNSA-N 2 1 353.938 2.640 20 30 FFEDMP N#Cc1cccc(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134864385 960068994 /nfs/dbraw/zinc/06/89/94/960068994.db2.gz NAVHPAQSAPKYSF-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134864385 960069003 /nfs/dbraw/zinc/06/90/03/960069003.db2.gz NAVHPAQSAPKYSF-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134864385 960069013 /nfs/dbraw/zinc/06/90/13/960069013.db2.gz NAVHPAQSAPKYSF-YLJYHZDGSA-N 2 1 352.482 2.836 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001269737475 964279296 /nfs/dbraw/zinc/27/92/96/964279296.db2.gz KVWSMFDTMAFTJN-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[N@H+](C)C1 ZINC000328934158 965067461 /nfs/dbraw/zinc/06/74/61/965067461.db2.gz FECKRQZOCLKTAP-JQHSSLGASA-N 2 1 373.497 2.650 20 30 FFEDMP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[N@@H+](C)C1 ZINC000328934158 965067472 /nfs/dbraw/zinc/06/74/72/965067472.db2.gz FECKRQZOCLKTAP-JQHSSLGASA-N 2 1 373.497 2.650 20 30 FFEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087212933 966585876 /nfs/dbraw/zinc/58/58/76/966585876.db2.gz WZXQWKCCHWRUMN-LQWHRVPQSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001211616054 968029066 /nfs/dbraw/zinc/02/90/66/968029066.db2.gz SYPFGANXAZRYNF-XUVXKRRUSA-N 2 1 364.493 2.921 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2CC)CC[NH+]1C ZINC001087578765 968234758 /nfs/dbraw/zinc/23/47/58/968234758.db2.gz NQAUFTQUISCJLN-INDMIFKZSA-N 2 1 374.554 2.819 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087773329 969015750 /nfs/dbraw/zinc/01/57/50/969015750.db2.gz HVFTVQLVBPEBTL-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCC[NH2+]1 ZINC000662739489 973870400 /nfs/dbraw/zinc/87/04/00/973870400.db2.gz PAMPSJGDDBLZDE-LLGFUMIMSA-N 2 1 357.498 2.933 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCC[NH2+]1 ZINC000662739489 973870415 /nfs/dbraw/zinc/87/04/15/973870415.db2.gz PAMPSJGDDBLZDE-LLGFUMIMSA-N 2 1 357.498 2.933 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001029742255 974185402 /nfs/dbraw/zinc/18/54/02/974185402.db2.gz PEHDMCNVHXURKC-PCCBWWKXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001029742255 974185405 /nfs/dbraw/zinc/18/54/05/974185405.db2.gz PEHDMCNVHXURKC-PCCBWWKXSA-N 2 1 368.525 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)CC[NH+]1C ZINC001029742255 974185408 /nfs/dbraw/zinc/18/54/08/974185408.db2.gz PEHDMCNVHXURKC-PCCBWWKXSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588571 974952480 /nfs/dbraw/zinc/95/24/80/974952480.db2.gz JDHCYSYGARRDCZ-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588571 974952483 /nfs/dbraw/zinc/95/24/83/974952483.db2.gz JDHCYSYGARRDCZ-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588571 974952486 /nfs/dbraw/zinc/95/24/86/974952486.db2.gz JDHCYSYGARRDCZ-HBMCJLEFSA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428200 975611254 /nfs/dbraw/zinc/61/12/54/975611254.db2.gz RRMKQLBOYFCBMT-BHIFYINESA-N 2 1 367.537 2.879 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001087428914 975714248 /nfs/dbraw/zinc/71/42/48/975714248.db2.gz GTPKPUSEOPFGRO-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001087431523 976041136 /nfs/dbraw/zinc/04/11/36/976041136.db2.gz UBAOKLZHPOAJNB-UYAOXDASSA-N 2 1 368.481 2.510 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764349 976970611 /nfs/dbraw/zinc/97/06/11/976970611.db2.gz QNXKAOOPQUCGTQ-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764349 976970624 /nfs/dbraw/zinc/97/06/24/976970624.db2.gz QNXKAOOPQUCGTQ-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cccc(C#N)c2)CC3)CC[NH+]1C ZINC000990764349 976970638 /nfs/dbraw/zinc/97/06/38/976970638.db2.gz QNXKAOOPQUCGTQ-ZEFBCVDJSA-N 2 1 366.509 2.512 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087442176 977527746 /nfs/dbraw/zinc/52/77/46/977527746.db2.gz WPIADLCGHJCXFR-WOJBJXKFSA-N 2 1 353.510 2.633 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087455260 977780131 /nfs/dbraw/zinc/78/01/31/977780131.db2.gz JYWGPWWVIAIEOY-NJDAHSKKSA-N 2 1 371.500 2.628 20 30 FFEDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116782 1014499065 /nfs/dbraw/zinc/49/90/65/1014499065.db2.gz QLQXLZUGHRNJFU-UNMCSNQZSA-N 2 1 369.509 2.769 20 30 FFEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116782 1014499072 /nfs/dbraw/zinc/49/90/72/1014499072.db2.gz QLQXLZUGHRNJFU-UNMCSNQZSA-N 2 1 369.509 2.769 20 30 FFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116782 1014499076 /nfs/dbraw/zinc/49/90/76/1014499076.db2.gz QLQXLZUGHRNJFU-UNMCSNQZSA-N 2 1 369.509 2.769 20 30 FFEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116782 1014499084 /nfs/dbraw/zinc/49/90/84/1014499084.db2.gz QLQXLZUGHRNJFU-UNMCSNQZSA-N 2 1 369.509 2.769 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)cc1 ZINC001076046953 979061854 /nfs/dbraw/zinc/06/18/54/979061854.db2.gz VCOQQDJOBIANLB-GHTZIAJQSA-N 2 1 371.444 2.552 20 30 FFEDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OCC#N)c3)cc2F)CC1 ZINC001116055370 1032095614 /nfs/dbraw/zinc/09/56/14/1032095614.db2.gz NCWQFKNJBVIOQQ-UHFFFAOYSA-N 2 1 368.456 2.770 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159968132 979476731 /nfs/dbraw/zinc/47/67/31/979476731.db2.gz OBEAMKGSYWMKLW-UFYCRDLUSA-N 3 1 374.577 2.709 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001076605483 979708868 /nfs/dbraw/zinc/70/88/68/979708868.db2.gz CEHCXWBCTWUJRP-BVYCBKJFSA-N 2 1 365.521 2.626 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413752 984522950 /nfs/dbraw/zinc/52/29/50/984522950.db2.gz OTLVMPGHWUCHFW-WAOWUJCRSA-N 2 1 356.514 2.781 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413752 984522952 /nfs/dbraw/zinc/52/29/52/984522952.db2.gz OTLVMPGHWUCHFW-WAOWUJCRSA-N 2 1 356.514 2.781 20 30 FFEDMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2)[NH+](C)C ZINC001107450782 984555250 /nfs/dbraw/zinc/55/52/50/984555250.db2.gz MQWGVMCEQZYUGT-KCZVDYSFSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@](C)(c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107607167 984787733 /nfs/dbraw/zinc/78/77/33/984787733.db2.gz QKFLKMIRONTNQZ-AKIFATBCSA-N 2 1 367.537 2.848 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106811045 989211017 /nfs/dbraw/zinc/21/10/17/989211017.db2.gz MGVCKBILTWZRKZ-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000923365081 991094609 /nfs/dbraw/zinc/09/46/09/991094609.db2.gz SEJXPGRGNPTPAH-VAMGGRTRSA-N 2 1 374.525 2.627 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc(F)c3)C[C@H]2C)CC1 ZINC001080992318 993543238 /nfs/dbraw/zinc/54/32/38/993543238.db2.gz FDDIVRVYBDVNPZ-CBGDNZLLSA-N 2 1 371.500 2.668 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]2C)CC1 ZINC001080998123 993549154 /nfs/dbraw/zinc/54/91/54/993549154.db2.gz TWGRVEFGOBKWKZ-DENIHFKCSA-N 2 1 367.537 2.585 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081118580 993684561 /nfs/dbraw/zinc/68/45/61/993684561.db2.gz LILQPDVNZBJEEY-OQIJWPOYSA-N 2 1 361.917 2.663 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001131522783 994364864 /nfs/dbraw/zinc/36/48/64/994364864.db2.gz ZGGHUFLOINGQGK-MOPGFXCFSA-N 2 1 365.562 2.669 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001082568242 994962967 /nfs/dbraw/zinc/96/29/67/994962967.db2.gz HJPURDNMRKMBQD-RLLQIKCJSA-N 2 1 359.558 2.737 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001082568242 994962979 /nfs/dbraw/zinc/96/29/79/994962979.db2.gz HJPURDNMRKMBQD-RLLQIKCJSA-N 2 1 359.558 2.737 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082782736 995489557 /nfs/dbraw/zinc/48/95/57/995489557.db2.gz NUZMNXGPYXUMFX-UIFIKXQLSA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049747470 1016240173 /nfs/dbraw/zinc/24/01/73/1016240173.db2.gz OWGMIHMZWSCFMW-MLNNCEHLSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747470 1016240180 /nfs/dbraw/zinc/24/01/80/1016240180.db2.gz OWGMIHMZWSCFMW-MLNNCEHLSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001049747470 1016240186 /nfs/dbraw/zinc/24/01/86/1016240186.db2.gz OWGMIHMZWSCFMW-MLNNCEHLSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)ncc4C3)C[C@@H]21 ZINC001085032886 998733070 /nfs/dbraw/zinc/73/30/70/998733070.db2.gz HAHFHBIFXJKWIZ-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032886 998733073 /nfs/dbraw/zinc/73/30/73/998733073.db2.gz HAHFHBIFXJKWIZ-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032886 998733077 /nfs/dbraw/zinc/73/30/77/998733077.db2.gz HAHFHBIFXJKWIZ-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001085250505 999257483 /nfs/dbraw/zinc/25/74/83/999257483.db2.gz WSZJBUSCJODUKJ-RRFJBIMHSA-N 2 1 350.894 2.593 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769396803 1000519334 /nfs/dbraw/zinc/51/93/34/1000519334.db2.gz BLZUECILYGZFHT-DLBZAZTESA-N 2 1 367.415 2.522 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769396803 1000519337 /nfs/dbraw/zinc/51/93/37/1000519337.db2.gz BLZUECILYGZFHT-DLBZAZTESA-N 2 1 367.415 2.522 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472851 1000530035 /nfs/dbraw/zinc/53/00/35/1000530035.db2.gz IWSGWNXWPQQTNC-QYZOEREBSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472851 1000530039 /nfs/dbraw/zinc/53/00/39/1000530039.db2.gz IWSGWNXWPQQTNC-QYZOEREBSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472851 1000530045 /nfs/dbraw/zinc/53/00/45/1000530045.db2.gz IWSGWNXWPQQTNC-QYZOEREBSA-N 2 1 363.546 2.564 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001109714308 1000897284 /nfs/dbraw/zinc/89/72/84/1000897284.db2.gz GMIPKVPCJUDZFD-MHTWAQMVSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC001109714308 1000897288 /nfs/dbraw/zinc/89/72/88/1000897288.db2.gz GMIPKVPCJUDZFD-MHTWAQMVSA-N 2 1 368.525 2.900 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001183045062 1002132273 /nfs/dbraw/zinc/13/22/73/1002132273.db2.gz RSJSIHZXGNGPCQ-UHFFFAOYSA-N 2 1 353.510 2.688 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086619928 1003553663 /nfs/dbraw/zinc/55/36/63/1003553663.db2.gz ONLQHMZPCOKTRI-VQTJNVASSA-N 2 1 364.493 2.922 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086619928 1003553672 /nfs/dbraw/zinc/55/36/72/1003553672.db2.gz ONLQHMZPCOKTRI-VQTJNVASSA-N 2 1 364.493 2.922 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357343 1005810694 /nfs/dbraw/zinc/81/06/94/1005810694.db2.gz GKNZGKCVNVXAAQ-OAQYLSRUSA-N 2 1 350.462 2.555 20 30 FFEDMP CCCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000852860616 1006211083 /nfs/dbraw/zinc/21/10/83/1006211083.db2.gz SXGDUNRTXJIOTB-QFIPXVFZSA-N 2 1 367.537 2.893 20 30 FFEDMP C[C@H]1C[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000852866381 1006213714 /nfs/dbraw/zinc/21/37/14/1006213714.db2.gz GLGCULMXIHHSRQ-RXVVDRJESA-N 2 1 353.510 2.501 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N(C)Cc1cccc(F)c1 ZINC000114084276 1007758871 /nfs/dbraw/zinc/75/88/71/1007758871.db2.gz CBHSGQYOSWUYBF-UHFFFAOYSA-N 2 1 366.444 2.922 20 30 FFEDMP C#C[C@@H](CCC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820645804 1008362167 /nfs/dbraw/zinc/36/21/67/1008362167.db2.gz BCXKPEBUBPUJPX-IBGZPJMESA-N 2 1 362.562 2.626 20 30 FFEDMP C=CCOCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328280 1008568931 /nfs/dbraw/zinc/56/89/31/1008568931.db2.gz FKHUMFWFXNMVKS-UYAOXDASSA-N 2 1 365.562 2.528 20 30 FFEDMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)[nH+]c1C ZINC000886659851 1008799351 /nfs/dbraw/zinc/79/93/51/1008799351.db2.gz XABSUZWWCARZEX-SFHVURJKSA-N 2 1 354.454 2.518 20 30 FFEDMP C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000863555979 1010253702 /nfs/dbraw/zinc/25/37/02/1010253702.db2.gz YRUZVFFDWMJEQG-NHCUHLMSSA-N 2 1 371.525 2.560 20 30 FFEDMP C=CCCCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275336765 1012327510 /nfs/dbraw/zinc/32/75/10/1012327510.db2.gz JJUUQJSOGOGSFA-NRFANRHFSA-N 2 1 363.546 2.916 20 30 FFEDMP C=CCOC1CCC(N(c2[nH+]ccn2C)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001173322374 1012439224 /nfs/dbraw/zinc/43/92/24/1012439224.db2.gz CRGQHSDFOJUYCW-JLAWEPINSA-N 2 1 374.529 2.651 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(Oc2ccccc2)c1 ZINC000303903664 1012514560 /nfs/dbraw/zinc/51/45/60/1012514560.db2.gz YMRIWJVHIBTAPC-UHFFFAOYSA-N 2 1 368.481 2.606 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000303907493 1012515913 /nfs/dbraw/zinc/51/59/13/1012515913.db2.gz WWFBPMYGUWCKCD-RXVVDRJESA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303907493 1012515928 /nfs/dbraw/zinc/51/59/28/1012515928.db2.gz WWFBPMYGUWCKCD-RXVVDRJESA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000303907493 1012515942 /nfs/dbraw/zinc/51/59/42/1012515942.db2.gz WWFBPMYGUWCKCD-RXVVDRJESA-N 3 1 371.573 2.807 20 30 FFEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303906274 1012516920 /nfs/dbraw/zinc/51/69/20/1012516920.db2.gz ZVOQYFVABVOLDQ-HXUWFJFHSA-N 2 1 373.589 2.714 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCCC2)c1 ZINC000303972760 1012546921 /nfs/dbraw/zinc/54/69/21/1012546921.db2.gz GELQCZLNUQVOCN-QGZVFWFLSA-N 2 1 359.518 2.682 20 30 FFEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001050675147 1017106710 /nfs/dbraw/zinc/10/67/10/1017106710.db2.gz KFQDGLGYXMZVIL-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(C#N)c(CC)c1)CC[NH2+]CC2 ZINC001222231361 1032843458 /nfs/dbraw/zinc/84/34/58/1032843458.db2.gz LCTYMTQAHXEXSW-IBGZPJMESA-N 2 1 355.482 2.628 20 30 FFEDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)c(CC)c1)CC[NH2+]CC2 ZINC001222231361 1032843471 /nfs/dbraw/zinc/84/34/71/1032843471.db2.gz LCTYMTQAHXEXSW-IBGZPJMESA-N 2 1 355.482 2.628 20 30 FFEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000902741834 1020443121 /nfs/dbraw/zinc/44/31/21/1020443121.db2.gz WXQQLXSNPZEDHZ-XMSQKQJNSA-N 2 1 363.509 2.983 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1cccc(C#N)c1)C2 ZINC001099026967 1021625896 /nfs/dbraw/zinc/62/58/96/1021625896.db2.gz IRTJNCNQXHLVTI-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001099026967 1021625898 /nfs/dbraw/zinc/62/58/98/1021625898.db2.gz IRTJNCNQXHLVTI-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001099026967 1021625904 /nfs/dbraw/zinc/62/59/04/1021625904.db2.gz IRTJNCNQXHLVTI-AGHHOFFYSA-N 2 1 366.509 2.513 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCCCC2)C3)CC1 ZINC001099174529 1022002079 /nfs/dbraw/zinc/00/20/79/1022002079.db2.gz RMKVNMHGRSMRAE-GMAHTHKFSA-N 2 1 371.569 2.883 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250437 1022164689 /nfs/dbraw/zinc/16/46/89/1022164689.db2.gz MGBMKFBJTKBTFR-MGPQQGTHSA-N 2 1 367.843 2.591 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099250437 1022164692 /nfs/dbraw/zinc/16/46/92/1022164692.db2.gz MGBMKFBJTKBTFR-MGPQQGTHSA-N 2 1 367.843 2.591 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624972 1033253224 /nfs/dbraw/zinc/25/32/24/1033253224.db2.gz ZDTVLGUPIGLYIQ-HSALFYBXSA-N 2 1 367.578 2.989 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984761 1025243512 /nfs/dbraw/zinc/24/35/12/1025243512.db2.gz JZOGTIQUWUGDNM-FVQBIDKESA-N 2 1 352.910 2.833 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984761 1025243519 /nfs/dbraw/zinc/24/35/19/1025243519.db2.gz JZOGTIQUWUGDNM-FVQBIDKESA-N 2 1 352.910 2.833 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359013 1027301026 /nfs/dbraw/zinc/30/10/26/1027301026.db2.gz CWXDYIPFPFXADB-KBAYOESNSA-N 2 1 355.954 2.935 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359013 1027301043 /nfs/dbraw/zinc/30/10/43/1027301043.db2.gz CWXDYIPFPFXADB-KBAYOESNSA-N 2 1 355.954 2.935 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359013 1027301064 /nfs/dbraw/zinc/30/10/64/1027301064.db2.gz CWXDYIPFPFXADB-KBAYOESNSA-N 2 1 355.954 2.935 20 30 FFEDMP C=C(C)CN(CC)C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160689592 1027805934 /nfs/dbraw/zinc/80/59/34/1027805934.db2.gz PGRIWBCAXLPBMS-IFMALSPDSA-N 2 1 355.526 2.913 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757347 1028147717 /nfs/dbraw/zinc/14/77/17/1028147717.db2.gz WXWVRPCEOMIFDL-NXHRZFHOSA-N 2 1 355.954 2.934 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111795973 1029471509 /nfs/dbraw/zinc/47/15/09/1029471509.db2.gz NSHSZQVATUASQQ-RXVVDRJESA-N 2 1 356.514 2.845 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001112002386 1029850014 /nfs/dbraw/zinc/85/00/14/1029850014.db2.gz DPOALPSHWJKXLT-UNMCSNQZSA-N 2 1 371.525 2.535 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112114537 1030038320 /nfs/dbraw/zinc/03/83/20/1030038320.db2.gz UXVDDHOPLNWJSC-RBSFLKMASA-N 2 1 370.419 2.706 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@@H]3CCC[N@H+]3C)[nH]n1)C2 ZINC001112360919 1030656262 /nfs/dbraw/zinc/65/62/62/1030656262.db2.gz RYOVRPPQYUKKJW-LRQRDZAKSA-N 2 1 371.529 2.584 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([C@@H]3CCC[N@@H+]3C)[nH]n1)C2 ZINC001112360919 1030656265 /nfs/dbraw/zinc/65/62/65/1030656265.db2.gz RYOVRPPQYUKKJW-LRQRDZAKSA-N 2 1 371.529 2.584 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001112396751 1030739089 /nfs/dbraw/zinc/73/90/89/1030739089.db2.gz CFOSQMPUSZHJEH-FCEWJHQRSA-N 2 1 362.905 2.731 20 30 FFEDMP C[NH+](C)CCN1CCC2(CC[NH+](Cc3c(Cl)cccc3C#N)CC2)C1=O ZINC001276436671 1031052614 /nfs/dbraw/zinc/05/26/14/1031052614.db2.gz GVKIVETYZVORLH-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCC)C1 ZINC001205624909 1031880631 /nfs/dbraw/zinc/88/06/31/1031880631.db2.gz CTWAAZUBSCQNQS-TYPHKJRUSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCC)C1 ZINC001205624909 1031880653 /nfs/dbraw/zinc/88/06/53/1031880653.db2.gz CTWAAZUBSCQNQS-TYPHKJRUSA-N 2 1 371.500 2.607 20 30 FFEDMP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871063 1033390097 /nfs/dbraw/zinc/39/00/97/1033390097.db2.gz GWRSSLCHVUYQSU-UWJYYQICSA-N 2 1 374.488 2.974 20 30 FFEDMP C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)cc1 ZINC001218871063 1033390106 /nfs/dbraw/zinc/39/01/06/1033390106.db2.gz GWRSSLCHVUYQSU-UWJYYQICSA-N 2 1 374.488 2.974 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219066966 1033502954 /nfs/dbraw/zinc/50/29/54/1033502954.db2.gz CTGGYOPDPXVROR-SLFFLAALSA-N 2 1 363.546 2.519 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223947018 1033655958 /nfs/dbraw/zinc/65/59/58/1033655958.db2.gz SHKDBDVLFCPYOZ-NQIIRXRSSA-N 2 1 368.525 2.713 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229134936 1036514317 /nfs/dbraw/zinc/51/43/17/1036514317.db2.gz HZDXWFFMZMNEAF-XUVXKRRUSA-N 2 1 365.562 2.861 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001229860650 1036944028 /nfs/dbraw/zinc/94/40/28/1036944028.db2.gz XXDPRKQVCDTAJW-WOJBJXKFSA-N 2 1 359.489 2.536 20 30 FFEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)Cc1cccnc1 ZINC001230780852 1037355376 /nfs/dbraw/zinc/35/53/76/1037355376.db2.gz AKNOLYWTFCPNQW-RTBURBONSA-N 2 1 367.497 2.883 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001235523431 1037609053 /nfs/dbraw/zinc/60/90/53/1037609053.db2.gz WHXBKSXXZOJFHM-VXKWHMMOSA-N 2 1 356.510 2.906 20 30 FFEDMP C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C2)C1=O ZINC001277611695 1038191985 /nfs/dbraw/zinc/19/19/85/1038191985.db2.gz LMLBTBPOIJDVKR-NRFANRHFSA-N 2 1 359.489 2.888 20 30 FFEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858540 1038637010 /nfs/dbraw/zinc/63/70/10/1038637010.db2.gz HZLXCGLPYSGEAB-SFTDATJTSA-N 2 1 357.498 2.877 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001246031147 1039201872 /nfs/dbraw/zinc/20/18/72/1039201872.db2.gz JFVHHMIFFRWPEM-RTWAWAEBSA-N 2 1 370.578 2.959 20 30 FFEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246031147 1039201910 /nfs/dbraw/zinc/20/19/10/1039201910.db2.gz JFVHHMIFFRWPEM-RTWAWAEBSA-N 2 1 370.578 2.959 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246304304 1039305308 /nfs/dbraw/zinc/30/53/08/1039305308.db2.gz MHLMEPHMUPDCIG-YJBOKZPZSA-N 2 1 352.425 2.639 20 30 FFEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764430 1039472214 /nfs/dbraw/zinc/47/22/14/1039472214.db2.gz KGIWOFSFVQQMFV-COPCDDAFSA-N 2 1 368.525 2.618 20 30 FFEDMP CCC1(C[N@H+]2CCC[C@@]3(CCN(Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472176 1039533854 /nfs/dbraw/zinc/53/38/54/1039533854.db2.gz DLTDSATUFHYZQL-NRFANRHFSA-N 2 1 356.514 2.611 20 30 FFEDMP C#CCN(C(=O)NCCC[N@H+](CC)C1CCCCC1)C1CC[NH+](C)CC1 ZINC001252695694 1039650896 /nfs/dbraw/zinc/65/08/96/1039650896.db2.gz FVIDEGSLEOOVIT-UHFFFAOYSA-N 2 1 362.562 2.770 20 30 FFEDMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374810 1040118177 /nfs/dbraw/zinc/11/81/77/1040118177.db2.gz OUQPXKCUSXXQQX-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CCCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132111 1041165654 /nfs/dbraw/zinc/16/56/54/1041165654.db2.gz RQSYZRWOQWINSA-KJJMTIBFSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CCCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132111 1041165660 /nfs/dbraw/zinc/16/56/60/1041165660.db2.gz RQSYZRWOQWINSA-KJJMTIBFSA-N 2 1 365.521 2.786 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC)[NH+](C)C ZINC001264055536 1042601304 /nfs/dbraw/zinc/60/13/04/1042601304.db2.gz DTPFAKFDKJUWHB-IPMKNSEASA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC)[NH+](C)C ZINC001264055536 1042601306 /nfs/dbraw/zinc/60/13/06/1042601306.db2.gz DTPFAKFDKJUWHB-IPMKNSEASA-N 2 1 360.477 2.507 20 30 FFEDMP Cc1ncoc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001279358064 1043025186 /nfs/dbraw/zinc/02/51/86/1043025186.db2.gz GLNSMIOCMRFUGT-UXHICEINSA-N 2 1 353.470 2.918 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475507 1043158327 /nfs/dbraw/zinc/15/83/27/1043158327.db2.gz ZHWQHOULSQHQHB-ZVDOUQERSA-N 2 1 356.514 2.610 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475507 1043158328 /nfs/dbraw/zinc/15/83/28/1043158328.db2.gz ZHWQHOULSQHQHB-ZVDOUQERSA-N 2 1 356.514 2.610 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475507 1043158337 /nfs/dbraw/zinc/15/83/37/1043158337.db2.gz ZHWQHOULSQHQHB-ZVDOUQERSA-N 2 1 356.514 2.610 20 30 FFEDMP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3O)CC2)C1 ZINC001279497641 1043187444 /nfs/dbraw/zinc/18/74/44/1043187444.db2.gz IZEWOUUIPOJGFG-UHFFFAOYSA-N 2 1 356.514 2.503 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C#N)cc3O)CC2)C1 ZINC001279497641 1043187448 /nfs/dbraw/zinc/18/74/48/1043187448.db2.gz IZEWOUUIPOJGFG-UHFFFAOYSA-N 2 1 356.514 2.503 20 30 FFEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC23CN(CCCC#N)C3)cc1 ZINC001280181573 1044363135 /nfs/dbraw/zinc/36/31/35/1044363135.db2.gz SDCWNLYOBPNQPK-UHFFFAOYSA-N 2 1 356.514 2.581 20 30 FFEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC23CN(CCCC#N)C3)cc1 ZINC001280181573 1044363147 /nfs/dbraw/zinc/36/31/47/1044363147.db2.gz SDCWNLYOBPNQPK-UHFFFAOYSA-N 2 1 356.514 2.581 20 30 FFEDMP CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316726538 1044656380 /nfs/dbraw/zinc/65/63/80/1044656380.db2.gz GJUDSVDQPWXUIU-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316726538 1044656384 /nfs/dbraw/zinc/65/63/84/1044656384.db2.gz GJUDSVDQPWXUIU-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316726538 1044656386 /nfs/dbraw/zinc/65/63/86/1044656386.db2.gz GJUDSVDQPWXUIU-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316726538 1044656395 /nfs/dbraw/zinc/65/63/95/1044656395.db2.gz GJUDSVDQPWXUIU-NHCUHLMSSA-N 2 1 371.500 2.607 20 30 FFEDMP CCCCCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2 ZINC001327320409 1047845785 /nfs/dbraw/zinc/84/57/85/1047845785.db2.gz RYOJZEMEYTZXLF-RBUKOAKNSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCO2 ZINC001327320409 1047845797 /nfs/dbraw/zinc/84/57/97/1047845797.db2.gz RYOJZEMEYTZXLF-RBUKOAKNSA-N 2 1 365.562 2.600 20 30 FFEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC001334080900 1049237726 /nfs/dbraw/zinc/23/77/26/1049237726.db2.gz CAPZPEQAUVGCAT-NQIIRXRSSA-N 2 1 371.525 2.723 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001341749610 1050366920 /nfs/dbraw/zinc/36/69/20/1050366920.db2.gz IKSSFCAYDQWTIK-SJORKVTESA-N 2 1 371.533 2.521 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001341749610 1050366925 /nfs/dbraw/zinc/36/69/25/1050366925.db2.gz IKSSFCAYDQWTIK-SJORKVTESA-N 2 1 371.533 2.521 20 30 FFEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000849085490 1055633712 /nfs/dbraw/zinc/63/37/12/1055633712.db2.gz OPAUWPPUTQPNKR-NRFANRHFSA-N 2 1 352.482 2.619 20 30 FFEDMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001507024347 1059588994 /nfs/dbraw/zinc/58/89/94/1059588994.db2.gz KLQPMHDKGVRLIO-HKBOAZHASA-N 2 1 355.526 2.735 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001479643799 1062702370 /nfs/dbraw/zinc/70/23/70/1062702370.db2.gz DYQHCCBTJMUOGK-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001464690994 1062764712 /nfs/dbraw/zinc/76/47/12/1062764712.db2.gz CYYAMYZFNBJHQE-IBGZPJMESA-N 2 1 356.514 2.663 20 30 FFEDMP C=CCN(c1nnc([C@H]2CCC[NH2+]C2)n1CC[N@H+](C)[C@@H](C)CC)C1CC1 ZINC001574936410 1078094689 /nfs/dbraw/zinc/09/46/89/1078094689.db2.gz VCAYXBGZYWQMKN-IRXDYDNUSA-N 2 1 360.550 2.630 20 30 FFEDMP C=CCN(c1nnc([C@H]2CCC[NH2+]C2)n1CC[N@H+](C)[C@H](C)CC)C1CC1 ZINC001574936412 1078094865 /nfs/dbraw/zinc/09/48/65/1078094865.db2.gz VCAYXBGZYWQMKN-SJORKVTESA-N 2 1 360.550 2.630 20 30 FFEDMP CCC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001577377592 1078345115 /nfs/dbraw/zinc/34/51/15/1078345115.db2.gz RBYVWRGHYKBKLU-OAQYLSRUSA-N 2 1 353.510 2.503 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(CC)cc3)CC2)CC1 ZINC001563957928 1076595474 /nfs/dbraw/zinc/59/54/74/1076595474.db2.gz BRZGFPBUJDYRTB-UHFFFAOYSA-N 2 1 370.541 2.727 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001565884987 1076778991 /nfs/dbraw/zinc/77/89/91/1076778991.db2.gz IGJZNLSSKCKIRJ-FCHUYYIVSA-N 2 1 367.537 2.860 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000328797561 258120797 /nfs/dbraw/zinc/12/07/97/258120797.db2.gz VYBJOGBYNZVXQV-LJQANCHMSA-N 2 1 368.525 2.857 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000371333200 512335617 /nfs/dbraw/zinc/33/56/17/512335617.db2.gz CNTGDKPOCPJUOS-HXUWFJFHSA-N 2 1 373.541 2.860 20 30 FFEDMP Cc1ccc(C#N)c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000371383342 512367346 /nfs/dbraw/zinc/36/73/46/512367346.db2.gz DNAUEFWZPWSWIJ-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080121096 508040611 /nfs/dbraw/zinc/04/06/11/508040611.db2.gz UBVADNDZQONDHG-GHTZIAJQSA-N 2 1 370.541 2.989 20 30 FFEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000093132880 508123117 /nfs/dbraw/zinc/12/31/17/508123117.db2.gz ZWKBQEBCVDLXIZ-HXUWFJFHSA-N 2 1 356.514 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC000106388513 508400117 /nfs/dbraw/zinc/40/01/17/508400117.db2.gz HGOCNSLDMDLWNB-LJQANCHMSA-N 2 1 362.514 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC000106388513 508400118 /nfs/dbraw/zinc/40/01/18/508400118.db2.gz HGOCNSLDMDLWNB-LJQANCHMSA-N 2 1 362.514 2.580 20 30 FFEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000154378332 508771659 /nfs/dbraw/zinc/77/16/59/508771659.db2.gz AVOIVCKHQRLAEZ-UHFFFAOYSA-N 2 1 364.497 2.511 20 30 FFEDMP CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000154378332 508771660 /nfs/dbraw/zinc/77/16/60/508771660.db2.gz AVOIVCKHQRLAEZ-UHFFFAOYSA-N 2 1 364.497 2.511 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(OC)c1O ZINC000371468228 512419949 /nfs/dbraw/zinc/41/99/49/512419949.db2.gz AERSCHPIWHMQIS-GUDVDZBRSA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(OC)c1O ZINC000371468228 512419952 /nfs/dbraw/zinc/41/99/52/512419952.db2.gz AERSCHPIWHMQIS-GUDVDZBRSA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000247890612 509187285 /nfs/dbraw/zinc/18/72/85/509187285.db2.gz FHDMTSGSCDZDMY-AQNXPRMDSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000247890612 509187293 /nfs/dbraw/zinc/18/72/93/509187293.db2.gz FHDMTSGSCDZDMY-AQNXPRMDSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000247890612 509187297 /nfs/dbraw/zinc/18/72/97/509187297.db2.gz FHDMTSGSCDZDMY-AQNXPRMDSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C(C)C ZINC000182359846 509194861 /nfs/dbraw/zinc/19/48/61/509194861.db2.gz YBNWAIGLDJQNIY-SLFFLAALSA-N 2 1 362.562 2.811 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264114803 509336587 /nfs/dbraw/zinc/33/65/87/509336587.db2.gz SBMHRDXCAQZBBA-MRXNPFEDSA-N 2 1 362.518 2.620 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000173197243 509451112 /nfs/dbraw/zinc/45/11/12/509451112.db2.gz IKHGPRGWPGLKMP-HXUWFJFHSA-N 2 1 370.541 2.800 20 30 FFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000248866317 509517988 /nfs/dbraw/zinc/51/79/88/509517988.db2.gz QDHPXDNABPLHJX-NSISKUIASA-N 2 1 354.498 2.556 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@]1(C)CCCS1 ZINC000261997397 510144258 /nfs/dbraw/zinc/14/42/58/510144258.db2.gz SSYKVEQMCHZBBM-SFHVURJKSA-N 2 1 358.515 2.526 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000190538249 510190929 /nfs/dbraw/zinc/19/09/29/510190929.db2.gz XSBOQYSOUMVGOY-HXUWFJFHSA-N 2 1 368.481 2.713 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000245936022 510217741 /nfs/dbraw/zinc/21/77/41/510217741.db2.gz VRWWAYJLSUHXTE-RTBURBONSA-N 2 1 359.901 2.547 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000171709537 510322521 /nfs/dbraw/zinc/32/25/21/510322521.db2.gz BOTFWXRPPKVENR-UHFFFAOYSA-N 2 1 358.530 2.976 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC(NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000181535432 510459458 /nfs/dbraw/zinc/45/94/58/510459458.db2.gz IQMCOGSVNZDRFZ-UHFFFAOYSA-N 2 1 352.526 2.987 20 30 FFEDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000269707214 510520734 /nfs/dbraw/zinc/52/07/34/510520734.db2.gz ZXCYQZMVTWBHGI-UHFFFAOYSA-N 2 1 356.514 2.579 20 30 FFEDMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1C#N ZINC000191338276 510611937 /nfs/dbraw/zinc/61/19/37/510611937.db2.gz MIDGZURHCUEUPE-QFIPXVFZSA-N 2 1 366.509 2.774 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000195291290 510765799 /nfs/dbraw/zinc/76/57/99/510765799.db2.gz JUXXLFHSAGUJAW-QGZVFWFLSA-N 2 1 368.481 2.953 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329934556 510881793 /nfs/dbraw/zinc/88/17/93/510881793.db2.gz CASPXEPCPBWTFY-IXDOHACOSA-N 2 1 361.534 2.706 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329934556 510881795 /nfs/dbraw/zinc/88/17/95/510881795.db2.gz CASPXEPCPBWTFY-IXDOHACOSA-N 2 1 361.534 2.706 20 30 FFEDMP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC[C@H]21 ZINC000330121691 510920866 /nfs/dbraw/zinc/92/08/66/510920866.db2.gz GZEJTAWFGNWRST-BRWVUGGUSA-N 2 1 373.545 2.826 20 30 FFEDMP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)CC[C@H]21 ZINC000330121691 510920870 /nfs/dbraw/zinc/92/08/70/510920870.db2.gz GZEJTAWFGNWRST-BRWVUGGUSA-N 2 1 373.545 2.826 20 30 FFEDMP C[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000330297921 510960291 /nfs/dbraw/zinc/96/02/91/510960291.db2.gz LFRLEOJXSKRPSH-SFHVURJKSA-N 2 1 359.518 2.554 20 30 FFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278546889 510998984 /nfs/dbraw/zinc/99/89/84/510998984.db2.gz AZFXZAMWIFTLSJ-INIZCTEOSA-N 2 1 363.469 2.790 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000362143094 511138760 /nfs/dbraw/zinc/13/87/60/511138760.db2.gz TVFASOCFLFPNNY-WOJBJXKFSA-N 2 1 374.504 2.911 20 30 FFEDMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711730 511717455 /nfs/dbraw/zinc/71/74/55/511717455.db2.gz IHONDKCCBMKVSL-QUCCMNQESA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711730 511717458 /nfs/dbraw/zinc/71/74/58/511717458.db2.gz IHONDKCCBMKVSL-QUCCMNQESA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711730 511717459 /nfs/dbraw/zinc/71/74/59/511717459.db2.gz IHONDKCCBMKVSL-QUCCMNQESA-N 2 1 368.525 2.829 20 30 FFEDMP C#CC[C@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824512 511790473 /nfs/dbraw/zinc/79/04/73/511790473.db2.gz QQEGOJXZNGACGH-SFTDATJTSA-N 2 1 368.525 2.561 20 30 FFEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000329087732 511980979 /nfs/dbraw/zinc/98/09/79/511980979.db2.gz HMKCIQMHVSQFPN-GOSISDBHSA-N 2 1 369.513 2.942 20 30 FFEDMP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)o1 ZINC000329221365 512007785 /nfs/dbraw/zinc/00/77/85/512007785.db2.gz URRZOPMHKCXFGL-SJORKVTESA-N 2 1 363.506 2.798 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371596698 512485879 /nfs/dbraw/zinc/48/58/79/512485879.db2.gz JKGYRAJLUCGDJK-HXUWFJFHSA-N 2 1 370.541 2.848 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(OC)c1O ZINC000370706400 513063018 /nfs/dbraw/zinc/06/30/18/513063018.db2.gz MGNOJHOUPANEKI-XLIONFOSSA-N 2 1 373.541 2.587 20 30 FFEDMP C=CCc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(OC)c1O ZINC000370706400 513063020 /nfs/dbraw/zinc/06/30/20/513063020.db2.gz MGNOJHOUPANEKI-XLIONFOSSA-N 2 1 373.541 2.587 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528678 513811967 /nfs/dbraw/zinc/81/19/67/513811967.db2.gz LVMTTYKZHHJDGJ-HXUWFJFHSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528678 513811972 /nfs/dbraw/zinc/81/19/72/513811972.db2.gz LVMTTYKZHHJDGJ-HXUWFJFHSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528678 513811977 /nfs/dbraw/zinc/81/19/77/513811977.db2.gz LVMTTYKZHHJDGJ-HXUWFJFHSA-N 2 1 362.562 2.973 20 30 FFEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000451528678 513811984 /nfs/dbraw/zinc/81/19/84/513811984.db2.gz LVMTTYKZHHJDGJ-HXUWFJFHSA-N 2 1 362.562 2.973 20 30 FFEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000414537565 514168583 /nfs/dbraw/zinc/16/85/83/514168583.db2.gz PJLOOJNMAHBQGZ-FQEVSTJZSA-N 2 1 351.498 2.505 20 30 FFEDMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438478985 514387287 /nfs/dbraw/zinc/38/72/87/514387287.db2.gz OBCFUFLQZROQMJ-UHFFFAOYSA-N 2 1 351.454 2.894 20 30 FFEDMP CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424132115 514392917 /nfs/dbraw/zinc/39/29/17/514392917.db2.gz KJJGXUOTHWFNLZ-PMACEKPBSA-N 2 1 356.514 2.911 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000424179686 514408240 /nfs/dbraw/zinc/40/82/40/514408240.db2.gz ZMZZZPCTQGEDBM-LJQANCHMSA-N 2 1 354.498 2.522 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000465667831 516223549 /nfs/dbraw/zinc/22/35/49/516223549.db2.gz RPBPKOLYOBHLTM-PXNSSMCTSA-N 2 1 371.529 2.677 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501832 516779953 /nfs/dbraw/zinc/77/99/53/516779953.db2.gz PPRNWKLRUZVZNS-KRWDZBQOSA-N 2 1 361.465 2.577 20 30 FFEDMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000533395156 517441030 /nfs/dbraw/zinc/44/10/30/517441030.db2.gz LOTDKIRWGDKILX-UHFFFAOYSA-N 2 1 364.493 2.821 20 30 FFEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000582236395 518654468 /nfs/dbraw/zinc/65/44/68/518654468.db2.gz SJNHWOLJJZECPS-SFHVURJKSA-N 2 1 350.470 2.701 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000582720197 518890519 /nfs/dbraw/zinc/89/05/19/518890519.db2.gz DPSXNCKFNCIGBF-OAHLLOKOSA-N 2 1 359.297 2.973 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(CCC#N)CC3)CC2)CC1 ZINC000572256507 519524144 /nfs/dbraw/zinc/52/41/44/519524144.db2.gz OBDWEZHJVAPONF-UHFFFAOYSA-N 2 1 360.546 2.725 20 30 FFEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000566646577 519593745 /nfs/dbraw/zinc/59/37/45/519593745.db2.gz PEVCIFQABDLJCY-ROUUACIJSA-N 2 1 351.535 2.907 20 30 FFEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)c2cccs2)CC1 ZINC000591500981 519932855 /nfs/dbraw/zinc/93/28/55/519932855.db2.gz ONINBPYXDCGDDM-SFHVURJKSA-N 2 1 358.486 2.837 20 30 FFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609133606 520201787 /nfs/dbraw/zinc/20/17/87/520201787.db2.gz ZWMQEAYCCQRAEK-UHFFFAOYSA-N 2 1 356.514 2.985 20 30 FFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600717143 520418669 /nfs/dbraw/zinc/41/86/69/520418669.db2.gz OCHCMFJENJGUBB-OAQYLSRUSA-N 2 1 367.493 2.928 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000614178410 520837484 /nfs/dbraw/zinc/83/74/84/520837484.db2.gz AOCIEMOXONBSAT-GHTZIAJQSA-N 2 1 354.542 2.946 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593899572 521281625 /nfs/dbraw/zinc/28/16/25/521281625.db2.gz CQLCWTHRNWOPRF-OAQYLSRUSA-N 2 1 368.525 2.903 20 30 FFEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178676284 729167351 /nfs/dbraw/zinc/16/73/51/729167351.db2.gz POVPWZYAJIZTCW-INIZCTEOSA-N 2 1 365.905 2.633 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000303774531 729734511 /nfs/dbraw/zinc/73/45/11/729734511.db2.gz FZJHPAXCCQYFLC-BETUJISGSA-N 2 1 354.882 2.575 20 30 FFEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCCCC1 ZINC000303895101 729735563 /nfs/dbraw/zinc/73/55/63/729735563.db2.gz SXPIBSMKVUXSBZ-UHFFFAOYSA-N 2 1 363.937 2.653 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877030032 732314614 /nfs/dbraw/zinc/31/46/14/732314614.db2.gz WLFRFFHKXXEXFZ-RHSMWYFYSA-N 2 1 350.894 2.833 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C(C)C ZINC000662682298 732345787 /nfs/dbraw/zinc/34/57/87/732345787.db2.gz QQUDBKRXSPFCRT-QZTJIDSGSA-N 2 1 351.441 2.779 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000815652760 741950385 /nfs/dbraw/zinc/95/03/85/741950385.db2.gz RNEZTQKSMGAMTP-CQSZACIVSA-N 2 1 355.404 2.967 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000815652760 741950388 /nfs/dbraw/zinc/95/03/88/741950388.db2.gz RNEZTQKSMGAMTP-CQSZACIVSA-N 2 1 355.404 2.967 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819899 742802770 /nfs/dbraw/zinc/80/27/70/742802770.db2.gz IHQAPANCAHRFOK-UHOSZYNNSA-N 2 1 361.917 2.522 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819899 742802778 /nfs/dbraw/zinc/80/27/78/742802778.db2.gz IHQAPANCAHRFOK-UHOSZYNNSA-N 2 1 361.917 2.522 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819899 742802789 /nfs/dbraw/zinc/80/27/89/742802789.db2.gz IHQAPANCAHRFOK-UHOSZYNNSA-N 2 1 361.917 2.522 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001028819899 742802795 /nfs/dbraw/zinc/80/27/95/742802795.db2.gz IHQAPANCAHRFOK-UHOSZYNNSA-N 2 1 361.917 2.522 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262355704 972061812 /nfs/dbraw/zinc/06/18/12/972061812.db2.gz FVNLOEZCDGRTNE-XIKSMUEASA-N 2 1 370.541 2.800 20 30 FFEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970459805 961373683 /nfs/dbraw/zinc/37/36/83/961373683.db2.gz OTVUOJHBFNKGCB-WMQCIHAUSA-N 2 1 355.526 2.735 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C#N)C1 ZINC001104362821 964085434 /nfs/dbraw/zinc/08/54/34/964085434.db2.gz LOLNURZOGOXPBO-YLJYHZDGSA-N 2 1 370.541 2.863 20 30 FFEDMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001266870327 965009911 /nfs/dbraw/zinc/00/99/11/965009911.db2.gz IMROBECMFGOBQW-XUVXKRRUSA-N 2 1 362.477 2.536 20 30 FFEDMP C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087467660 965123653 /nfs/dbraw/zinc/12/36/53/965123653.db2.gz IYWCNMPRUNYNQZ-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001087467660 965123659 /nfs/dbraw/zinc/12/36/59/965123659.db2.gz IYWCNMPRUNYNQZ-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087467660 965123664 /nfs/dbraw/zinc/12/36/64/965123664.db2.gz IYWCNMPRUNYNQZ-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087467660 965123678 /nfs/dbraw/zinc/12/36/78/965123678.db2.gz IYWCNMPRUNYNQZ-NSISKUIASA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087212934 966581494 /nfs/dbraw/zinc/58/14/94/966581494.db2.gz WZXQWKCCHWRUMN-OPYAIIAOSA-N 2 1 368.525 2.617 20 30 FFEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)CC1 ZINC001075454460 966853899 /nfs/dbraw/zinc/85/38/99/966853899.db2.gz UZKIIARSQDOKTE-SVFBPWRDSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454460 966853907 /nfs/dbraw/zinc/85/39/07/966853907.db2.gz UZKIIARSQDOKTE-SVFBPWRDSA-N 2 1 359.558 2.691 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454460 966853913 /nfs/dbraw/zinc/85/39/13/966853913.db2.gz UZKIIARSQDOKTE-SVFBPWRDSA-N 2 1 359.558 2.691 20 30 FFEDMP CC[NH+]=C(N[C@@H]1C[C@H](OCC)C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262394061 968092521 /nfs/dbraw/zinc/09/25/21/968092521.db2.gz MQETXXBYOYXITN-TZOQOTQKSA-N 2 1 362.562 2.905 20 30 FFEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753781 970678024 /nfs/dbraw/zinc/67/80/24/970678024.db2.gz SKKQOWPLJBVOFV-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]3C2)CC1 ZINC001088211785 973666919 /nfs/dbraw/zinc/66/69/19/973666919.db2.gz AFOKBPGYUMGLSB-YADHBBJMSA-N 2 1 371.569 2.692 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797633 974097584 /nfs/dbraw/zinc/09/75/84/974097584.db2.gz MTFWVHJMKSBJGS-TUNNFDKTSA-N 2 1 369.509 2.788 20 30 FFEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CCC[NH2+]1 ZINC000662797633 974097593 /nfs/dbraw/zinc/09/75/93/974097593.db2.gz MTFWVHJMKSBJGS-TUNNFDKTSA-N 2 1 369.509 2.788 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088770542 976074383 /nfs/dbraw/zinc/07/43/83/976074383.db2.gz SNYAJQPINQLMCB-TYCQWZJGSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088770542 976074395 /nfs/dbraw/zinc/07/43/95/976074395.db2.gz SNYAJQPINQLMCB-TYCQWZJGSA-N 2 1 366.509 2.512 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001087439934 977449301 /nfs/dbraw/zinc/44/93/01/977449301.db2.gz ALVJSSWFQCIJJA-FGZHOGPDSA-N 2 1 367.537 2.716 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)CC[NH+]1C ZINC001088577574 981286580 /nfs/dbraw/zinc/28/65/80/981286580.db2.gz BKPQYZVCYQLWIS-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)CC[NH+]1C ZINC001088577574 981286585 /nfs/dbraw/zinc/28/65/85/981286585.db2.gz BKPQYZVCYQLWIS-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)CC[N@@H+]1C ZINC001088577574 981286590 /nfs/dbraw/zinc/28/65/90/981286590.db2.gz BKPQYZVCYQLWIS-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)[C@@H]2C)CC[N@H+]1C ZINC001088577574 981286593 /nfs/dbraw/zinc/28/65/93/981286593.db2.gz BKPQYZVCYQLWIS-SMOSDQRPSA-N 2 1 373.928 2.611 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605174 981419789 /nfs/dbraw/zinc/41/97/89/981419789.db2.gz JTQGHXUJWPGKNC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605174 981419791 /nfs/dbraw/zinc/41/97/91/981419791.db2.gz JTQGHXUJWPGKNC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605174 981419793 /nfs/dbraw/zinc/41/97/93/981419793.db2.gz JTQGHXUJWPGKNC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088605174 981419794 /nfs/dbraw/zinc/41/97/94/981419794.db2.gz JTQGHXUJWPGKNC-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539691 982396929 /nfs/dbraw/zinc/39/69/29/982396929.db2.gz NKWDSQKHRWOMQH-XUVXKRRUSA-N 2 1 359.558 2.881 20 30 FFEDMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cccc(C#N)c1)CC2 ZINC001107614702 984823130 /nfs/dbraw/zinc/82/31/30/984823130.db2.gz JDZUZNHMYLNIRC-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001107614702 984823150 /nfs/dbraw/zinc/82/31/50/984823150.db2.gz JDZUZNHMYLNIRC-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107614702 984823175 /nfs/dbraw/zinc/82/31/75/984823175.db2.gz JDZUZNHMYLNIRC-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1C#N)CC2 ZINC001107646570 984938251 /nfs/dbraw/zinc/93/82/51/984938251.db2.gz KYGCEDKJTJQIOP-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001107646570 984938257 /nfs/dbraw/zinc/93/82/57/984938257.db2.gz KYGCEDKJTJQIOP-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001107646570 984938266 /nfs/dbraw/zinc/93/82/66/984938266.db2.gz KYGCEDKJTJQIOP-IFMALSPDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106112260 986534332 /nfs/dbraw/zinc/53/43/32/986534332.db2.gz ZRVKBXRRZPWMJR-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP N#Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000921711730 986837481 /nfs/dbraw/zinc/83/74/81/986837481.db2.gz NXQLUPCYBYCJPS-SFHVURJKSA-N 2 1 368.506 2.607 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106271337 987801385 /nfs/dbraw/zinc/80/13/85/987801385.db2.gz BLWOVKMXYZODJS-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001484742505 991742319 /nfs/dbraw/zinc/74/23/19/991742319.db2.gz DKOWLOYLYKVRHA-VQTJNVASSA-N 2 1 356.514 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001484742505 991742325 /nfs/dbraw/zinc/74/23/25/991742325.db2.gz DKOWLOYLYKVRHA-VQTJNVASSA-N 2 1 356.514 2.569 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC001484742505 991742334 /nfs/dbraw/zinc/74/23/34/991742334.db2.gz DKOWLOYLYKVRHA-VQTJNVASSA-N 2 1 356.514 2.569 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079195098 991909552 /nfs/dbraw/zinc/90/95/52/991909552.db2.gz CYFFGYBKGVOIDU-LWCVALJOSA-N 2 1 359.489 2.626 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000940757009 992147788 /nfs/dbraw/zinc/14/77/88/992147788.db2.gz PIDRNTRHUBGKJJ-HMXCVIKNSA-N 2 1 367.537 2.595 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000940757009 992147792 /nfs/dbraw/zinc/14/77/92/992147792.db2.gz PIDRNTRHUBGKJJ-HMXCVIKNSA-N 2 1 367.537 2.595 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000940757009 992147795 /nfs/dbraw/zinc/14/77/95/992147795.db2.gz PIDRNTRHUBGKJJ-HMXCVIKNSA-N 2 1 367.537 2.595 20 30 FFEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050664 992274747 /nfs/dbraw/zinc/27/47/47/992274747.db2.gz XHRCRYRQRKDGSY-HKBOAZHASA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050664 992274756 /nfs/dbraw/zinc/27/47/56/992274756.db2.gz XHRCRYRQRKDGSY-HKBOAZHASA-N 2 1 367.537 2.572 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050664 992274765 /nfs/dbraw/zinc/27/47/65/992274765.db2.gz XHRCRYRQRKDGSY-HKBOAZHASA-N 2 1 367.537 2.572 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995265782 992745139 /nfs/dbraw/zinc/74/51/39/992745139.db2.gz IOZLPCIZGBCVBU-HLAWJBBLSA-N 2 1 370.541 2.648 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995265782 992745150 /nfs/dbraw/zinc/74/51/50/992745150.db2.gz IOZLPCIZGBCVBU-HLAWJBBLSA-N 2 1 370.541 2.648 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995265782 992745156 /nfs/dbraw/zinc/74/51/56/992745156.db2.gz IOZLPCIZGBCVBU-HLAWJBBLSA-N 2 1 370.541 2.648 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOCc2ccccc2)CC1 ZINC000184647613 992906383 /nfs/dbraw/zinc/90/63/83/992906383.db2.gz BDNFAEQEGNPCBW-LJQANCHMSA-N 2 1 358.530 2.762 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC(C)C)c1ccccc1OC ZINC000184649305 992908150 /nfs/dbraw/zinc/90/81/50/992908150.db2.gz GAOZMSAVSLEBFE-LPHOPBHVSA-N 2 1 362.518 2.550 20 30 FFEDMP C(#CC[N@H+]1CC[C@H](Cc2ccncc2)C1)C[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000671243204 993226820 /nfs/dbraw/zinc/22/68/20/993226820.db2.gz UEZAOSOJKOUTHN-DNQXCXABSA-N 2 1 374.532 2.909 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001171070673 997134055 /nfs/dbraw/zinc/13/40/55/997134055.db2.gz HQAVBXQGVPRNOL-SFHVURJKSA-N 2 1 369.509 2.973 20 30 FFEDMP C#CC[C@@H]1CCC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844709694 998081466 /nfs/dbraw/zinc/08/14/66/998081466.db2.gz GWNDRGPIMMFFFQ-HJNYFJLDSA-N 2 1 365.521 2.660 20 30 FFEDMP C#CC[C@@H]1CCC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844709694 998081475 /nfs/dbraw/zinc/08/14/75/998081475.db2.gz GWNDRGPIMMFFFQ-HJNYFJLDSA-N 2 1 365.521 2.660 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844709694 998081487 /nfs/dbraw/zinc/08/14/87/998081487.db2.gz GWNDRGPIMMFFFQ-HJNYFJLDSA-N 2 1 365.521 2.660 20 30 FFEDMP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733329330 998964537 /nfs/dbraw/zinc/96/45/37/998964537.db2.gz QINYNEYZSKEDLB-OAQYLSRUSA-N 2 1 356.514 2.769 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085330818 999373694 /nfs/dbraw/zinc/37/36/94/999373694.db2.gz DEQKPDNTGRKCEE-DJIMGWMZSA-N 2 1 350.894 2.523 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2=CCCCC2)CC1 ZINC001096608454 1016347707 /nfs/dbraw/zinc/34/77/07/1016347707.db2.gz XDTJFKPMYNLSCR-FSSWDIPSSA-N 2 1 369.553 2.944 20 30 FFEDMP CC(=O)N1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596372 1000060665 /nfs/dbraw/zinc/06/06/65/1000060665.db2.gz MTJMJUCXIWNARX-ACRUOGEOSA-N 2 1 354.498 2.641 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109638994 1000750846 /nfs/dbraw/zinc/75/08/46/1000750846.db2.gz OKAXEXUKHBOEEX-FYQPLNBISA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109638994 1000750850 /nfs/dbraw/zinc/75/08/50/1000750850.db2.gz OKAXEXUKHBOEEX-FYQPLNBISA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638994 1000750858 /nfs/dbraw/zinc/75/08/58/1000750858.db2.gz OKAXEXUKHBOEEX-FYQPLNBISA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638994 1000750865 /nfs/dbraw/zinc/75/08/65/1000750865.db2.gz OKAXEXUKHBOEEX-FYQPLNBISA-N 2 1 363.546 2.564 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086882735 1001300914 /nfs/dbraw/zinc/30/09/14/1001300914.db2.gz ILFNQRXNGQAWCN-PWRODBHTSA-N 2 1 368.525 2.807 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013688 1002287817 /nfs/dbraw/zinc/28/78/17/1002287817.db2.gz WSPGNJZGLGIFQY-QMMLZNLJSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013688 1002287827 /nfs/dbraw/zinc/28/78/27/1002287827.db2.gz WSPGNJZGLGIFQY-QMMLZNLJSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013688 1002287833 /nfs/dbraw/zinc/28/78/33/1002287833.db2.gz WSPGNJZGLGIFQY-QMMLZNLJSA-N 2 1 365.537 2.945 20 30 FFEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596569 1002628521 /nfs/dbraw/zinc/62/85/21/1002628521.db2.gz IYHRVNMUONQTBG-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596569 1002628529 /nfs/dbraw/zinc/62/85/29/1002628529.db2.gz IYHRVNMUONQTBG-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596569 1002628538 /nfs/dbraw/zinc/62/85/38/1002628538.db2.gz IYHRVNMUONQTBG-BDTNDASRSA-N 2 1 367.537 2.714 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597607 1002663962 /nfs/dbraw/zinc/66/39/62/1002663962.db2.gz OUNFYCMEIWONHH-VQTJNVASSA-N 2 1 353.510 2.775 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604840 1003215479 /nfs/dbraw/zinc/21/54/79/1003215479.db2.gz PPSDLXDVLCCANG-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604840 1003215490 /nfs/dbraw/zinc/21/54/90/1003215490.db2.gz PPSDLXDVLCCANG-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604840 1003215498 /nfs/dbraw/zinc/21/54/98/1003215498.db2.gz PPSDLXDVLCCANG-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001489096895 1005407976 /nfs/dbraw/zinc/40/79/76/1005407976.db2.gz RLYUXXXVLBGWDM-NHCUHLMSSA-N 2 1 371.500 2.609 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001489096895 1005407977 /nfs/dbraw/zinc/40/79/77/1005407977.db2.gz RLYUXXXVLBGWDM-NHCUHLMSSA-N 2 1 371.500 2.609 20 30 FFEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852858092 1006209286 /nfs/dbraw/zinc/20/92/86/1006209286.db2.gz PQOQARQUNQAJMF-SFHVURJKSA-N 2 1 353.510 2.680 20 30 FFEDMP CCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000852861746 1006211317 /nfs/dbraw/zinc/21/13/17/1006211317.db2.gz IIMYUIAHCPUQMM-GHTZIAJQSA-N 2 1 353.510 2.673 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405727 1006566412 /nfs/dbraw/zinc/56/64/12/1006566412.db2.gz OYNROKGHJGKSKL-CMKODMSKSA-N 2 1 356.514 2.795 20 30 FFEDMP C=CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000883173963 1006684188 /nfs/dbraw/zinc/68/41/88/1006684188.db2.gz XRMKBZJTDLGUEZ-SFTDATJTSA-N 2 1 371.525 2.678 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759010 1008736542 /nfs/dbraw/zinc/73/65/42/1008736542.db2.gz JTHBIARIEFGNLG-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759010 1008736556 /nfs/dbraw/zinc/73/65/56/1008736556.db2.gz JTHBIARIEFGNLG-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759010 1008736564 /nfs/dbraw/zinc/73/65/64/1008736564.db2.gz JTHBIARIEFGNLG-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759010 1008736578 /nfs/dbraw/zinc/73/65/78/1008736578.db2.gz JTHBIARIEFGNLG-SFTDATJTSA-N 2 1 365.521 2.503 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001178518206 1009015298 /nfs/dbraw/zinc/01/52/98/1009015298.db2.gz KPHRUCHGHZYXHT-CRAIPNDOSA-N 2 1 362.543 2.726 20 30 FFEDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000863557053 1010253771 /nfs/dbraw/zinc/25/37/71/1010253771.db2.gz HIVLWIFDUMJYTF-HXUWFJFHSA-N 2 1 356.514 2.931 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497697 1011159731 /nfs/dbraw/zinc/15/97/31/1011159731.db2.gz IEQGGRRGFOMDBB-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CCC[C@@H]12 ZINC001094497697 1011159734 /nfs/dbraw/zinc/15/97/34/1011159734.db2.gz IEQGGRRGFOMDBB-FBBABVLZSA-N 2 1 356.514 2.691 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CC[NH+](C)C)CCC[C@@H]12 ZINC001094478014 1011168073 /nfs/dbraw/zinc/16/80/73/1011168073.db2.gz OEGYGTUZDDFXPJ-FYYLOGMGSA-N 2 1 367.537 2.788 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110858821 1011248130 /nfs/dbraw/zinc/24/81/30/1011248130.db2.gz SCDCEOKJDMCZCI-AQNXPRMDSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110858821 1011248144 /nfs/dbraw/zinc/24/81/44/1011248144.db2.gz SCDCEOKJDMCZCI-AQNXPRMDSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110858821 1011248153 /nfs/dbraw/zinc/24/81/53/1011248153.db2.gz SCDCEOKJDMCZCI-AQNXPRMDSA-N 2 1 363.546 2.565 20 30 FFEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303771170 1012425877 /nfs/dbraw/zinc/42/58/77/1012425877.db2.gz CLVOHMCBRYGRBV-HNNXBMFYSA-N 2 1 374.407 2.669 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303779867 1012427401 /nfs/dbraw/zinc/42/74/01/1012427401.db2.gz KXCYDGPIMKZXAA-NRFANRHFSA-N 3 1 371.573 2.807 20 30 FFEDMP CCOc1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)ccc1OC(F)F ZINC000303872190 1012475595 /nfs/dbraw/zinc/47/55/95/1012475595.db2.gz BWIAAPKNOVEBJM-AWEZNQCLSA-N 2 1 370.444 2.575 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303983232 1012551684 /nfs/dbraw/zinc/55/16/84/1012551684.db2.gz QYDHJSPYEWQTHY-NRFANRHFSA-N 3 1 371.573 2.951 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H]1CCCc2ccccc21 ZINC000304761332 1012871864 /nfs/dbraw/zinc/87/18/64/1012871864.db2.gz UHGJBSKKMPRMLX-UYAOXDASSA-N 2 1 358.530 2.859 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001045440956 1019968225 /nfs/dbraw/zinc/96/82/25/1019968225.db2.gz RTJGEUIYFGXTAP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001045440956 1019968233 /nfs/dbraw/zinc/96/82/33/1019968233.db2.gz RTJGEUIYFGXTAP-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044288 1020123003 /nfs/dbraw/zinc/12/30/03/1020123003.db2.gz JBAAKZXFGOOTES-MJCUULBUSA-N 2 1 353.510 2.629 20 30 FFEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044288 1020123010 /nfs/dbraw/zinc/12/30/10/1020123010.db2.gz JBAAKZXFGOOTES-MJCUULBUSA-N 2 1 353.510 2.629 20 30 FFEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044288 1020123018 /nfs/dbraw/zinc/12/30/18/1020123018.db2.gz JBAAKZXFGOOTES-MJCUULBUSA-N 2 1 353.510 2.629 20 30 FFEDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000931728169 1020564861 /nfs/dbraw/zinc/56/48/61/1020564861.db2.gz OGTTVUGQRLUULL-LSDHHAIUSA-N 2 1 372.538 2.996 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001111018340 1020606245 /nfs/dbraw/zinc/60/62/45/1020606245.db2.gz RLDYGWYKYIBAPB-CZYKHXBRSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001111018340 1020606249 /nfs/dbraw/zinc/60/62/49/1020606249.db2.gz RLDYGWYKYIBAPB-CZYKHXBRSA-N 2 1 367.537 2.880 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC3(CCC3)C2)CC1 ZINC001098460788 1020927100 /nfs/dbraw/zinc/92/71/00/1020927100.db2.gz JWEUERDDIVUXAZ-NJYVYQBISA-N 2 1 369.553 2.633 20 30 FFEDMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111458786 1021080979 /nfs/dbraw/zinc/08/09/79/1021080979.db2.gz IFXFEQHOVDXQNQ-VSKRKVRLSA-N 2 1 365.521 2.636 20 30 FFEDMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111458786 1021080987 /nfs/dbraw/zinc/08/09/87/1021080987.db2.gz IFXFEQHOVDXQNQ-VSKRKVRLSA-N 2 1 365.521 2.636 20 30 FFEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001491263663 1023409501 /nfs/dbraw/zinc/40/95/01/1023409501.db2.gz KAWUHCOEPXMSGS-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001121496681 1023811159 /nfs/dbraw/zinc/81/11/59/1023811159.db2.gz HXOSKRUZHSIARO-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001121496681 1023811162 /nfs/dbraw/zinc/81/11/62/1023811162.db2.gz HXOSKRUZHSIARO-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001121496681 1023811164 /nfs/dbraw/zinc/81/11/64/1023811164.db2.gz HXOSKRUZHSIARO-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001121595831 1023871686 /nfs/dbraw/zinc/87/16/86/1023871686.db2.gz YOLJJDBZHGEBSB-MSOLQXFVSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001121595831 1023871692 /nfs/dbraw/zinc/87/16/92/1023871692.db2.gz YOLJJDBZHGEBSB-MSOLQXFVSA-N 2 1 372.561 2.584 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001121595831 1023871694 /nfs/dbraw/zinc/87/16/94/1023871694.db2.gz YOLJJDBZHGEBSB-MSOLQXFVSA-N 2 1 372.561 2.584 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001123596467 1023892060 /nfs/dbraw/zinc/89/20/60/1023892060.db2.gz OHBHBQWXVGRURO-NRFANRHFSA-N 2 1 371.500 2.784 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001123596467 1023892065 /nfs/dbraw/zinc/89/20/65/1023892065.db2.gz OHBHBQWXVGRURO-NRFANRHFSA-N 2 1 371.500 2.784 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001101342676 1024500740 /nfs/dbraw/zinc/50/07/40/1024500740.db2.gz HTKNKLFWDHTYKU-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001101342676 1024500746 /nfs/dbraw/zinc/50/07/46/1024500746.db2.gz HTKNKLFWDHTYKU-UEXGIBASSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC001276303418 1024934594 /nfs/dbraw/zinc/93/45/94/1024934594.db2.gz WLHOHDTZVREAFA-RBBKRZOGSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@]2(CCC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001276303418 1024934599 /nfs/dbraw/zinc/93/45/99/1024934599.db2.gz WLHOHDTZVREAFA-RBBKRZOGSA-N 2 1 353.510 2.761 20 30 FFEDMP C=CCN1CC[C@]2(CCC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001276303418 1024934605 /nfs/dbraw/zinc/93/46/05/1024934605.db2.gz WLHOHDTZVREAFA-RBBKRZOGSA-N 2 1 353.510 2.761 20 30 FFEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000952300029 1024964174 /nfs/dbraw/zinc/96/41/74/1024964174.db2.gz CTXAZCWDFAXIOW-RTWAWAEBSA-N 2 1 355.526 2.831 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000245556270 1025454829 /nfs/dbraw/zinc/45/48/29/1025454829.db2.gz IZJSJOHHQCXGPX-HSALFYBXSA-N 2 1 370.541 2.968 20 30 FFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000245556270 1025454839 /nfs/dbraw/zinc/45/48/39/1025454839.db2.gz IZJSJOHHQCXGPX-HSALFYBXSA-N 2 1 370.541 2.968 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174150 1027030053 /nfs/dbraw/zinc/03/00/53/1027030053.db2.gz BSBVZANCAGAMNH-KBAYOESNSA-N 2 1 355.954 2.934 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174150 1027030062 /nfs/dbraw/zinc/03/00/62/1027030062.db2.gz BSBVZANCAGAMNH-KBAYOESNSA-N 2 1 355.954 2.934 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174150 1027030067 /nfs/dbraw/zinc/03/00/67/1027030067.db2.gz BSBVZANCAGAMNH-KBAYOESNSA-N 2 1 355.954 2.934 20 30 FFEDMP CCC(=O)On1nc2c(c1Nc1ccc([C@H]3CCC[NH2+]3)cc1)C[NH2+]C2(C)C ZINC001159392579 1027377480 /nfs/dbraw/zinc/37/74/80/1027377480.db2.gz FBIXKZPSFCYNSG-MRXNPFEDSA-N 2 1 369.469 2.755 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147660 1027618659 /nfs/dbraw/zinc/61/86/59/1027618659.db2.gz RBDLSEZOGFVBQU-NRFANRHFSA-N 2 1 355.526 2.691 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147660 1027618674 /nfs/dbraw/zinc/61/86/74/1027618674.db2.gz RBDLSEZOGFVBQU-NRFANRHFSA-N 2 1 355.526 2.691 20 30 FFEDMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103550241 1027666430 /nfs/dbraw/zinc/66/64/30/1027666430.db2.gz GQMAZLVURUMNPT-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP C=C1C[NH2+][C@](C)(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001160453682 1027712467 /nfs/dbraw/zinc/71/24/67/1027712467.db2.gz BZKDMJCPXFSCMG-FQEVSTJZSA-N 2 1 370.884 2.845 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001153501623 1027910268 /nfs/dbraw/zinc/91/02/68/1027910268.db2.gz OUWIGNPAEBCZOC-FHLIZLRMSA-N 2 1 362.543 2.677 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001153501623 1027910283 /nfs/dbraw/zinc/91/02/83/1027910283.db2.gz OUWIGNPAEBCZOC-FHLIZLRMSA-N 2 1 362.543 2.677 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccc(C#N)s2)CC[NH+]1C ZINC001153501623 1027910295 /nfs/dbraw/zinc/91/02/95/1027910295.db2.gz OUWIGNPAEBCZOC-FHLIZLRMSA-N 2 1 362.543 2.677 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740743 1028109777 /nfs/dbraw/zinc/10/97/77/1028109777.db2.gz SWQROXWWFKXNDX-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740743 1028109780 /nfs/dbraw/zinc/10/97/80/1028109780.db2.gz SWQROXWWFKXNDX-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740743 1028109786 /nfs/dbraw/zinc/10/97/86/1028109786.db2.gz SWQROXWWFKXNDX-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740743 1028109794 /nfs/dbraw/zinc/10/97/94/1028109794.db2.gz SWQROXWWFKXNDX-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP C[Si](C)(C)C#C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934080 1028715951 /nfs/dbraw/zinc/71/59/51/1028715951.db2.gz KKLDJXONXLDENA-FQEVSTJZSA-N 3 1 355.602 2.916 20 30 FFEDMP C[Si](C)(C)C#CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934080 1028715963 /nfs/dbraw/zinc/71/59/63/1028715963.db2.gz KKLDJXONXLDENA-FQEVSTJZSA-N 2 1 355.602 2.916 20 30 FFEDMP C[Si](C)(C)C#CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934080 1028715976 /nfs/dbraw/zinc/71/59/76/1028715976.db2.gz KKLDJXONXLDENA-FQEVSTJZSA-N 2 1 355.602 2.916 20 30 FFEDMP N#Cc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162935732 1028717599 /nfs/dbraw/zinc/71/75/99/1028717599.db2.gz ULVLYFCQSFQWQS-IBGZPJMESA-N 2 1 361.493 2.867 20 30 FFEDMP COC(=O)[C@@H]([NH3+])Cc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001163680128 1029023921 /nfs/dbraw/zinc/02/39/21/1029023921.db2.gz JCSNOMMHDZVSBX-HNNXBMFYSA-N 2 1 365.355 2.785 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794838 1029468385 /nfs/dbraw/zinc/46/83/85/1029468385.db2.gz MKBZQHQDGGPJPU-GUXCAODWSA-N 2 1 360.502 2.675 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794838 1029468390 /nfs/dbraw/zinc/46/83/90/1029468390.db2.gz MKBZQHQDGGPJPU-GUXCAODWSA-N 2 1 360.502 2.675 20 30 FFEDMP N#Cc1cc(Cl)c(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)cc1Cl ZINC001206630777 1031453382 /nfs/dbraw/zinc/45/33/82/1031453382.db2.gz NYBYEVOKVHVQGQ-NSHDSACASA-N 2 1 358.254 2.607 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cccc(F)c1 ZINC001205458378 1031763264 /nfs/dbraw/zinc/76/32/64/1031763264.db2.gz IIMXKWRTUUDXTI-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1F ZINC001205632390 1031889108 /nfs/dbraw/zinc/88/91/08/1031889108.db2.gz DQAHKRPGKJAMBU-AZUAARDMSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001205652890 1031905800 /nfs/dbraw/zinc/90/58/00/1031905800.db2.gz CZVIXQCLOYOAKD-XKGZKEIXSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001205654257 1031909156 /nfs/dbraw/zinc/90/91/56/1031909156.db2.gz YZQZARIFNZHMEU-IMFGXOCKSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000829779140 1033332757 /nfs/dbraw/zinc/33/27/57/1033332757.db2.gz OGYPNTDGRXAWAD-FQEVSTJZSA-N 2 1 353.510 2.634 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049413 1033489337 /nfs/dbraw/zinc/48/93/37/1033489337.db2.gz MLDIVVJDBUEPAC-VQTJNVASSA-N 2 1 363.546 2.520 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223947061 1033657143 /nfs/dbraw/zinc/65/71/43/1033657143.db2.gz SYKSBWVXKJRJPD-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCCCC)[C@H]3C2)CC1 ZINC001224227050 1033785114 /nfs/dbraw/zinc/78/51/14/1033785114.db2.gz DCLMJVGYCMOVLY-CTNGQTDRSA-N 2 1 359.558 2.835 20 30 FFEDMP c1ccc(C[N@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834977233 1035483602 /nfs/dbraw/zinc/48/36/02/1035483602.db2.gz RKOVODUPOSIRRN-UNMCSNQZSA-N 2 1 370.541 2.729 20 30 FFEDMP c1ccc(C[N@@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834977233 1035483603 /nfs/dbraw/zinc/48/36/03/1035483603.db2.gz RKOVODUPOSIRRN-UNMCSNQZSA-N 2 1 370.541 2.729 20 30 FFEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001277281997 1036015087 /nfs/dbraw/zinc/01/50/87/1036015087.db2.gz JCFCWZABVBRBMH-HXUWFJFHSA-N 2 1 351.454 2.824 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001229340386 1036622150 /nfs/dbraw/zinc/62/21/50/1036622150.db2.gz MTVDXXYZNOIHSS-RTBURBONSA-N 2 1 353.470 2.864 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229853222 1036936381 /nfs/dbraw/zinc/93/63/81/1036936381.db2.gz PEJFSRQUSHLIAR-QZTJIDSGSA-N 2 1 362.543 2.869 20 30 FFEDMP C(#Cc1ccccc1C[NH+]1CCN(C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001235699146 1037695378 /nfs/dbraw/zinc/69/53/78/1037695378.db2.gz LXSPXMBHZLQTLE-UHFFFAOYSA-N 2 1 359.517 2.956 20 30 FFEDMP Cc1cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)ccc1C#N ZINC001247904774 1040033998 /nfs/dbraw/zinc/03/39/98/1040033998.db2.gz IYVLRGUOOKLZDU-KRWDZBQOSA-N 2 1 351.454 2.848 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557767 1041827189 /nfs/dbraw/zinc/82/71/89/1041827189.db2.gz CAWCWICDPBUQMK-SVFBPWRDSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001264037045 1042590958 /nfs/dbraw/zinc/59/09/58/1042590958.db2.gz TXUNJJKGMSKYAY-VAMGGRTRSA-N 2 1 361.505 2.827 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001264037045 1042590959 /nfs/dbraw/zinc/59/09/59/1042590959.db2.gz TXUNJJKGMSKYAY-VAMGGRTRSA-N 2 1 361.505 2.827 20 30 FFEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(OCC#N)cc3)(C1)CCC2 ZINC001279650353 1043402360 /nfs/dbraw/zinc/40/23/60/1043402360.db2.gz ZKVJMACTGMUHPZ-LEWJYISDSA-N 2 1 356.514 2.675 20 30 FFEDMP C=CCCCC[N@H+]1CCc2cc(C(=O)N3CCC([NH+](C)C)CC3)[nH]c2C1 ZINC001279720083 1043525052 /nfs/dbraw/zinc/52/50/52/1043525052.db2.gz NLAXIKBZRLPACO-UHFFFAOYSA-N 2 1 358.530 2.895 20 30 FFEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279763390 1043606128 /nfs/dbraw/zinc/60/61/28/1043606128.db2.gz VTKRNKBXHXGWRS-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279763390 1043606132 /nfs/dbraw/zinc/60/61/32/1043606132.db2.gz VTKRNKBXHXGWRS-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279763390 1043606135 /nfs/dbraw/zinc/60/61/35/1043606135.db2.gz VTKRNKBXHXGWRS-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001329289702 1048655390 /nfs/dbraw/zinc/65/53/90/1048655390.db2.gz CNWSLJNMKVOLCO-LEWJYISDSA-N 2 1 369.553 2.843 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342026443 1050625516 /nfs/dbraw/zinc/62/55/16/1050625516.db2.gz NBPXKEKIZMSBAZ-KRWDZBQOSA-N 2 1 360.550 2.584 20 30 FFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000849050103 1055599134 /nfs/dbraw/zinc/59/91/34/1055599134.db2.gz OLUYNVCQANIZID-IBGZPJMESA-N 2 1 356.470 2.790 20 30 FFEDMP CCC(CC)[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+]1CCOCC1 ZINC000849057866 1055609389 /nfs/dbraw/zinc/60/93/89/1055609389.db2.gz XYZIBTICTDNJKR-FQEVSTJZSA-N 2 1 360.546 2.831 20 30 FFEDMP C=CCn1c(CN2CCCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001339569068 1056593609 /nfs/dbraw/zinc/59/36/09/1056593609.db2.gz ZHCLNISMBBAXTM-GOSISDBHSA-N 2 1 360.550 2.618 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001524412116 1062829592 /nfs/dbraw/zinc/82/95/92/1062829592.db2.gz HMFNCFMVLFVMCE-OAQYLSRUSA-N 2 1 374.488 2.922 20 30 FFEDMP C=CCC(C)(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001574890325 1078090833 /nfs/dbraw/zinc/09/08/33/1078090833.db2.gz XGHWFMBKNQQPDN-ROUUACIJSA-N 2 1 372.561 2.979 20 30 FFEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001566024930 1076860158 /nfs/dbraw/zinc/86/01/58/1076860158.db2.gz ZOLNFYNHYHOMJN-RBUKOAKNSA-N 2 1 353.470 2.816 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001566024930 1076860164 /nfs/dbraw/zinc/86/01/64/1076860164.db2.gz ZOLNFYNHYHOMJN-RBUKOAKNSA-N 2 1 353.470 2.816 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001566787147 1076982622 /nfs/dbraw/zinc/98/26/22/1076982622.db2.gz RLFSFRHOYWWROJ-PWRODBHTSA-N 2 1 355.526 2.911 20 30 FFEDMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066203251 506446630 /nfs/dbraw/zinc/44/66/30/506446630.db2.gz VGQVTQFABLKORG-GOSISDBHSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000066203251 506446635 /nfs/dbraw/zinc/44/66/35/506446635.db2.gz VGQVTQFABLKORG-GOSISDBHSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000066203251 506446640 /nfs/dbraw/zinc/44/66/40/506446640.db2.gz VGQVTQFABLKORG-GOSISDBHSA-N 2 1 371.529 2.506 20 30 FFEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000104327159 508332294 /nfs/dbraw/zinc/33/22/94/508332294.db2.gz NZMFLJBIDGGQAL-FQEVSTJZSA-N 2 1 356.514 2.593 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000106245316 508398550 /nfs/dbraw/zinc/39/85/50/508398550.db2.gz UYOFSAUIACMPQH-UHFFFAOYSA-N 2 1 368.481 2.978 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000106336484 508399484 /nfs/dbraw/zinc/39/94/84/508399484.db2.gz XLLSXOXVWKFTLP-UHFFFAOYSA-N 2 1 358.530 2.978 20 30 FFEDMP C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677085 509300624 /nfs/dbraw/zinc/30/06/24/509300624.db2.gz WISYSNJIVOWVCQ-ROUUACIJSA-N 2 1 360.546 2.914 20 30 FFEDMP C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677085 509300630 /nfs/dbraw/zinc/30/06/30/509300630.db2.gz WISYSNJIVOWVCQ-ROUUACIJSA-N 2 1 360.546 2.914 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621704 509338140 /nfs/dbraw/zinc/33/81/40/509338140.db2.gz LKFULTKWKQHDOX-QZTJIDSGSA-N 2 1 362.562 2.979 20 30 FFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000248866308 509518446 /nfs/dbraw/zinc/51/84/46/509518446.db2.gz QDHPXDNABPLHJX-LSTHTHJFSA-N 2 1 354.498 2.556 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261664667 510019716 /nfs/dbraw/zinc/01/97/16/510019716.db2.gz BFVFCSHCJFUOCM-DOMZBBRYSA-N 2 1 359.499 2.551 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000171780922 510366068 /nfs/dbraw/zinc/36/60/68/510366068.db2.gz JCSKMLKEWQLDPJ-FQEVSTJZSA-N 2 1 362.562 2.981 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000188041451 510564643 /nfs/dbraw/zinc/56/46/43/510564643.db2.gz AKPFXCACACUQAD-NRFANRHFSA-N 2 1 370.541 2.847 20 30 FFEDMP N#Cc1ccc(N2CC[C@H](N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015360 510801158 /nfs/dbraw/zinc/80/11/58/510801158.db2.gz XQINITVBQONRJI-YYWHXJBOSA-N 2 1 364.493 2.612 20 30 FFEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285449821 510911842 /nfs/dbraw/zinc/91/18/42/510911842.db2.gz IZWONENUCVKMHH-YIONKMFJSA-N 2 1 372.538 2.994 20 30 FFEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285449821 510911845 /nfs/dbraw/zinc/91/18/45/510911845.db2.gz IZWONENUCVKMHH-YIONKMFJSA-N 2 1 372.538 2.994 20 30 FFEDMP C[NH+]1CCN(c2ncccc2CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000330347084 510971578 /nfs/dbraw/zinc/97/15/78/510971578.db2.gz HJDMHKVXXLQWMS-GOSISDBHSA-N 2 1 359.518 2.554 20 30 FFEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cc(F)ccc1F ZINC000288668285 511083132 /nfs/dbraw/zinc/08/31/32/511083132.db2.gz HIOINLSJYMNDFV-UHFFFAOYSA-N 2 1 360.408 2.724 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282843964 511132166 /nfs/dbraw/zinc/13/21/66/511132166.db2.gz TYHHIAXJKPNJCC-OAQYLSRUSA-N 2 1 367.537 2.749 20 30 FFEDMP C=CCCO[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365912001 511725072 /nfs/dbraw/zinc/72/50/72/511725072.db2.gz MPNSNKYILSBXMC-SFHVURJKSA-N 2 1 365.562 2.622 20 30 FFEDMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000329790797 512098065 /nfs/dbraw/zinc/09/80/65/512098065.db2.gz DAPRLRSJEYUTLT-XUVXKRRUSA-N 2 1 363.546 2.975 20 30 FFEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000367495558 512529440 /nfs/dbraw/zinc/52/94/40/512529440.db2.gz OSDBWUSMPNAUQR-QFIPXVFZSA-N 2 1 368.525 2.737 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367495558 512529444 /nfs/dbraw/zinc/52/94/44/512529444.db2.gz OSDBWUSMPNAUQR-QFIPXVFZSA-N 2 1 368.525 2.737 20 30 FFEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367495558 512529448 /nfs/dbraw/zinc/52/94/48/512529448.db2.gz OSDBWUSMPNAUQR-QFIPXVFZSA-N 2 1 368.525 2.737 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000424136385 514395606 /nfs/dbraw/zinc/39/56/06/514395606.db2.gz AMRDZYGCHSITRG-ZWKOTPCHSA-N 2 1 362.905 2.832 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000424136385 514395612 /nfs/dbraw/zinc/39/56/12/514395612.db2.gz AMRDZYGCHSITRG-ZWKOTPCHSA-N 2 1 362.905 2.832 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428236644 514428738 /nfs/dbraw/zinc/42/87/38/514428738.db2.gz KYNXUQYAIIIIDU-CQSZACIVSA-N 2 1 368.319 2.629 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475453789 514671151 /nfs/dbraw/zinc/67/11/51/514671151.db2.gz ZLDYVHJCNSTELT-LEWJYISDSA-N 2 1 370.541 2.948 20 30 FFEDMP C=CCN1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000499600959 515385019 /nfs/dbraw/zinc/38/50/19/515385019.db2.gz RYSGAEADFKVJAE-HXUWFJFHSA-N 2 1 353.510 2.761 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000493790660 515663785 /nfs/dbraw/zinc/66/37/85/515663785.db2.gz QPOIKERLKBVLRH-WIYYLYMNSA-N 2 1 370.541 2.989 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000465667833 516223674 /nfs/dbraw/zinc/22/36/74/516223674.db2.gz RPBPKOLYOBHLTM-XLIONFOSSA-N 2 1 371.529 2.677 20 30 FFEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000528371080 516387967 /nfs/dbraw/zinc/38/79/67/516387967.db2.gz INRVWPBNPYWEBN-FPOVZHCZSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000528371080 516387978 /nfs/dbraw/zinc/38/79/78/516387978.db2.gz INRVWPBNPYWEBN-FPOVZHCZSA-N 2 1 371.525 2.886 20 30 FFEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000579843455 518884366 /nfs/dbraw/zinc/88/43/66/518884366.db2.gz HWSQUUWBRUZPBM-HZPDHXFCSA-N 2 1 372.469 2.788 20 30 FFEDMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567561 519019697 /nfs/dbraw/zinc/01/96/97/519019697.db2.gz UBJZICGDMLWCLM-HFSMHLIXSA-N 2 1 371.525 2.735 20 30 FFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440545 519966054 /nfs/dbraw/zinc/96/60/54/519966054.db2.gz FCDRWXGLHSTBEE-PXNSSMCTSA-N 2 1 356.514 2.946 20 30 FFEDMP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1Br ZINC000594447595 519972311 /nfs/dbraw/zinc/97/23/11/519972311.db2.gz ZZQXHPFCWHIJGY-OAHLLOKOSA-N 2 1 367.291 2.860 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4cc(C#N)ccc43)CC2)CC1 ZINC000597772890 520225620 /nfs/dbraw/zinc/22/56/20/520225620.db2.gz PTHIPQCYHBLRJH-UHFFFAOYSA-N 2 1 366.509 2.644 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372139 521181241 /nfs/dbraw/zinc/18/12/41/521181241.db2.gz IOBVTTFWHYLGSX-GIVPXCGWSA-N 2 1 371.525 2.558 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614130 522821530 /nfs/dbraw/zinc/82/15/30/522821530.db2.gz KQPTZDRPEJEXQN-OALUTQOASA-N 2 1 350.551 2.716 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625322904 523350596 /nfs/dbraw/zinc/35/05/96/523350596.db2.gz MLOXXAKGHBFVGZ-FCHUYYIVSA-N 2 1 367.537 2.911 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cc(Cl)ccc2s1 ZINC000261965752 729655689 /nfs/dbraw/zinc/65/56/89/729655689.db2.gz BASMOHUFTVUXSA-GFCCVEGCSA-N 2 1 351.907 2.838 20 30 FFEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262025693 729657706 /nfs/dbraw/zinc/65/77/06/729657706.db2.gz NFIRFMDTMCIQRQ-KEYYUXOJSA-N 2 1 368.884 2.555 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CC[C@@H](COC)C1 ZINC000262429698 729665967 /nfs/dbraw/zinc/66/59/67/729665967.db2.gz SEWVSUBGOAYCDF-RYRKJORJSA-N 2 1 364.559 2.675 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CCC[C@@]2(CCCOC2)C1 ZINC000262797596 729671371 /nfs/dbraw/zinc/67/13/71/729671371.db2.gz PVJNRDWSRKPNSN-AZUAARDMSA-N 2 1 350.551 2.719 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000876771556 732279696 /nfs/dbraw/zinc/27/96/96/732279696.db2.gz ZDORJLUEZWLHHC-CPUCHLNUSA-N 2 1 351.878 2.704 20 30 FFEDMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000904429159 736250645 /nfs/dbraw/zinc/25/06/45/736250645.db2.gz XUMXRQKZCKTOIV-SPJNRGJMSA-N 2 1 352.269 2.827 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180991820 970877920 /nfs/dbraw/zinc/87/79/20/970877920.db2.gz WXMVQDSDOIWTQD-UWJYYQICSA-N 2 1 365.477 2.834 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966509 971372440 /nfs/dbraw/zinc/37/24/40/971372440.db2.gz HKTRIYOIXAMXPK-SJORKVTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966509 971372447 /nfs/dbraw/zinc/37/24/47/971372447.db2.gz HKTRIYOIXAMXPK-SJORKVTESA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994154 971732411 /nfs/dbraw/zinc/73/24/11/971732411.db2.gz TWMVFGBHXYOYLN-ZIFCJYIRSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994154 971732416 /nfs/dbraw/zinc/73/24/16/971732416.db2.gz TWMVFGBHXYOYLN-ZIFCJYIRSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994154 971732421 /nfs/dbraw/zinc/73/24/21/971732421.db2.gz TWMVFGBHXYOYLN-ZIFCJYIRSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994154 971732427 /nfs/dbraw/zinc/73/24/27/971732427.db2.gz TWMVFGBHXYOYLN-ZIFCJYIRSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994154 971732434 /nfs/dbraw/zinc/73/24/34/971732434.db2.gz TWMVFGBHXYOYLN-ZIFCJYIRSA-N 2 1 365.949 2.926 20 30 FFEDMP C=CC[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001174890231 1013325323 /nfs/dbraw/zinc/32/53/23/1013325323.db2.gz GBMDJCPJBUIKDI-HXUWFJFHSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001174890231 1013325331 /nfs/dbraw/zinc/32/53/31/1013325331.db2.gz GBMDJCPJBUIKDI-HXUWFJFHSA-N 2 1 355.526 2.927 20 30 FFEDMP C=CC[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001174890231 1013325339 /nfs/dbraw/zinc/32/53/39/1013325339.db2.gz GBMDJCPJBUIKDI-HXUWFJFHSA-N 2 1 355.526 2.927 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087175625 965102936 /nfs/dbraw/zinc/10/29/36/965102936.db2.gz XLHOLXKZKJEEIV-UTKZUKDTSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087469580 965307148 /nfs/dbraw/zinc/30/71/48/965307148.db2.gz KVWRYSCROCRRSB-WOJBJXKFSA-N 2 1 359.489 2.772 20 30 FFEDMP C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262015166 965691830 /nfs/dbraw/zinc/69/18/30/965691830.db2.gz XNVRIFPDHDCOOW-HNAYVOBHSA-N 2 1 367.497 2.798 20 30 FFEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793466 967502434 /nfs/dbraw/zinc/50/24/34/967502434.db2.gz DZPUBKCUBWAEPC-YQVWRLOYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793466 967502441 /nfs/dbraw/zinc/50/24/41/967502441.db2.gz DZPUBKCUBWAEPC-YQVWRLOYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793466 967502447 /nfs/dbraw/zinc/50/24/47/967502447.db2.gz DZPUBKCUBWAEPC-YQVWRLOYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793466 967502451 /nfs/dbraw/zinc/50/24/51/967502451.db2.gz DZPUBKCUBWAEPC-YQVWRLOYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793466 967502462 /nfs/dbraw/zinc/50/24/62/967502462.db2.gz DZPUBKCUBWAEPC-YQVWRLOYSA-N 2 1 365.949 2.926 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650706445 967546391 /nfs/dbraw/zinc/54/63/91/967546391.db2.gz KUJFKYUQVRFOAF-OTWHNJEPSA-N 2 1 360.498 2.848 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650706443 967547370 /nfs/dbraw/zinc/54/73/70/967547370.db2.gz KUJFKYUQVRFOAF-GBESFXJTSA-N 2 1 360.498 2.848 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087725451 968760984 /nfs/dbraw/zinc/76/09/84/968760984.db2.gz PGUGYRBIUHJWLU-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087725451 968760991 /nfs/dbraw/zinc/76/09/91/968760991.db2.gz PGUGYRBIUHJWLU-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087725451 968760999 /nfs/dbraw/zinc/76/09/99/968760999.db2.gz PGUGYRBIUHJWLU-FFZOFVMBSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106487 972825476 /nfs/dbraw/zinc/82/54/76/972825476.db2.gz CWTKARQMMMUOMS-JTDSTZFVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106487 972825493 /nfs/dbraw/zinc/82/54/93/972825493.db2.gz CWTKARQMMMUOMS-JTDSTZFVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106487 972825504 /nfs/dbraw/zinc/82/55/04/972825504.db2.gz CWTKARQMMMUOMS-JTDSTZFVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106487 972825513 /nfs/dbraw/zinc/82/55/13/972825513.db2.gz CWTKARQMMMUOMS-JTDSTZFVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157679 973246952 /nfs/dbraw/zinc/24/69/52/973246952.db2.gz BCNRHGRITDFGMN-MSOLQXFVSA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157679 973246962 /nfs/dbraw/zinc/24/69/62/973246962.db2.gz BCNRHGRITDFGMN-MSOLQXFVSA-N 2 1 353.938 2.640 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000303989848 974175265 /nfs/dbraw/zinc/17/52/65/974175265.db2.gz XYMOEBFXVHPVTI-OAQYLSRUSA-N 3 1 371.573 2.807 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@@H]12 ZINC000990744510 976799178 /nfs/dbraw/zinc/79/91/78/976799178.db2.gz VBHNGDQQJSVYHD-YXTQBTIXSA-N 2 1 368.525 2.843 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087453406 977761733 /nfs/dbraw/zinc/76/17/33/977761733.db2.gz RFYZELNUAACNRJ-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087453406 977761741 /nfs/dbraw/zinc/76/17/41/977761741.db2.gz RFYZELNUAACNRJ-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087453406 977761749 /nfs/dbraw/zinc/76/17/49/977761749.db2.gz RFYZELNUAACNRJ-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087456611 977850551 /nfs/dbraw/zinc/85/05/51/977850551.db2.gz GNZRVIPGTIFSLA-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087456611 977850556 /nfs/dbraw/zinc/85/05/56/977850556.db2.gz GNZRVIPGTIFSLA-WOJBJXKFSA-N 2 1 370.472 2.881 20 30 FFEDMP CC#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029920131 979815739 /nfs/dbraw/zinc/81/57/39/979815739.db2.gz OTQPUIDOUIBDRV-CEMLEFRQSA-N 2 1 367.537 2.843 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029920131 979815747 /nfs/dbraw/zinc/81/57/47/979815747.db2.gz OTQPUIDOUIBDRV-CEMLEFRQSA-N 2 1 367.537 2.843 20 30 FFEDMP CC#CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920131 979815758 /nfs/dbraw/zinc/81/57/58/979815758.db2.gz OTQPUIDOUIBDRV-CEMLEFRQSA-N 2 1 367.537 2.843 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088693406 982797875 /nfs/dbraw/zinc/79/78/75/982797875.db2.gz YESDAYASIQOVJZ-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088693406 982797877 /nfs/dbraw/zinc/79/78/77/982797877.db2.gz YESDAYASIQOVJZ-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088693406 982797880 /nfs/dbraw/zinc/79/78/80/982797880.db2.gz YESDAYASIQOVJZ-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C[C@@H]1COCCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000878285846 1014965436 /nfs/dbraw/zinc/96/54/36/1014965436.db2.gz HPOBIRURVMFCJW-QZTJIDSGSA-N 2 1 357.498 2.780 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343322 984459380 /nfs/dbraw/zinc/45/93/80/984459380.db2.gz WHAQBSKWQCHRBJ-QKNQBKEWSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343322 984459382 /nfs/dbraw/zinc/45/93/82/984459382.db2.gz WHAQBSKWQCHRBJ-QKNQBKEWSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343322 984459384 /nfs/dbraw/zinc/45/93/84/984459384.db2.gz WHAQBSKWQCHRBJ-QKNQBKEWSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343322 984459387 /nfs/dbraw/zinc/45/93/87/984459387.db2.gz WHAQBSKWQCHRBJ-QKNQBKEWSA-N 2 1 365.562 2.648 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000157395424 984545435 /nfs/dbraw/zinc/54/54/35/984545435.db2.gz HBGSSGUURXBYEH-MRXNPFEDSA-N 2 1 360.502 2.943 20 30 FFEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997767280 985731090 /nfs/dbraw/zinc/73/10/90/985731090.db2.gz KFKIUPRFOLYPOS-WMQCIHAUSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435998 988149998 /nfs/dbraw/zinc/14/99/98/988149998.db2.gz XFHDOAIBWJKVDK-FGTMMUONSA-N 2 1 358.530 2.801 20 30 FFEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000922388865 988534791 /nfs/dbraw/zinc/53/47/91/988534791.db2.gz RWDLDPGCMFIGQZ-WEUUYRGXSA-N 2 1 357.498 2.547 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666721 988609995 /nfs/dbraw/zinc/60/99/95/988609995.db2.gz RNUXZTLQXFRUHU-DDUZABMNSA-N 2 1 359.917 2.636 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001106672911 988623089 /nfs/dbraw/zinc/62/30/89/988623089.db2.gz NGDZIVAGXIDFLT-YLJYHZDGSA-N 2 1 370.541 2.720 20 30 FFEDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620779 990005539 /nfs/dbraw/zinc/00/55/39/990005539.db2.gz AQTRECFDSZNTBN-XMSQKQJNSA-N 2 1 365.477 2.877 20 30 FFEDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620779 990005545 /nfs/dbraw/zinc/00/55/45/990005545.db2.gz AQTRECFDSZNTBN-XMSQKQJNSA-N 2 1 365.477 2.877 20 30 FFEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050068 992274462 /nfs/dbraw/zinc/27/44/62/992274462.db2.gz NEDYGXXGWWDJCR-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050068 992274466 /nfs/dbraw/zinc/27/44/66/992274466.db2.gz NEDYGXXGWWDJCR-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050068 992274476 /nfs/dbraw/zinc/27/44/76/992274476.db2.gz NEDYGXXGWWDJCR-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000995268179 992749989 /nfs/dbraw/zinc/74/99/89/992749989.db2.gz RQWLVZPZNYHELL-QHAWAJNXSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000995268179 992749994 /nfs/dbraw/zinc/74/99/94/992749994.db2.gz RQWLVZPZNYHELL-QHAWAJNXSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000995268179 992750003 /nfs/dbraw/zinc/75/00/03/992750003.db2.gz RQWLVZPZNYHELL-QHAWAJNXSA-N 2 1 370.541 2.648 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082612588 995089851 /nfs/dbraw/zinc/08/98/51/995089851.db2.gz VTESZUYGUHBNMR-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001082698682 995294046 /nfs/dbraw/zinc/29/40/46/995294046.db2.gz VCHAAZOLKNUECU-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082699708 995297102 /nfs/dbraw/zinc/29/71/02/995297102.db2.gz RVQSFDSMWNFUCW-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000730106007 996853878 /nfs/dbraw/zinc/85/38/78/996853878.db2.gz VEMXFEARDZTVNI-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000730106007 996853885 /nfs/dbraw/zinc/85/38/85/996853885.db2.gz VEMXFEARDZTVNI-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000730106007 996853896 /nfs/dbraw/zinc/85/38/96/996853896.db2.gz VEMXFEARDZTVNI-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000730106007 996853903 /nfs/dbraw/zinc/85/39/03/996853903.db2.gz VEMXFEARDZTVNI-RXVVDRJESA-N 2 1 353.510 2.632 20 30 FFEDMP C=C(C[NH+]1CCCC1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001206094570 1032141734 /nfs/dbraw/zinc/14/17/34/1032141734.db2.gz PQTVQMINCKEBDO-UHFFFAOYSA-N 2 1 354.454 2.678 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049126 998768544 /nfs/dbraw/zinc/76/85/44/998768544.db2.gz CNCAUDRNNPVLAN-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049126 998768549 /nfs/dbraw/zinc/76/85/49/998768549.db2.gz CNCAUDRNNPVLAN-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049126 998768552 /nfs/dbraw/zinc/76/85/52/998768552.db2.gz CNCAUDRNNPVLAN-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049126 998768557 /nfs/dbraw/zinc/76/85/57/998768557.db2.gz CNCAUDRNNPVLAN-KURKYZTESA-N 2 1 353.938 2.925 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC001085229647 999212114 /nfs/dbraw/zinc/21/21/14/999212114.db2.gz COADPYUDEQLYCH-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC001085229647 999212133 /nfs/dbraw/zinc/21/21/33/999212133.db2.gz COADPYUDEQLYCH-VSKRKVRLSA-N 2 1 367.537 2.918 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CC)cc1 ZINC001085230035 999216074 /nfs/dbraw/zinc/21/60/74/999216074.db2.gz XIKLWTBOXSGRDH-VSKRKVRLSA-N 2 1 367.537 2.864 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CC)cc1 ZINC001085230035 999216077 /nfs/dbraw/zinc/21/60/77/999216077.db2.gz XIKLWTBOXSGRDH-VSKRKVRLSA-N 2 1 367.537 2.864 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001000696213 1016437619 /nfs/dbraw/zinc/43/76/19/1016437619.db2.gz PEXIXIUHYIKZEG-FCHUYYIVSA-N 2 1 365.521 2.517 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CC#Cc3ccccc3)CC2)CC[N@@H+]1C ZINC001000696213 1016437625 /nfs/dbraw/zinc/43/76/25/1016437625.db2.gz PEXIXIUHYIKZEG-FCHUYYIVSA-N 2 1 365.521 2.517 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001000696213 1016437636 /nfs/dbraw/zinc/43/76/36/1016437636.db2.gz PEXIXIUHYIKZEG-FCHUYYIVSA-N 2 1 365.521 2.517 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001000696213 1016437648 /nfs/dbraw/zinc/43/76/48/1016437648.db2.gz PEXIXIUHYIKZEG-FCHUYYIVSA-N 2 1 365.521 2.517 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001000696213 1016437657 /nfs/dbraw/zinc/43/76/57/1016437657.db2.gz PEXIXIUHYIKZEG-FCHUYYIVSA-N 2 1 365.521 2.517 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013447 1002288304 /nfs/dbraw/zinc/28/83/04/1002288304.db2.gz QMYRJOVHXDBTMH-MNEFBYGVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013447 1002288315 /nfs/dbraw/zinc/28/83/15/1002288315.db2.gz QMYRJOVHXDBTMH-MNEFBYGVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013447 1002288324 /nfs/dbraw/zinc/28/83/24/1002288324.db2.gz QMYRJOVHXDBTMH-MNEFBYGVSA-N 2 1 371.928 2.732 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013447 1002288330 /nfs/dbraw/zinc/28/83/30/1002288330.db2.gz QMYRJOVHXDBTMH-MNEFBYGVSA-N 2 1 371.928 2.732 20 30 FFEDMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)C1 ZINC001183838402 1002405163 /nfs/dbraw/zinc/40/51/63/1002405163.db2.gz GUMBXPMUGUOVBW-GHTZIAJQSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588079 1002415188 /nfs/dbraw/zinc/41/51/88/1002415188.db2.gz CVOXGBHXVFBVRB-BHDDXSALSA-N 2 1 367.537 2.879 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1c1ccccc1 ZINC001086593180 1002549215 /nfs/dbraw/zinc/54/92/15/1002549215.db2.gz HEWNBQHOYKXPNZ-BDTNDASRSA-N 2 1 365.521 2.634 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086606222 1002945760 /nfs/dbraw/zinc/94/57/60/1002945760.db2.gz RVNYQQVIRPOGBP-HLAWJBBLSA-N 2 1 364.493 2.524 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086606222 1002945769 /nfs/dbraw/zinc/94/57/69/1002945769.db2.gz RVNYQQVIRPOGBP-HLAWJBBLSA-N 2 1 364.493 2.524 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2c2ccccc2)CC1 ZINC001086625025 1003762638 /nfs/dbraw/zinc/76/26/38/1003762638.db2.gz HDRHZDRKQSKPLF-FCHUYYIVSA-N 2 1 367.537 2.572 20 30 FFEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197208596 1004122278 /nfs/dbraw/zinc/12/22/78/1004122278.db2.gz DGFATYUZWYIECY-RTWAWAEBSA-N 2 1 355.526 2.832 20 30 FFEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197208596 1004122282 /nfs/dbraw/zinc/12/22/82/1004122282.db2.gz DGFATYUZWYIECY-RTWAWAEBSA-N 2 1 355.526 2.832 20 30 FFEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197208596 1004122287 /nfs/dbraw/zinc/12/22/87/1004122287.db2.gz DGFATYUZWYIECY-RTWAWAEBSA-N 2 1 355.526 2.832 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001197657446 1004304910 /nfs/dbraw/zinc/30/49/10/1004304910.db2.gz HYYXZSJCDXCVPP-HSALFYBXSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197657446 1004304919 /nfs/dbraw/zinc/30/49/19/1004304919.db2.gz HYYXZSJCDXCVPP-HSALFYBXSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001197657446 1004304925 /nfs/dbraw/zinc/30/49/25/1004304925.db2.gz HYYXZSJCDXCVPP-HSALFYBXSA-N 2 1 367.578 2.773 20 30 FFEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742288 1004720027 /nfs/dbraw/zinc/72/00/27/1004720027.db2.gz OOBLDBKIXPVVRZ-LMMKCTJWSA-N 2 1 359.514 2.749 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852686760 1006139764 /nfs/dbraw/zinc/13/97/64/1006139764.db2.gz LBGNRBAHLKVCPT-OYRHEFFESA-N 2 1 368.525 2.950 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086720606 1006264084 /nfs/dbraw/zinc/26/40/84/1006264084.db2.gz FPSGLVCYUXJVSK-HBMCJLEFSA-N 2 1 359.558 2.929 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086720606 1006264094 /nfs/dbraw/zinc/26/40/94/1006264094.db2.gz FPSGLVCYUXJVSK-HBMCJLEFSA-N 2 1 359.558 2.929 20 30 FFEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110684747 1006812233 /nfs/dbraw/zinc/81/22/33/1006812233.db2.gz WUQCUSGWXKQUMK-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110684747 1006812251 /nfs/dbraw/zinc/81/22/51/1006812251.db2.gz WUQCUSGWXKQUMK-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110684747 1006812267 /nfs/dbraw/zinc/81/22/67/1006812267.db2.gz WUQCUSGWXKQUMK-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110684747 1006812280 /nfs/dbraw/zinc/81/22/80/1006812280.db2.gz WUQCUSGWXKQUMK-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000134126308 1007352583 /nfs/dbraw/zinc/35/25/83/1007352583.db2.gz XHCDZIWDFYMPEK-OAHLLOKOSA-N 2 1 372.435 2.967 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110736931 1008215838 /nfs/dbraw/zinc/21/58/38/1008215838.db2.gz SRUJQWFCECIBRR-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110736931 1008215850 /nfs/dbraw/zinc/21/58/50/1008215850.db2.gz SRUJQWFCECIBRR-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110736931 1008215858 /nfs/dbraw/zinc/21/58/58/1008215858.db2.gz SRUJQWFCECIBRR-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110736931 1008215864 /nfs/dbraw/zinc/21/58/64/1008215864.db2.gz SRUJQWFCECIBRR-QRVBRYPASA-N 2 1 354.498 2.510 20 30 FFEDMP CN(C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1(C#N)CCCCC1 ZINC000859215062 1008488182 /nfs/dbraw/zinc/48/81/82/1008488182.db2.gz XVEDFCSMUFWAFU-UHFFFAOYSA-N 2 1 356.514 2.865 20 30 FFEDMP CN(C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1(C#N)CCCCC1 ZINC000859215062 1008488184 /nfs/dbraw/zinc/48/81/84/1008488184.db2.gz XVEDFCSMUFWAFU-UHFFFAOYSA-N 2 1 356.514 2.865 20 30 FFEDMP N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648615 1008792170 /nfs/dbraw/zinc/79/21/70/1008792170.db2.gz ZBRQHDJDPXDEOT-HBMCJLEFSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648615 1008792181 /nfs/dbraw/zinc/79/21/81/1008792181.db2.gz ZBRQHDJDPXDEOT-HBMCJLEFSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648615 1008792193 /nfs/dbraw/zinc/79/21/93/1008792193.db2.gz ZBRQHDJDPXDEOT-HBMCJLEFSA-N 2 1 353.510 2.885 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110796271 1009318391 /nfs/dbraw/zinc/31/83/91/1009318391.db2.gz CAWZZHBCGFJXSC-QRQLOZEOSA-N 2 1 351.454 2.569 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869193 1009496459 /nfs/dbraw/zinc/49/64/59/1009496459.db2.gz WXLRMLWIJSZUSE-IEBWSBKVSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869193 1009496470 /nfs/dbraw/zinc/49/64/70/1009496470.db2.gz WXLRMLWIJSZUSE-IEBWSBKVSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869193 1009496487 /nfs/dbraw/zinc/49/64/87/1009496487.db2.gz WXLRMLWIJSZUSE-IEBWSBKVSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869193 1009496494 /nfs/dbraw/zinc/49/64/94/1009496494.db2.gz WXLRMLWIJSZUSE-IEBWSBKVSA-N 2 1 355.482 2.894 20 30 FFEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104181577 1009933968 /nfs/dbraw/zinc/93/39/68/1009933968.db2.gz ILEUZEMAODOLGI-KRWDZBQOSA-N 2 1 362.518 2.763 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000104183250 1009934354 /nfs/dbraw/zinc/93/43/54/1009934354.db2.gz SVTYBNCLHZTRBI-KRWDZBQOSA-N 2 1 371.460 2.902 20 30 FFEDMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCCC1 ZINC000714217623 1010157828 /nfs/dbraw/zinc/15/78/28/1010157828.db2.gz NBVWYYLTIHAEAB-IBGZPJMESA-N 2 1 356.514 2.959 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2C)CC1 ZINC001093221767 1010164324 /nfs/dbraw/zinc/16/43/24/1010164324.db2.gz CYYUZISJEMCMBP-DENIHFKCSA-N 2 1 367.537 2.524 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001093833187 1010603914 /nfs/dbraw/zinc/60/39/14/1010603914.db2.gz XBXRHCFNSUJMGC-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001093833187 1010603924 /nfs/dbraw/zinc/60/39/24/1010603924.db2.gz XBXRHCFNSUJMGC-NRSPTQNISA-N 2 1 371.569 2.739 20 30 FFEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1C#N)CC2 ZINC001094380613 1011086792 /nfs/dbraw/zinc/08/67/92/1011086792.db2.gz UODRRLVPKBVXHL-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001094380613 1011086796 /nfs/dbraw/zinc/08/67/96/1011086796.db2.gz UODRRLVPKBVXHL-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001094380613 1011086800 /nfs/dbraw/zinc/08/68/00/1011086800.db2.gz UODRRLVPKBVXHL-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001172495511 1011851139 /nfs/dbraw/zinc/85/11/39/1011851139.db2.gz QSZDAUPCTIJTLY-RNQOJCNYSA-N 2 1 356.518 2.535 20 30 FFEDMP C[C@@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001172495511 1011851147 /nfs/dbraw/zinc/85/11/47/1011851147.db2.gz QSZDAUPCTIJTLY-RNQOJCNYSA-N 2 1 356.518 2.535 20 30 FFEDMP C[C@@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001172495511 1011851162 /nfs/dbraw/zinc/85/11/62/1011851162.db2.gz QSZDAUPCTIJTLY-RNQOJCNYSA-N 2 1 356.518 2.535 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001275281955 1012203700 /nfs/dbraw/zinc/20/37/00/1012203700.db2.gz KICICQDQFCVSSY-JYRKZWEQSA-N 2 1 365.562 2.573 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000303871424 1012475344 /nfs/dbraw/zinc/47/53/44/1012475344.db2.gz BQIMHEBLPCOUHM-OKZBNKHCSA-N 2 1 358.530 2.842 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000303974669 1012548695 /nfs/dbraw/zinc/54/86/95/1012548695.db2.gz IELAPKLWMYLCCH-KRWDZBQOSA-N 2 1 371.460 2.902 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001222043848 1032694764 /nfs/dbraw/zinc/69/47/64/1032694764.db2.gz FCRZJCLVYXQHLC-RWNOFTCYSA-N 2 1 357.542 2.611 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001097718819 1017839259 /nfs/dbraw/zinc/83/92/59/1017839259.db2.gz RNFUXSSAMMAGKA-FSIJUFHLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001097718819 1017839287 /nfs/dbraw/zinc/83/92/87/1017839287.db2.gz RNFUXSSAMMAGKA-FSIJUFHLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001097718819 1017839305 /nfs/dbraw/zinc/83/93/05/1017839305.db2.gz RNFUXSSAMMAGKA-FSIJUFHLSA-N 2 1 366.509 2.510 20 30 FFEDMP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047242027 1019054427 /nfs/dbraw/zinc/05/44/27/1019054427.db2.gz QOQBSSDVWHGRLP-PCCBWWKXSA-N 2 1 359.558 2.691 20 30 FFEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001111023660 1020693011 /nfs/dbraw/zinc/69/30/11/1020693011.db2.gz VLTXUFYYIJHRGD-PDOICOKGSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023660 1020693017 /nfs/dbraw/zinc/69/30/17/1020693017.db2.gz VLTXUFYYIJHRGD-PDOICOKGSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001111023660 1020693020 /nfs/dbraw/zinc/69/30/20/1020693020.db2.gz VLTXUFYYIJHRGD-PDOICOKGSA-N 2 1 351.510 2.887 20 30 FFEDMP C=CCOCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001099079829 1021732564 /nfs/dbraw/zinc/73/25/64/1021732564.db2.gz JRHRSFZEZPJWED-GBESFXJTSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099079829 1021732570 /nfs/dbraw/zinc/73/25/70/1021732570.db2.gz JRHRSFZEZPJWED-GBESFXJTSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099079829 1021732582 /nfs/dbraw/zinc/73/25/82/1021732582.db2.gz JRHRSFZEZPJWED-GBESFXJTSA-N 2 1 365.562 2.526 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345460 1022336852 /nfs/dbraw/zinc/33/68/52/1022336852.db2.gz AYKAQQPNVNBPTA-MCIONIFRSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001099345460 1022336866 /nfs/dbraw/zinc/33/68/66/1022336866.db2.gz AYKAQQPNVNBPTA-MCIONIFRSA-N 2 1 367.843 2.592 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143083 1023277504 /nfs/dbraw/zinc/27/75/04/1023277504.db2.gz GZFVHASUKYNTMP-JBACZVJFSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143083 1023277508 /nfs/dbraw/zinc/27/75/08/1023277508.db2.gz GZFVHASUKYNTMP-JBACZVJFSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000753143083 1023277514 /nfs/dbraw/zinc/27/75/14/1023277514.db2.gz GZFVHASUKYNTMP-JBACZVJFSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000753143083 1023277521 /nfs/dbraw/zinc/27/75/21/1023277521.db2.gz GZFVHASUKYNTMP-JBACZVJFSA-N 2 1 353.510 2.501 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286044 1024332129 /nfs/dbraw/zinc/33/21/29/1024332129.db2.gz HAOMGGVRHJIPLY-NQIIRXRSSA-N 2 1 356.514 2.654 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376877 1025841714 /nfs/dbraw/zinc/84/17/14/1025841714.db2.gz AESMSRPZPMCZAG-VQIMIIECSA-N 2 1 363.933 2.598 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376877 1025841736 /nfs/dbraw/zinc/84/17/36/1025841736.db2.gz AESMSRPZPMCZAG-VQIMIIECSA-N 2 1 363.933 2.598 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001102376877 1025841763 /nfs/dbraw/zinc/84/17/63/1025841763.db2.gz AESMSRPZPMCZAG-VQIMIIECSA-N 2 1 363.933 2.598 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001103156439 1027011167 /nfs/dbraw/zinc/01/11/67/1027011167.db2.gz DDVWDEXFXDQMDP-IEBWSBKVSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103156439 1027011173 /nfs/dbraw/zinc/01/11/73/1027011173.db2.gz DDVWDEXFXDQMDP-IEBWSBKVSA-N 2 1 370.541 2.863 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103156439 1027011176 /nfs/dbraw/zinc/01/11/76/1027011176.db2.gz DDVWDEXFXDQMDP-IEBWSBKVSA-N 2 1 370.541 2.863 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103219280 1027070844 /nfs/dbraw/zinc/07/08/44/1027070844.db2.gz ZPHDSVVLTMNXHY-QZTJIDSGSA-N 2 1 367.497 2.921 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000092665057 1027395028 /nfs/dbraw/zinc/39/50/28/1027395028.db2.gz IZJSJOHHQCXGPX-ZCNNSNEGSA-N 2 1 370.541 2.968 20 30 FFEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000092665057 1027395045 /nfs/dbraw/zinc/39/50/45/1027395045.db2.gz IZJSJOHHQCXGPX-ZCNNSNEGSA-N 2 1 370.541 2.968 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537105 1027652939 /nfs/dbraw/zinc/65/29/39/1027652939.db2.gz SKAPSDVIVKVLLL-WOJBJXKFSA-N 2 1 367.578 2.753 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537105 1027652944 /nfs/dbraw/zinc/65/29/44/1027652944.db2.gz SKAPSDVIVKVLLL-WOJBJXKFSA-N 2 1 367.578 2.753 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCCCCF)C[C@H]2C)CC1 ZINC001103751714 1028138399 /nfs/dbraw/zinc/13/83/99/1028138399.db2.gz NDVXJVINGXAVHB-UYAOXDASSA-N 2 1 365.537 2.546 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103754588 1028142050 /nfs/dbraw/zinc/14/20/50/1028142050.db2.gz MFUCUBNFYCZBMD-HZPDHXFCSA-N 2 1 362.543 2.534 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103754588 1028142060 /nfs/dbraw/zinc/14/20/60/1028142060.db2.gz MFUCUBNFYCZBMD-HZPDHXFCSA-N 2 1 362.543 2.534 20 30 FFEDMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103754588 1028142067 /nfs/dbraw/zinc/14/20/67/1028142067.db2.gz MFUCUBNFYCZBMD-HZPDHXFCSA-N 2 1 362.543 2.534 20 30 FFEDMP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817361 1028670126 /nfs/dbraw/zinc/67/01/26/1028670126.db2.gz URTGCSQLAQEMPJ-TZIWHRDSSA-N 2 1 357.542 2.954 20 30 FFEDMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2)C1CCC1 ZINC001111779086 1029431101 /nfs/dbraw/zinc/43/11/01/1029431101.db2.gz SRFJDAMIHUVVTL-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2)C1CCC1 ZINC001111779086 1029431103 /nfs/dbraw/zinc/43/11/03/1029431103.db2.gz SRFJDAMIHUVVTL-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2)C1CCC1 ZINC001111779086 1029431114 /nfs/dbraw/zinc/43/11/14/1029431114.db2.gz SRFJDAMIHUVVTL-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2)C1CCC1 ZINC001111779086 1029431120 /nfs/dbraw/zinc/43/11/20/1029431120.db2.gz SRFJDAMIHUVVTL-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001111870708 1029650527 /nfs/dbraw/zinc/65/05/27/1029650527.db2.gz KNVJFDWZHAGGEH-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001111870708 1029650532 /nfs/dbraw/zinc/65/05/32/1029650532.db2.gz KNVJFDWZHAGGEH-LQWHRVPQSA-N 2 1 356.514 2.691 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001112150948 1030104566 /nfs/dbraw/zinc/10/45/66/1030104566.db2.gz SXCJAEHOOPRTRK-BZUAXINKSA-N 2 1 361.452 2.663 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112213262 1030255233 /nfs/dbraw/zinc/25/52/33/1030255233.db2.gz HXAJWPOOZHLYEO-ZACQAIPSSA-N 2 1 369.431 2.844 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001112355861 1030639550 /nfs/dbraw/zinc/63/95/50/1030639550.db2.gz UZZUNJVDLNSHDJ-JTAQYXEDSA-N 2 1 371.569 2.883 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205269918 1031641513 /nfs/dbraw/zinc/64/15/13/1031641513.db2.gz HPOFENZDNDOXMT-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC001220926204 1034463462 /nfs/dbraw/zinc/46/34/62/1034463462.db2.gz AZODKYJIRAHMPE-OALUTQOASA-N 2 1 359.514 2.850 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001226334516 1034633575 /nfs/dbraw/zinc/63/35/75/1034633575.db2.gz UUEYRHJJNNWEEW-DXBBTUNJSA-N 2 1 367.537 2.785 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001221807848 1035084377 /nfs/dbraw/zinc/08/43/77/1035084377.db2.gz DVLUGAMISPMICK-CTNGQTDRSA-N 2 1 368.525 2.553 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001228611408 1036206237 /nfs/dbraw/zinc/20/62/37/1036206237.db2.gz XKODXPCQFHIXBP-QZTJIDSGSA-N 2 1 360.502 2.867 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001230284782 1037196724 /nfs/dbraw/zinc/19/67/24/1037196724.db2.gz UYLWZDMWYRUCDN-RTBURBONSA-N 2 1 360.477 2.555 20 30 FFEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(-n2ccnc2)cc1Cl ZINC001277904689 1037226451 /nfs/dbraw/zinc/22/64/51/1037226451.db2.gz CEQNOOZFYVIBCB-RTBURBONSA-N 2 1 368.868 2.724 20 30 FFEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001235523430 1037609135 /nfs/dbraw/zinc/60/91/35/1037609135.db2.gz WHXBKSXXZOJFHM-FGZHOGPDSA-N 2 1 356.510 2.906 20 30 FFEDMP C=CCOC[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001208107568 1038042783 /nfs/dbraw/zinc/04/27/83/1038042783.db2.gz PTBIGQDBBKATTE-SFHVURJKSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)Cc2nnn(CC3CC3)c21 ZINC001208107568 1038042801 /nfs/dbraw/zinc/04/28/01/1038042801.db2.gz PTBIGQDBBKATTE-SFHVURJKSA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676384 1038482463 /nfs/dbraw/zinc/48/24/63/1038482463.db2.gz PDYRGHHAPSVVBK-SVFBPWRDSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676384 1038482467 /nfs/dbraw/zinc/48/24/67/1038482467.db2.gz PDYRGHHAPSVVBK-SVFBPWRDSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676384 1038482469 /nfs/dbraw/zinc/48/24/69/1038482469.db2.gz PDYRGHHAPSVVBK-SVFBPWRDSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676384 1038482475 /nfs/dbraw/zinc/48/24/75/1038482475.db2.gz PDYRGHHAPSVVBK-SVFBPWRDSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246302106 1039304382 /nfs/dbraw/zinc/30/43/82/1039304382.db2.gz AJASEVQZSCWBEW-YJBOKZPZSA-N 2 1 352.425 2.639 20 30 FFEDMP C#CCCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132115 1041164692 /nfs/dbraw/zinc/16/46/92/1041164692.db2.gz RQSYZRWOQWINSA-YUMYIRISSA-N 2 1 365.521 2.786 20 30 FFEDMP C#CCCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132115 1041164698 /nfs/dbraw/zinc/16/46/98/1041164698.db2.gz RQSYZRWOQWINSA-YUMYIRISSA-N 2 1 365.521 2.786 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001264067404 1042610696 /nfs/dbraw/zinc/61/06/96/1042610696.db2.gz BTIDKLQPDITJAX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001264067404 1042610698 /nfs/dbraw/zinc/61/06/98/1042610698.db2.gz BTIDKLQPDITJAX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001264067404 1042610700 /nfs/dbraw/zinc/61/07/00/1042610700.db2.gz BTIDKLQPDITJAX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001279371765 1043033379 /nfs/dbraw/zinc/03/33/79/1043033379.db2.gz CAPMPSWNVIBQQT-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279869976 1043804255 /nfs/dbraw/zinc/80/42/55/1043804255.db2.gz SZAXIIRJWHMVLI-JOCHJYFZSA-N 2 1 354.542 2.970 20 30 FFEDMP O=C(NC1(C[NH2+]CC#Cc2ccccc2)CCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001318637859 1044782515 /nfs/dbraw/zinc/78/25/15/1044782515.db2.gz ZPERZSXRARLXJV-RTBURBONSA-N 2 1 362.477 2.584 20 30 FFEDMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582794 1070939655 /nfs/dbraw/zinc/93/96/55/1070939655.db2.gz XQHNWRPVWPWLQK-SFTDATJTSA-N 2 1 368.525 2.713 20 30 FFEDMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001540582794 1070939664 /nfs/dbraw/zinc/93/96/64/1070939664.db2.gz XQHNWRPVWPWLQK-SFTDATJTSA-N 2 1 368.525 2.713 20 30 FFEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001329255693 1048638223 /nfs/dbraw/zinc/63/82/23/1048638223.db2.gz LBTNALHPQHCMIG-XABBQPORSA-N 2 1 367.537 2.714 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340568385 1050954401 /nfs/dbraw/zinc/95/44/01/1050954401.db2.gz RLVMHHMEJBCMBB-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001334860490 1053121808 /nfs/dbraw/zinc/12/18/08/1053121808.db2.gz YQPCGRKEAYFOGX-HKBOAZHASA-N 2 1 355.526 2.911 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC001336784174 1054224092 /nfs/dbraw/zinc/22/40/92/1054224092.db2.gz DDPZYMVVXHILMD-QGZVFWFLSA-N 2 1 351.288 2.560 20 30 FFEDMP C#CCOc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000847473586 1055870294 /nfs/dbraw/zinc/87/02/94/1055870294.db2.gz JNUTWSJFXZQLPN-UHFFFAOYSA-N 2 1 369.509 2.833 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC001353316616 1056291544 /nfs/dbraw/zinc/29/15/44/1056291544.db2.gz PLSAHPFTKHCKIO-QGZVFWFLSA-N 2 1 370.415 2.522 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC001359264300 1056959318 /nfs/dbraw/zinc/95/93/18/1056959318.db2.gz AUGMVQOCDIIVCV-AZUAARDMSA-N 2 1 374.577 2.816 20 30 FFEDMP C=C(C)Cn1c(CN2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001355966833 1060769116 /nfs/dbraw/zinc/76/91/16/1060769116.db2.gz CTZPLCFWNZKOSK-UHFFFAOYSA-N 2 1 372.561 2.905 20 30 FFEDMP C=CCN(c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC001574935223 1078094783 /nfs/dbraw/zinc/09/47/83/1078094783.db2.gz DARSESPCPKNCII-KURKYZTESA-N 2 1 372.561 2.758 20 30 FFEDMP N#Cc1cccc([C@@H](O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC001473459256 1065269136 /nfs/dbraw/zinc/26/91/36/1065269136.db2.gz RGZVTYXBPXGHMK-QFIPXVFZSA-N 2 1 358.445 2.962 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001566787148 1076982368 /nfs/dbraw/zinc/98/23/68/1076982368.db2.gz RLFSFRHOYWWROJ-QHAWAJNXSA-N 2 1 355.526 2.911 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001568551918 1077100810 /nfs/dbraw/zinc/10/08/10/1077100810.db2.gz YDBCHQWKRNKMRP-OALUTQOASA-N 2 1 373.541 2.876 20 30 FFEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001568551918 1077100813 /nfs/dbraw/zinc/10/08/13/1077100813.db2.gz YDBCHQWKRNKMRP-OALUTQOASA-N 2 1 373.541 2.876 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000108709711 507913283 /nfs/dbraw/zinc/91/32/83/507913283.db2.gz NOUIKOGIBUYGRJ-LJQANCHMSA-N 2 1 367.537 2.880 20 30 FFEDMP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199282 508299413 /nfs/dbraw/zinc/29/94/13/508299413.db2.gz FLOHFYFOEYGCEM-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199282 508299415 /nfs/dbraw/zinc/29/94/15/508299415.db2.gz FLOHFYFOEYGCEM-AWEZNQCLSA-N 2 1 360.527 2.711 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000077582106 508337331 /nfs/dbraw/zinc/33/73/31/508337331.db2.gz JOJRLECYNJUWPC-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000132388766 509025331 /nfs/dbraw/zinc/02/53/31/509025331.db2.gz NJXFWQNKJFFMQI-UGKGYDQZSA-N 2 1 367.537 2.843 20 30 FFEDMP C[N@@H+](CCOc1cccc(CNC(=[NH2+])NC2CCCC2)c1)C1CCOCC1 ZINC000264262957 509420209 /nfs/dbraw/zinc/42/02/09/509420209.db2.gz JTNPBTWWGCIRPC-UHFFFAOYSA-N 2 1 374.529 2.523 20 30 FFEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000192727161 509617065 /nfs/dbraw/zinc/61/70/65/509617065.db2.gz SZXYVVBVYGNYTG-UHFFFAOYSA-N 2 1 360.502 2.999 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000171721339 510330738 /nfs/dbraw/zinc/33/07/38/510330738.db2.gz GETXQNKCXUBBTR-ROUUACIJSA-N 2 1 371.525 2.676 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184746565 510497175 /nfs/dbraw/zinc/49/71/75/510497175.db2.gz ZXTZTCHKVUIABH-AGQFNQOXSA-N 2 1 370.541 2.741 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184746565 510497179 /nfs/dbraw/zinc/49/71/79/510497179.db2.gz ZXTZTCHKVUIABH-AGQFNQOXSA-N 2 1 370.541 2.741 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000266611869 510687171 /nfs/dbraw/zinc/68/71/71/510687171.db2.gz BRDDTQCHAYMSMY-SFHVURJKSA-N 2 1 369.509 2.691 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC000286460287 511025311 /nfs/dbraw/zinc/02/53/11/511025311.db2.gz OMOZVXUSCVTCHY-FQEVSTJZSA-N 2 1 365.477 2.572 20 30 FFEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279449862 511086726 /nfs/dbraw/zinc/08/67/26/511086726.db2.gz SNZFMGBMTBZSNA-UXHICEINSA-N 2 1 364.497 2.917 20 30 FFEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279449862 511086730 /nfs/dbraw/zinc/08/67/30/511086730.db2.gz SNZFMGBMTBZSNA-UXHICEINSA-N 2 1 364.497 2.917 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274788836 511942208 /nfs/dbraw/zinc/94/22/08/511942208.db2.gz BOLMWCYEESOLGH-LMNJBCLMSA-N 2 1 356.514 2.541 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274788836 511942211 /nfs/dbraw/zinc/94/22/11/511942211.db2.gz BOLMWCYEESOLGH-LMNJBCLMSA-N 2 1 356.514 2.541 20 30 FFEDMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413264458 513556891 /nfs/dbraw/zinc/55/68/91/513556891.db2.gz MIBCZOMYMYIAMN-FGTMMUONSA-N 2 1 356.514 2.710 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682134 513656292 /nfs/dbraw/zinc/65/62/92/513656292.db2.gz MRGLBXWHEQWYSV-SFHVURJKSA-N 2 1 359.539 2.893 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682134 513656301 /nfs/dbraw/zinc/65/63/01/513656301.db2.gz MRGLBXWHEQWYSV-SFHVURJKSA-N 2 1 359.539 2.893 20 30 FFEDMP C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000414537566 514168252 /nfs/dbraw/zinc/16/82/52/514168252.db2.gz PJLOOJNMAHBQGZ-HXUWFJFHSA-N 2 1 351.498 2.505 20 30 FFEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424166006 514404937 /nfs/dbraw/zinc/40/49/37/514404937.db2.gz FTVFSZAMRLYCKV-BZSNNMDCSA-N 2 1 364.440 2.626 20 30 FFEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424166006 514404940 /nfs/dbraw/zinc/40/49/40/514404940.db2.gz FTVFSZAMRLYCKV-BZSNNMDCSA-N 2 1 364.440 2.626 20 30 FFEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000420984873 514423259 /nfs/dbraw/zinc/42/32/59/514423259.db2.gz UZIUCSFAHVVPFR-UHFFFAOYSA-N 2 1 370.541 2.819 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000415133360 514460873 /nfs/dbraw/zinc/46/08/73/514460873.db2.gz VCOBIHXNYJXMJX-INIZCTEOSA-N 2 1 361.877 2.792 20 30 FFEDMP CCC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433333409 514462089 /nfs/dbraw/zinc/46/20/89/514462089.db2.gz GYMOGYNUVQVESF-UHFFFAOYSA-N 2 1 352.486 2.823 20 30 FFEDMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473362329 515588617 /nfs/dbraw/zinc/58/86/17/515588617.db2.gz WNHPYBBLAAOQPD-FQEVSTJZSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473362329 515588627 /nfs/dbraw/zinc/58/86/27/515588627.db2.gz WNHPYBBLAAOQPD-FQEVSTJZSA-N 2 1 356.514 2.759 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531720604 516609316 /nfs/dbraw/zinc/60/93/16/516609316.db2.gz YHOTZZBIOUMVRP-OAHLLOKOSA-N 2 1 360.458 2.942 20 30 FFEDMP C=CCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000558422986 516733151 /nfs/dbraw/zinc/73/31/51/516733151.db2.gz ZOXXGIPMQMAHLQ-UHFFFAOYSA-N 2 1 351.922 2.974 20 30 FFEDMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000516215114 517621146 /nfs/dbraw/zinc/62/11/46/517621146.db2.gz HDKRHEDJQSLBNE-KDURUIRLSA-N 2 1 371.525 2.957 20 30 FFEDMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000516215114 517621151 /nfs/dbraw/zinc/62/11/51/517621151.db2.gz HDKRHEDJQSLBNE-KDURUIRLSA-N 2 1 371.525 2.957 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000557485329 518029265 /nfs/dbraw/zinc/02/92/65/518029265.db2.gz GRWCWZUZMYWXCJ-QGZVFWFLSA-N 2 1 368.525 2.932 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000565207642 518844375 /nfs/dbraw/zinc/84/43/75/518844375.db2.gz GLOHMPDUTOPOLI-UHFFFAOYSA-N 2 1 354.498 2.887 20 30 FFEDMP COc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C#N ZINC000577580090 519147041 /nfs/dbraw/zinc/14/70/41/519147041.db2.gz OYTZUCRZVNJJSD-OAQYLSRUSA-N 2 1 364.493 2.645 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597941547 520341166 /nfs/dbraw/zinc/34/11/66/520341166.db2.gz BQLNLSLGOXLDCA-LBPRGKRZSA-N 2 1 371.312 2.867 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597941547 520341174 /nfs/dbraw/zinc/34/11/74/520341174.db2.gz BQLNLSLGOXLDCA-LBPRGKRZSA-N 2 1 371.312 2.867 20 30 FFEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000609561192 520358616 /nfs/dbraw/zinc/35/86/16/520358616.db2.gz PXXIXVHPHZLXFY-CYBMUJFWSA-N 2 1 360.527 2.709 20 30 FFEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600717618 520417949 /nfs/dbraw/zinc/41/79/49/520417949.db2.gz ROGFFDHHIPGYOM-OAQYLSRUSA-N 2 1 371.525 2.620 20 30 FFEDMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611973 520593285 /nfs/dbraw/zinc/59/32/85/520593285.db2.gz QVAWGVDQIKUEQM-FQEVSTJZSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611973 520593292 /nfs/dbraw/zinc/59/32/92/520593292.db2.gz QVAWGVDQIKUEQM-FQEVSTJZSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611973 520593295 /nfs/dbraw/zinc/59/32/95/520593295.db2.gz QVAWGVDQIKUEQM-FQEVSTJZSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595611973 520593302 /nfs/dbraw/zinc/59/33/02/520593302.db2.gz QVAWGVDQIKUEQM-FQEVSTJZSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@H]2CC[NH+](C3CC3)C2)n1 ZINC000596090394 520906357 /nfs/dbraw/zinc/90/63/57/520906357.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000596090394 520906365 /nfs/dbraw/zinc/90/63/65/520906365.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000596090394 520906374 /nfs/dbraw/zinc/90/63/74/520906374.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 2 1 366.513 2.559 20 30 FFEDMP N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000602048320 521102071 /nfs/dbraw/zinc/10/20/71/521102071.db2.gz WQCNSMDPWZCKLF-OAQYLSRUSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000602048320 521102074 /nfs/dbraw/zinc/10/20/74/521102074.db2.gz WQCNSMDPWZCKLF-OAQYLSRUSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000602048320 521102081 /nfs/dbraw/zinc/10/20/81/521102081.db2.gz WQCNSMDPWZCKLF-OAQYLSRUSA-N 2 1 366.509 2.609 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[NH+]3C3CCCC3)CC2)cc1 ZINC000602048320 521102092 /nfs/dbraw/zinc/10/20/92/521102092.db2.gz WQCNSMDPWZCKLF-OAQYLSRUSA-N 2 1 366.509 2.609 20 30 FFEDMP C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302698 521137001 /nfs/dbraw/zinc/13/70/01/521137001.db2.gz JCZOHTIORUUIGO-RTWAWAEBSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302698 521137010 /nfs/dbraw/zinc/13/70/10/521137010.db2.gz JCZOHTIORUUIGO-RTWAWAEBSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302698 521137018 /nfs/dbraw/zinc/13/70/18/521137018.db2.gz JCZOHTIORUUIGO-RTWAWAEBSA-N 2 1 371.525 2.512 20 30 FFEDMP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602536000 521400193 /nfs/dbraw/zinc/40/01/93/521400193.db2.gz VDNBFYRFEKMGEN-VQTJNVASSA-N 2 1 356.514 2.767 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614129 522822463 /nfs/dbraw/zinc/82/24/63/522822463.db2.gz KQPTZDRPEJEXQN-MOPGFXCFSA-N 2 1 350.551 2.716 20 30 FFEDMP C=CC[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000625702106 523632167 /nfs/dbraw/zinc/63/21/67/523632167.db2.gz CUZUHATTYZJVMB-LJQANCHMSA-N 2 1 355.526 2.974 20 30 FFEDMP CCCCCCCCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000122609504 728649465 /nfs/dbraw/zinc/64/94/65/728649465.db2.gz OURBHZXTCJEVJW-UHFFFAOYSA-N 2 1 352.523 2.643 20 30 FFEDMP CCCCCCCCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000122609504 728649467 /nfs/dbraw/zinc/64/94/67/728649467.db2.gz OURBHZXTCJEVJW-UHFFFAOYSA-N 2 1 352.523 2.643 20 30 FFEDMP C[NH+]=C(NCc1cc(Br)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262021424 729657639 /nfs/dbraw/zinc/65/76/39/729657639.db2.gz YWPLJRDRLIIHMH-QMTHXVAHSA-N 2 1 371.348 2.658 20 30 FFEDMP C[NH+]=C(NCc1c[nH]nc1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262457893 729666767 /nfs/dbraw/zinc/66/67/67/729666767.db2.gz VMPBTHQCAJUVSE-WMLDXEAASA-N 2 1 360.531 2.528 20 30 FFEDMP CCCCNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303892777 729735460 /nfs/dbraw/zinc/73/54/60/729735460.db2.gz RLYOUIUNMAVMBQ-UHFFFAOYSA-N 2 1 351.926 2.557 20 30 FFEDMP CCOCCCNC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303900246 729735860 /nfs/dbraw/zinc/73/58/60/729735860.db2.gz SDQGBJNDRHPSDZ-QGZVFWFLSA-N 2 1 352.910 2.808 20 30 FFEDMP Cc1cc(N2CCC([NH2+]Cc3cc(C#N)cnc3Cl)CC2)nc(C)[nH+]1 ZINC000877156054 732329439 /nfs/dbraw/zinc/32/94/39/732329439.db2.gz OICWQOBHWIUTCV-UHFFFAOYSA-N 2 1 356.861 2.772 20 30 FFEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880262478 732875079 /nfs/dbraw/zinc/87/50/79/732875079.db2.gz MSUQALPXFODNOO-AWEZNQCLSA-N 2 1 355.467 2.554 20 30 FFEDMP CSc1nc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccc1C#N ZINC001141929435 971871816 /nfs/dbraw/zinc/87/18/16/971871816.db2.gz VQUKFZDQWMCCJV-UHFFFAOYSA-N 2 1 374.554 3.000 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083425 972354456 /nfs/dbraw/zinc/35/44/56/972354456.db2.gz YDPCKUWWNMLQCX-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083425 972354462 /nfs/dbraw/zinc/35/44/62/972354462.db2.gz YDPCKUWWNMLQCX-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083425 972354468 /nfs/dbraw/zinc/35/44/68/972354468.db2.gz YDPCKUWWNMLQCX-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000121085761 961858638 /nfs/dbraw/zinc/85/86/38/961858638.db2.gz ITICPMRGBMJGAT-LJQANCHMSA-N 2 1 360.421 2.631 20 30 FFEDMP CC[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261937522 964672935 /nfs/dbraw/zinc/67/29/35/964672935.db2.gz CTQSHSNTLYTNDK-WIYYLYMNSA-N 2 1 374.529 2.803 20 30 FFEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CCCC1 ZINC001270442940 965098256 /nfs/dbraw/zinc/09/82/56/965098256.db2.gz PIBWIKVSCKJWFV-QHAWAJNXSA-N 2 1 355.526 2.782 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261988163 965140315 /nfs/dbraw/zinc/14/03/15/965140315.db2.gz QQJJKVDZBYOXAS-FQEVSTJZSA-N 2 1 371.460 2.508 20 30 FFEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000329496546 967749634 /nfs/dbraw/zinc/74/96/34/967749634.db2.gz GAPWOHLQEFPSFK-QGZVFWFLSA-N 2 1 360.502 2.746 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211603587 967815128 /nfs/dbraw/zinc/81/51/28/967815128.db2.gz LPBXHIPZEQJXIF-AYWYSENESA-N 2 1 355.526 2.877 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001023994294 968404991 /nfs/dbraw/zinc/40/49/91/968404991.db2.gz DJLUTROAQVTZJJ-DZFGPLHGSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728320 968775160 /nfs/dbraw/zinc/77/51/60/968775160.db2.gz QECLDVFWLCQFSL-PKOBYXMFSA-N 2 1 360.502 2.819 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1CC ZINC001087728320 968775165 /nfs/dbraw/zinc/77/51/65/968775165.db2.gz QECLDVFWLCQFSL-PKOBYXMFSA-N 2 1 360.502 2.819 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087727830 968776111 /nfs/dbraw/zinc/77/61/11/968776111.db2.gz OQUQUDGZQIZQRH-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1C#N ZINC001087727830 968776119 /nfs/dbraw/zinc/77/61/19/968776119.db2.gz OQUQUDGZQIZQRH-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1C#N ZINC001087727830 968776128 /nfs/dbraw/zinc/77/61/28/968776128.db2.gz OQUQUDGZQIZQRH-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1C#N ZINC001087727830 968776138 /nfs/dbraw/zinc/77/61/38/968776138.db2.gz OQUQUDGZQIZQRH-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1 ZINC000985435044 974071693 /nfs/dbraw/zinc/07/16/93/974071693.db2.gz GWCZHKKBVPUCON-IEBWSBKVSA-N 2 1 356.514 2.653 20 30 FFEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000262557376 974295774 /nfs/dbraw/zinc/29/57/74/974295774.db2.gz VHDQVEQLDRGZRU-OXJNMPFZSA-N 2 1 364.493 2.861 20 30 FFEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000262557376 974295781 /nfs/dbraw/zinc/29/57/81/974295781.db2.gz VHDQVEQLDRGZRU-OXJNMPFZSA-N 2 1 364.493 2.861 20 30 FFEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001027447896 974525326 /nfs/dbraw/zinc/52/53/26/974525326.db2.gz BDMADUKFMVAXJM-IPMKNSEASA-N 2 1 363.465 2.508 20 30 FFEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588572 974952048 /nfs/dbraw/zinc/95/20/48/974952048.db2.gz JDHCYSYGARRDCZ-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588572 974952058 /nfs/dbraw/zinc/95/20/58/974952058.db2.gz JDHCYSYGARRDCZ-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001027588572 974952066 /nfs/dbraw/zinc/95/20/66/974952066.db2.gz JDHCYSYGARRDCZ-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1ccccc1 ZINC001211684302 975171695 /nfs/dbraw/zinc/17/16/95/975171695.db2.gz QZYYHXABBDGGLX-VQTJNVASSA-N 2 1 364.493 2.614 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530528 975526914 /nfs/dbraw/zinc/52/69/14/975526914.db2.gz YVRSEHRLJOSUOH-DXIQSLLYSA-N 2 1 370.541 2.938 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428201 975610662 /nfs/dbraw/zinc/61/06/62/975610662.db2.gz RRMKQLBOYFCBMT-YPAWHYETSA-N 2 1 367.537 2.879 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431565 976042871 /nfs/dbraw/zinc/04/28/71/976042871.db2.gz WNRDNCYGKAOLKN-WOJBJXKFSA-N 2 1 353.510 2.775 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431565 976042881 /nfs/dbraw/zinc/04/28/81/976042881.db2.gz WNRDNCYGKAOLKN-WOJBJXKFSA-N 2 1 353.510 2.775 20 30 FFEDMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876724045 1014364418 /nfs/dbraw/zinc/36/44/18/1014364418.db2.gz MCZWQHPCFFZIOR-NRFANRHFSA-N 2 1 368.525 2.716 20 30 FFEDMP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCc2ccccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000261659594 977441817 /nfs/dbraw/zinc/44/18/17/977441817.db2.gz ANHZBTQYALWADX-AVRDEDQJSA-N 2 1 370.541 2.511 20 30 FFEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCc2ccccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000261659594 977441820 /nfs/dbraw/zinc/44/18/20/977441820.db2.gz ANHZBTQYALWADX-AVRDEDQJSA-N 2 1 370.541 2.511 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459510 977977478 /nfs/dbraw/zinc/97/74/78/977977478.db2.gz IKHIZESNYNWKCT-WOJBJXKFSA-N 2 1 371.500 2.772 20 30 FFEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCCC2(C1)CCCCCC2 ZINC000261760194 978086868 /nfs/dbraw/zinc/08/68/68/978086868.db2.gz MUHOIKGWGCPNSE-UHFFFAOYSA-N 2 1 363.594 2.636 20 30 FFEDMP CC#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029920130 979815120 /nfs/dbraw/zinc/81/51/20/979815120.db2.gz OTQPUIDOUIBDRV-BAGYTPMASA-N 2 1 367.537 2.843 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029920130 979815127 /nfs/dbraw/zinc/81/51/27/979815127.db2.gz OTQPUIDOUIBDRV-BAGYTPMASA-N 2 1 367.537 2.843 20 30 FFEDMP CC#CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920130 979815134 /nfs/dbraw/zinc/81/51/34/979815134.db2.gz OTQPUIDOUIBDRV-BAGYTPMASA-N 2 1 367.537 2.843 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000911909237 983921416 /nfs/dbraw/zinc/92/14/16/983921416.db2.gz DFDZPBMXMNQSMT-KDURUIRLSA-N 2 1 373.541 2.762 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646665 984938802 /nfs/dbraw/zinc/93/88/02/984938802.db2.gz PATKVZLGQBAWIV-RZUBCFFCSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000172246304 985499300 /nfs/dbraw/zinc/49/93/00/985499300.db2.gz GAEFTBVXQNAJQW-NRFANRHFSA-N 2 1 353.510 2.598 20 30 FFEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000172246304 985499309 /nfs/dbraw/zinc/49/93/09/985499309.db2.gz GAEFTBVXQNAJQW-NRFANRHFSA-N 2 1 353.510 2.598 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079200754 991875465 /nfs/dbraw/zinc/87/54/65/991875465.db2.gz GWXVISCXTLJBBQ-RBUKOAKNSA-N 2 1 370.472 2.916 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001079296631 991982917 /nfs/dbraw/zinc/98/29/17/991982917.db2.gz KOJKNUMLELULRW-SXLOBPIMSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079314698 991988396 /nfs/dbraw/zinc/98/83/96/991988396.db2.gz GPSCJPCSJUUMBN-CEWLAPEOSA-N 2 1 371.500 2.606 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085196940 992701544 /nfs/dbraw/zinc/70/15/44/992701544.db2.gz VQBXEPKYTZBPSU-NJYVYQBISA-N 2 1 368.525 2.948 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081168081 993716044 /nfs/dbraw/zinc/71/60/44/993716044.db2.gz GOQRIDNXEVYBKQ-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809738169 994599849 /nfs/dbraw/zinc/59/98/49/994599849.db2.gz SGBNEMTYPDJPNC-ICSRJNTNSA-N 2 1 358.530 2.825 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000811955824 995300156 /nfs/dbraw/zinc/30/01/56/995300156.db2.gz BQTFUPGXZOACOH-RTWAWAEBSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000811955824 995300166 /nfs/dbraw/zinc/30/01/66/995300166.db2.gz BQTFUPGXZOACOH-RTWAWAEBSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000811955824 995300174 /nfs/dbraw/zinc/30/01/74/995300174.db2.gz BQTFUPGXZOACOH-RTWAWAEBSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000811955824 995300180 /nfs/dbraw/zinc/30/01/80/995300180.db2.gz BQTFUPGXZOACOH-RTWAWAEBSA-N 2 1 353.510 2.503 20 30 FFEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)c1 ZINC001084521927 996642609 /nfs/dbraw/zinc/64/26/09/996642609.db2.gz AUVGDNLKYWQJLO-WIYYLYMNSA-N 2 1 371.444 2.552 20 30 FFEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)c1 ZINC001084521927 996642614 /nfs/dbraw/zinc/64/26/14/996642614.db2.gz AUVGDNLKYWQJLO-WIYYLYMNSA-N 2 1 371.444 2.552 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000730105956 996854770 /nfs/dbraw/zinc/85/47/70/996854770.db2.gz RNGOPMYNMUSOLL-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000730105956 996854783 /nfs/dbraw/zinc/85/47/83/996854783.db2.gz RNGOPMYNMUSOLL-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000730105956 996854793 /nfs/dbraw/zinc/85/47/93/996854793.db2.gz RNGOPMYNMUSOLL-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000730105956 996854815 /nfs/dbraw/zinc/85/48/15/996854815.db2.gz RNGOPMYNMUSOLL-NQIIRXRSSA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC3CCCCC3)[C@H]2C1 ZINC001084961148 998387652 /nfs/dbraw/zinc/38/76/52/998387652.db2.gz NQTFUSKPWPDSHG-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC3CCCCC3)[C@H]2C1 ZINC001084961148 998387661 /nfs/dbraw/zinc/38/76/61/998387661.db2.gz NQTFUSKPWPDSHG-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CCCCC3)[C@H]2C1 ZINC001084961148 998387671 /nfs/dbraw/zinc/38/76/71/998387671.db2.gz NQTFUSKPWPDSHG-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCCC3)[C@H]2C1 ZINC001084961148 998387675 /nfs/dbraw/zinc/38/76/75/998387675.db2.gz NQTFUSKPWPDSHG-FSSWDIPSSA-N 2 1 371.569 2.977 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014374 998675876 /nfs/dbraw/zinc/67/58/76/998675876.db2.gz ZHYVXVXNXXTOJP-SQNIBIBYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014374 998675878 /nfs/dbraw/zinc/67/58/78/998675878.db2.gz ZHYVXVXNXXTOJP-SQNIBIBYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014374 998675880 /nfs/dbraw/zinc/67/58/80/998675880.db2.gz ZHYVXVXNXXTOJP-SQNIBIBYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014374 998675882 /nfs/dbraw/zinc/67/58/82/998675882.db2.gz ZHYVXVXNXXTOJP-SQNIBIBYSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067206 998833611 /nfs/dbraw/zinc/83/36/11/998833611.db2.gz YDCJFVMVOINGFS-AEFFLSMTSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067206 998833615 /nfs/dbraw/zinc/83/36/15/998833615.db2.gz YDCJFVMVOINGFS-AEFFLSMTSA-N 2 1 353.938 2.782 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCC4CCC4)[C@H]3C2)CC1 ZINC001085100721 998946186 /nfs/dbraw/zinc/94/61/86/998946186.db2.gz ZWYWSNNEHXDKJE-IRLDBZIGSA-N 2 1 371.569 2.835 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001085203891 999157775 /nfs/dbraw/zinc/15/77/75/999157775.db2.gz IOPQCUOXMJBQMY-SJFSSXKUSA-N 2 1 372.488 2.555 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001085333804 999381268 /nfs/dbraw/zinc/38/12/68/999381268.db2.gz IODXJJGGLHEJKF-HZPDHXFCSA-N 2 1 366.893 2.654 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C)CC1 ZINC001096605255 1016343256 /nfs/dbraw/zinc/34/32/56/1016343256.db2.gz GSVMWYUWGTWKGA-FSSWDIPSSA-N 2 1 365.521 2.562 20 30 FFEDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232453 1000373625 /nfs/dbraw/zinc/37/36/25/1000373625.db2.gz SONFOQBSMDEZOQ-PXNSSMCTSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232453 1000373628 /nfs/dbraw/zinc/37/36/28/1000373628.db2.gz SONFOQBSMDEZOQ-PXNSSMCTSA-N 2 1 369.509 2.839 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091672834 1001026534 /nfs/dbraw/zinc/02/65/34/1001026534.db2.gz VBJRBXQSWLAFEE-JQVVWYNYSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091672834 1001026538 /nfs/dbraw/zinc/02/65/38/1001026538.db2.gz VBJRBXQSWLAFEE-JQVVWYNYSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091672834 1001026543 /nfs/dbraw/zinc/02/65/43/1001026543.db2.gz VBJRBXQSWLAFEE-JQVVWYNYSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673069 1001035195 /nfs/dbraw/zinc/03/51/95/1001035195.db2.gz XUIQUWBZJGUJIC-JQVVWYNYSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673069 1001035201 /nfs/dbraw/zinc/03/52/01/1001035201.db2.gz XUIQUWBZJGUJIC-JQVVWYNYSA-N 2 1 359.558 2.997 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673069 1001035206 /nfs/dbraw/zinc/03/52/06/1001035206.db2.gz XUIQUWBZJGUJIC-JQVVWYNYSA-N 2 1 359.558 2.997 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001110014801 1001305730 /nfs/dbraw/zinc/30/57/30/1001305730.db2.gz JOHNLOABUMQLHV-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110014801 1001305736 /nfs/dbraw/zinc/30/57/36/1001305736.db2.gz JOHNLOABUMQLHV-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110014801 1001305741 /nfs/dbraw/zinc/30/57/41/1001305741.db2.gz JOHNLOABUMQLHV-AABGKKOBSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000785996307 1001515333 /nfs/dbraw/zinc/51/53/33/1001515333.db2.gz CVYJURSZINMSSE-IBGZPJMESA-N 2 1 356.514 2.808 20 30 FFEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000785996307 1001515339 /nfs/dbraw/zinc/51/53/39/1001515339.db2.gz CVYJURSZINMSSE-IBGZPJMESA-N 2 1 356.514 2.808 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086594745 1002574836 /nfs/dbraw/zinc/57/48/36/1002574836.db2.gz QXRNMRLDLVOZGX-VQTJNVASSA-N 2 1 353.510 2.633 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001489141470 1005422412 /nfs/dbraw/zinc/42/24/12/1005422412.db2.gz QVGMFUZHPZHRTB-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852858091 1006209936 /nfs/dbraw/zinc/20/99/36/1006209936.db2.gz PQOQARQUNQAJMF-GOSISDBHSA-N 2 1 353.510 2.680 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001086720673 1006256805 /nfs/dbraw/zinc/25/68/05/1006256805.db2.gz IBBGOCHIYOQQRQ-BDTNDASRSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001086720673 1006256813 /nfs/dbraw/zinc/25/68/13/1006256813.db2.gz IBBGOCHIYOQQRQ-BDTNDASRSA-N 2 1 367.537 2.776 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001086720940 1006258847 /nfs/dbraw/zinc/25/88/47/1006258847.db2.gz WXBIMFAKQUQZBI-WMQCIHAUSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001086720940 1006258853 /nfs/dbraw/zinc/25/88/53/1006258853.db2.gz WXBIMFAKQUQZBI-WMQCIHAUSA-N 2 1 371.500 2.606 20 30 FFEDMP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001189159770 1006930735 /nfs/dbraw/zinc/93/07/35/1006930735.db2.gz KOUPHMAVGQBYPF-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001189159770 1006930746 /nfs/dbraw/zinc/93/07/46/1006930746.db2.gz KOUPHMAVGQBYPF-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001189159770 1006930762 /nfs/dbraw/zinc/93/07/62/1006930762.db2.gz KOUPHMAVGQBYPF-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001189159770 1006930772 /nfs/dbraw/zinc/93/07/72/1006930772.db2.gz KOUPHMAVGQBYPF-VQTJNVASSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000818584587 1007948123 /nfs/dbraw/zinc/94/81/23/1007948123.db2.gz PTPMYWMHWQTCIY-GOSISDBHSA-N 2 1 356.514 2.565 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000859212744 1008488434 /nfs/dbraw/zinc/48/84/34/1008488434.db2.gz OBZQEQOVHCLGJP-NRFANRHFSA-N 2 1 367.493 2.686 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178702931 1009097824 /nfs/dbraw/zinc/09/78/24/1009097824.db2.gz WLKKKSPYCOICTN-VAMGGRTRSA-N 2 1 354.498 2.641 20 30 FFEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001093369515 1010233321 /nfs/dbraw/zinc/23/33/21/1010233321.db2.gz BIWKXAWMKLCCPE-ZCNNSNEGSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093369515 1010233331 /nfs/dbraw/zinc/23/33/31/1010233331.db2.gz BIWKXAWMKLCCPE-ZCNNSNEGSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093369515 1010233340 /nfs/dbraw/zinc/23/33/40/1010233340.db2.gz BIWKXAWMKLCCPE-ZCNNSNEGSA-N 2 1 359.558 2.996 20 30 FFEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884983 1010294374 /nfs/dbraw/zinc/29/43/74/1010294374.db2.gz NWQSCSVOSQSXSQ-ANTGDGSKSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884983 1010294385 /nfs/dbraw/zinc/29/43/85/1010294385.db2.gz NWQSCSVOSQSXSQ-ANTGDGSKSA-N 2 1 367.578 2.750 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093767829 1010539652 /nfs/dbraw/zinc/53/96/52/1010539652.db2.gz FEAHLIDWKUYXMG-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001094379786 1011085523 /nfs/dbraw/zinc/08/55/23/1011085523.db2.gz ALGMULDUQMHXEL-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001094379786 1011085527 /nfs/dbraw/zinc/08/55/27/1011085527.db2.gz ALGMULDUQMHXEL-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001094379786 1011085533 /nfs/dbraw/zinc/08/55/33/1011085533.db2.gz ALGMULDUQMHXEL-KCZVDYSFSA-N 2 1 366.509 2.513 20 30 FFEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN3C(=O)CC[C@H]3C2)c1 ZINC001172168660 1011678814 /nfs/dbraw/zinc/67/88/14/1011678814.db2.gz CBOFFJOSAZBSCO-XSDIEEQYSA-N 2 1 366.509 2.784 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1Cl ZINC001275234327 1012120002 /nfs/dbraw/zinc/12/00/02/1012120002.db2.gz MSOUYOULEBSGNU-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1Cl ZINC001275234327 1012120013 /nfs/dbraw/zinc/12/00/13/1012120013.db2.gz MSOUYOULEBSGNU-HXUWFJFHSA-N 2 1 374.916 2.730 20 30 FFEDMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(CC#N)CC1 ZINC001173336429 1012451918 /nfs/dbraw/zinc/45/19/18/1012451918.db2.gz YRUDXHHURGSHKK-ABHNRTSZSA-N 2 1 357.502 2.610 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000303896378 1012506553 /nfs/dbraw/zinc/50/65/53/1012506553.db2.gz PZFYNQVXOQWRNZ-NQIIRXRSSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000303896378 1012506573 /nfs/dbraw/zinc/50/65/73/1012506573.db2.gz PZFYNQVXOQWRNZ-NQIIRXRSSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000303896378 1012506579 /nfs/dbraw/zinc/50/65/79/1012506579.db2.gz PZFYNQVXOQWRNZ-NQIIRXRSSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCc2ccccc2)c1 ZINC000303906763 1012516675 /nfs/dbraw/zinc/51/66/75/1012516675.db2.gz WHMQJFPCTYJUFA-LJQANCHMSA-N 2 1 367.497 2.549 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000303974671 1012549169 /nfs/dbraw/zinc/54/91/69/1012549169.db2.gz IELAPKLWMYLCCH-QGZVFWFLSA-N 2 1 371.460 2.902 20 30 FFEDMP CCCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422863 1012570343 /nfs/dbraw/zinc/57/03/43/1012570343.db2.gz YBAVWPAQMKAIHA-UHFFFAOYSA-N 2 1 356.514 2.874 20 30 FFEDMP CCCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422863 1012570359 /nfs/dbraw/zinc/57/03/59/1012570359.db2.gz YBAVWPAQMKAIHA-UHFFFAOYSA-N 2 1 356.514 2.874 20 30 FFEDMP Cc1ccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1C ZINC000304810798 1012882637 /nfs/dbraw/zinc/88/26/37/1012882637.db2.gz WTBPJFZPWSLISO-UHFFFAOYSA-N 2 1 357.546 2.980 20 30 FFEDMP Cc1cc(N(CCC#N)C(=O)CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1Cl ZINC000931432759 1020462552 /nfs/dbraw/zinc/46/25/52/1020462552.db2.gz COOIROSSKBLULZ-SJORKVTESA-N 2 1 374.916 2.779 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C)CC1 ZINC001098460578 1020928070 /nfs/dbraw/zinc/92/80/70/1020928070.db2.gz GSVMWYUWGTWKGA-VSKRKVRLSA-N 2 1 365.521 2.562 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099261215 1022183579 /nfs/dbraw/zinc/18/35/79/1022183579.db2.gz QOSXOWQNGHFYEM-ARFHVFGLSA-N 2 1 361.452 2.519 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295703 1022247437 /nfs/dbraw/zinc/24/74/37/1022247437.db2.gz PIAOBTZJPIZUEG-BZUAXINKSA-N 2 1 361.452 2.663 20 30 FFEDMP C#CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000155776824 1022288544 /nfs/dbraw/zinc/28/85/44/1022288544.db2.gz SRJBMSKGTKNLNV-UHFFFAOYSA-N 2 1 353.510 2.776 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC/C=C\CCC)C[C@@]2(C)C1 ZINC001101270497 1024277307 /nfs/dbraw/zinc/27/73/07/1024277307.db2.gz QIRYAZZAEIORDB-RSGGHVAGSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC/C=C\CCC)C[C@@]2(C)C1 ZINC001101270497 1024277320 /nfs/dbraw/zinc/27/73/20/1024277320.db2.gz QIRYAZZAEIORDB-RSGGHVAGSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C\CCC)C[C@@]2(C)C1 ZINC001101270497 1024277332 /nfs/dbraw/zinc/27/73/32/1024277332.db2.gz QIRYAZZAEIORDB-RSGGHVAGSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC/C=C\CCC)C[C@@]2(C)C1 ZINC001101270497 1024277336 /nfs/dbraw/zinc/27/73/36/1024277336.db2.gz QIRYAZZAEIORDB-RSGGHVAGSA-N 2 1 357.542 2.611 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001101285235 1024330173 /nfs/dbraw/zinc/33/01/73/1024330173.db2.gz UHTDWIYWAGHIOB-OFNKIYASSA-N 2 1 367.537 2.549 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001101285235 1024330188 /nfs/dbraw/zinc/33/01/88/1024330188.db2.gz UHTDWIYWAGHIOB-OFNKIYASSA-N 2 1 367.537 2.549 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001101285235 1024330202 /nfs/dbraw/zinc/33/02/02/1024330202.db2.gz UHTDWIYWAGHIOB-OFNKIYASSA-N 2 1 367.537 2.549 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001101286355 1024333013 /nfs/dbraw/zinc/33/30/13/1024333013.db2.gz UORKJFYIDKWKND-NQIIRXRSSA-N 2 1 356.514 2.654 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001101295871 1024374147 /nfs/dbraw/zinc/37/41/47/1024374147.db2.gz KCUAHWNQSVUTNN-UTKZUKDTSA-N 2 1 365.481 2.627 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624906 1033252168 /nfs/dbraw/zinc/25/21/68/1033252168.db2.gz XVYIGNVHYJYWJS-SLFFLAALSA-N 2 1 365.562 2.765 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001103156440 1027010725 /nfs/dbraw/zinc/01/07/25/1027010725.db2.gz DFKRSMNSUJMQMI-TZIWHRDSSA-N 2 1 369.553 2.843 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103156440 1027010732 /nfs/dbraw/zinc/01/07/32/1027010732.db2.gz DFKRSMNSUJMQMI-TZIWHRDSSA-N 2 1 369.553 2.843 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103156440 1027010739 /nfs/dbraw/zinc/01/07/39/1027010739.db2.gz DFKRSMNSUJMQMI-TZIWHRDSSA-N 2 1 369.553 2.843 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171331 1027026465 /nfs/dbraw/zinc/02/64/65/1027026465.db2.gz WMZDPGQLFDXHGL-BRWVUGGUSA-N 2 1 362.518 2.779 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171331 1027026473 /nfs/dbraw/zinc/02/64/73/1027026473.db2.gz WMZDPGQLFDXHGL-BRWVUGGUSA-N 2 1 362.518 2.779 20 30 FFEDMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103614441 1027781710 /nfs/dbraw/zinc/78/17/10/1027781710.db2.gz NXFAMHQAFCVUPH-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103614441 1027781720 /nfs/dbraw/zinc/78/17/20/1027781720.db2.gz NXFAMHQAFCVUPH-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103614441 1027781732 /nfs/dbraw/zinc/78/17/32/1027781732.db2.gz NXFAMHQAFCVUPH-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001103632600 1027829829 /nfs/dbraw/zinc/82/98/29/1027829829.db2.gz MUHYKUNAPJACKB-KNKQGSTJSA-N 2 1 355.526 2.561 20 30 FFEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cnc(C[NH3+])c2C(=O)OCC)cc1 ZINC001162541189 1028576383 /nfs/dbraw/zinc/57/63/83/1028576383.db2.gz RASGSJNHAJVURU-GOSISDBHSA-N 2 1 354.454 2.831 20 30 FFEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158123793 1029738574 /nfs/dbraw/zinc/73/85/74/1029738574.db2.gz CIYGMDAJDXDZKW-VAMGGRTRSA-N 2 1 365.562 2.765 20 30 FFEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158123793 1029738580 /nfs/dbraw/zinc/73/85/80/1029738580.db2.gz CIYGMDAJDXDZKW-VAMGGRTRSA-N 2 1 365.562 2.765 20 30 FFEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158123793 1029738587 /nfs/dbraw/zinc/73/85/87/1029738587.db2.gz CIYGMDAJDXDZKW-VAMGGRTRSA-N 2 1 365.562 2.765 20 30 FFEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158123793 1029738592 /nfs/dbraw/zinc/73/85/92/1029738592.db2.gz CIYGMDAJDXDZKW-VAMGGRTRSA-N 2 1 365.562 2.765 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131035 1030071282 /nfs/dbraw/zinc/07/12/82/1030071282.db2.gz GZAOUMFLOSVZQZ-BPLDGKMQSA-N 2 1 358.408 2.525 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150353188 1031702207 /nfs/dbraw/zinc/70/22/07/1031702207.db2.gz CHMAACFLURGHIL-QGZVFWFLSA-N 2 1 365.905 2.634 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205452577 1031757759 /nfs/dbraw/zinc/75/77/59/1031757759.db2.gz IPKFTAFEVUKRRI-LSTHTHJFSA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205456183 1031759508 /nfs/dbraw/zinc/75/95/08/1031759508.db2.gz JRJRNEJFXWBSCG-YZGWKJHDSA-N 2 1 359.489 2.628 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205572670 1031841682 /nfs/dbraw/zinc/84/16/82/1031841682.db2.gz LWFGBAMZVUIHFM-DFQSSKMNSA-N 2 1 359.489 2.770 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205619613 1031878695 /nfs/dbraw/zinc/87/86/95/1031878695.db2.gz JLTGHLMBJZYULA-TYPHKJRUSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593775 1031912793 /nfs/dbraw/zinc/91/27/93/1031912793.db2.gz OSEVDGIVVFZVKU-RTBURBONSA-N 2 1 365.562 2.861 20 30 FFEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593775 1031912802 /nfs/dbraw/zinc/91/28/02/1031912802.db2.gz OSEVDGIVVFZVKU-RTBURBONSA-N 2 1 365.562 2.861 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001223368153 1033415134 /nfs/dbraw/zinc/41/51/34/1033415134.db2.gz FYGKFDIFPPNTKY-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001223368153 1033415136 /nfs/dbraw/zinc/41/51/36/1033415136.db2.gz FYGKFDIFPPNTKY-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923267 1033893021 /nfs/dbraw/zinc/89/30/21/1033893021.db2.gz ZJXANDZUJLZTEU-MOPGFXCFSA-N 2 1 365.562 2.547 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923267 1033893030 /nfs/dbraw/zinc/89/30/30/1033893030.db2.gz ZJXANDZUJLZTEU-MOPGFXCFSA-N 2 1 365.562 2.547 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923267 1033893041 /nfs/dbraw/zinc/89/30/41/1033893041.db2.gz ZJXANDZUJLZTEU-MOPGFXCFSA-N 2 1 365.562 2.547 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001220726060 1034357350 /nfs/dbraw/zinc/35/73/50/1034357350.db2.gz HYYXZSJCDXCVPP-AQNXPRMDSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001220726060 1034357360 /nfs/dbraw/zinc/35/73/60/1034357360.db2.gz HYYXZSJCDXCVPP-AQNXPRMDSA-N 2 1 367.578 2.773 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001220726060 1034357369 /nfs/dbraw/zinc/35/73/69/1034357369.db2.gz HYYXZSJCDXCVPP-AQNXPRMDSA-N 2 1 367.578 2.773 20 30 FFEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001226824982 1034853437 /nfs/dbraw/zinc/85/34/37/1034853437.db2.gz UUMRYRWCCAKPRX-NHCUHLMSSA-N 2 1 353.510 2.539 20 30 FFEDMP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001221816980 1035090675 /nfs/dbraw/zinc/09/06/75/1035090675.db2.gz HTLHEYZWOSJVJV-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001221816980 1035090683 /nfs/dbraw/zinc/09/06/83/1035090683.db2.gz HTLHEYZWOSJVJV-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001221816980 1035090689 /nfs/dbraw/zinc/09/06/89/1035090689.db2.gz HTLHEYZWOSJVJV-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21)CC(C)(C)C ZINC001221816980 1035090695 /nfs/dbraw/zinc/09/06/95/1035090695.db2.gz HTLHEYZWOSJVJV-WOJBJXKFSA-N 2 1 368.525 2.569 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936693 1035167317 /nfs/dbraw/zinc/16/73/17/1035167317.db2.gz PBVIFQJLZKILPJ-IOMROCGXSA-N 2 1 359.558 2.996 20 30 FFEDMP c1ccc(C[N@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834977230 1035483510 /nfs/dbraw/zinc/48/35/10/1035483510.db2.gz RKOVODUPOSIRRN-RBBKRZOGSA-N 2 1 370.541 2.729 20 30 FFEDMP c1ccc(C[N@@H+]2CCC(=NNCCC[NH+]3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834977230 1035483515 /nfs/dbraw/zinc/48/35/15/1035483515.db2.gz RKOVODUPOSIRRN-RBBKRZOGSA-N 2 1 370.541 2.729 20 30 FFEDMP C#CCN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3Cl)C2)C1=O ZINC001277905229 1037230970 /nfs/dbraw/zinc/23/09/70/1037230970.db2.gz KKLLZCGFRVLOFM-HXUWFJFHSA-N 2 1 368.868 2.583 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001235523432 1037609020 /nfs/dbraw/zinc/60/90/20/1037609020.db2.gz WHXBKSXXZOJFHM-YADHBBJMSA-N 2 1 356.510 2.906 20 30 FFEDMP C=CCN(CC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1)C(=O)OCC ZINC001235972791 1037870490 /nfs/dbraw/zinc/87/04/90/1037870490.db2.gz BQWZBVBDZNMDGR-UHFFFAOYSA-N 2 1 357.498 2.768 20 30 FFEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC001231820216 1037929383 /nfs/dbraw/zinc/92/93/83/1037929383.db2.gz WVZCEMKDEUYULY-UHFFFAOYSA-N 2 1 355.486 2.666 20 30 FFEDMP C=CCOC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)Cc2nnn(CC3CC3)c21 ZINC001208596216 1038433557 /nfs/dbraw/zinc/43/35/57/1038433557.db2.gz GVBUGEAJIJNNLA-IBGZPJMESA-N 2 1 373.545 2.522 20 30 FFEDMP C=CCOC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)Cc2nnn(CC3CC3)c21 ZINC001208596216 1038433561 /nfs/dbraw/zinc/43/35/61/1038433561.db2.gz GVBUGEAJIJNNLA-IBGZPJMESA-N 2 1 373.545 2.522 20 30 FFEDMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256529147 1038546094 /nfs/dbraw/zinc/54/60/94/1038546094.db2.gz RBTQLEPHRHIYCI-DNVCBOLYSA-N 2 1 350.466 2.544 20 30 FFEDMP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246305474 1039307842 /nfs/dbraw/zinc/30/78/42/1039307842.db2.gz HYQMJCWUASMYAE-RTWAWAEBSA-N 2 1 373.541 2.858 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246305474 1039307860 /nfs/dbraw/zinc/30/78/60/1039307860.db2.gz HYQMJCWUASMYAE-RTWAWAEBSA-N 3 1 373.541 2.858 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246305474 1039307880 /nfs/dbraw/zinc/30/78/80/1039307880.db2.gz HYQMJCWUASMYAE-RTWAWAEBSA-N 3 1 373.541 2.858 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001278638481 1039361744 /nfs/dbraw/zinc/36/17/44/1039361744.db2.gz YPBKPKXNUREOJH-KDURUIRLSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001278638481 1039361754 /nfs/dbraw/zinc/36/17/54/1039361754.db2.gz YPBKPKXNUREOJH-KDURUIRLSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001278638481 1039361768 /nfs/dbraw/zinc/36/17/68/1039361768.db2.gz YPBKPKXNUREOJH-KDURUIRLSA-N 2 1 353.445 2.764 20 30 FFEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246598655 1039408717 /nfs/dbraw/zinc/40/87/17/1039408717.db2.gz BRXUNTAKTFJNBK-UHFFFAOYSA-N 2 1 356.489 2.557 20 30 FFEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001252598829 1039609356 /nfs/dbraw/zinc/60/93/56/1039609356.db2.gz RYLHCWHMNFJFQR-NRFANRHFSA-N 2 1 358.526 2.989 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446706 1040562395 /nfs/dbraw/zinc/56/23/95/1040562395.db2.gz SVZCOJXEYOUFHI-QZTJIDSGSA-N 2 1 353.551 2.526 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446706 1040562415 /nfs/dbraw/zinc/56/24/15/1040562415.db2.gz SVZCOJXEYOUFHI-QZTJIDSGSA-N 2 1 353.551 2.526 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446706 1040562429 /nfs/dbraw/zinc/56/24/29/1040562429.db2.gz SVZCOJXEYOUFHI-QZTJIDSGSA-N 2 1 353.551 2.526 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526666 1040645244 /nfs/dbraw/zinc/64/52/44/1040645244.db2.gz TXLABGQXIPPTEX-RTBURBONSA-N 2 1 353.551 2.504 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575909 1040687347 /nfs/dbraw/zinc/68/73/47/1040687347.db2.gz AFEUZZBHEXIMDM-RTBURBONSA-N 2 1 362.518 2.534 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575909 1040687350 /nfs/dbraw/zinc/68/73/50/1040687350.db2.gz AFEUZZBHEXIMDM-RTBURBONSA-N 2 1 362.518 2.534 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213713732 1040829195 /nfs/dbraw/zinc/82/91/95/1040829195.db2.gz YMTXRGIWNFXOEP-RTBURBONSA-N 2 1 353.551 2.670 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921697 1041075315 /nfs/dbraw/zinc/07/53/15/1041075315.db2.gz HRPZFBSFJRXZDG-RTBURBONSA-N 2 1 353.551 2.648 20 30 FFEDMP C#CCCN1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001255388974 1041313723 /nfs/dbraw/zinc/31/37/23/1041313723.db2.gz AWPQBDZBTYGRCI-LEWJYISDSA-N 2 1 353.510 2.645 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001214855989 1041596313 /nfs/dbraw/zinc/59/63/13/1041596313.db2.gz TWKAHMDNLVBJIH-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215036019 1041651678 /nfs/dbraw/zinc/65/16/78/1041651678.db2.gz LWMRYDFHLRCBMD-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC001262568152 1041726850 /nfs/dbraw/zinc/72/68/50/1041726850.db2.gz MUWDTTGJDAJMIU-QGZVFWFLSA-N 2 1 369.278 2.699 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC001262568535 1041726927 /nfs/dbraw/zinc/72/69/27/1041726927.db2.gz YUJRYEAMHXKJGP-UZLBHIALSA-N 2 1 364.917 2.856 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001264001609 1042574855 /nfs/dbraw/zinc/57/48/55/1042574855.db2.gz AOSCUUWGYXRAKC-FUHIMQAGSA-N 2 1 353.526 2.992 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001264062303 1042606607 /nfs/dbraw/zinc/60/66/07/1042606607.db2.gz ZFAHUXGXZCSJRO-RBUKOAKNSA-N 2 1 361.917 2.612 20 30 FFEDMP C#Cc1cccc(C[NH+]2CCC3(CCC[N@@H+](COCCOC)C3)CC2)c1 ZINC001279301826 1042991639 /nfs/dbraw/zinc/99/16/39/1042991639.db2.gz OVVDOFUUAPIPGR-UHFFFAOYSA-N 2 1 356.510 2.966 20 30 FFEDMP C#Cc1cccc(C[NH+]2CCC3(CCC[N@H+](COCCOC)C3)CC2)c1 ZINC001279301826 1042991642 /nfs/dbraw/zinc/99/16/42/1042991642.db2.gz OVVDOFUUAPIPGR-UHFFFAOYSA-N 2 1 356.510 2.966 20 30 FFEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237471255 1043187001 /nfs/dbraw/zinc/18/70/01/1043187001.db2.gz QVSIOCXJEAGTLV-UHFFFAOYSA-N 2 1 367.541 2.899 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]3CC2)cc1C#N ZINC001279555595 1043250018 /nfs/dbraw/zinc/25/00/18/1043250018.db2.gz BKBPJWYQFWSGAP-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]3CC2)cc1C#N ZINC001279555595 1043250025 /nfs/dbraw/zinc/25/00/25/1043250025.db2.gz BKBPJWYQFWSGAP-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]3CC2)cc1C#N ZINC001279555595 1043250030 /nfs/dbraw/zinc/25/00/30/1043250030.db2.gz BKBPJWYQFWSGAP-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)c3F)(C1)CCC2 ZINC001279763449 1043605494 /nfs/dbraw/zinc/60/54/94/1043605494.db2.gz XBPIFLAYOQATIF-UXHICEINSA-N 2 1 361.461 2.842 20 30 FFEDMP C=CCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N(C)CC[NH+](CC)CC)O2 ZINC001279829333 1043730687 /nfs/dbraw/zinc/73/06/87/1043730687.db2.gz YPWKMJNPFSSRID-IBGZPJMESA-N 2 1 365.562 2.766 20 30 FFEDMP CCc1cc(CN2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)ccc1C#N ZINC001238760706 1043874557 /nfs/dbraw/zinc/87/45/57/1043874557.db2.gz OHFKQNPCLCNGNA-QFIPXVFZSA-N 2 1 371.525 2.681 20 30 FFEDMP CCc1cc(CN2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)ccc1C#N ZINC001238760706 1043874573 /nfs/dbraw/zinc/87/45/73/1043874573.db2.gz OHFKQNPCLCNGNA-QFIPXVFZSA-N 2 1 371.525 2.681 20 30 FFEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001280074697 1044172903 /nfs/dbraw/zinc/17/29/03/1044172903.db2.gz QWTUKCIONVQCFL-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001317880033 1045159504 /nfs/dbraw/zinc/15/95/04/1045159504.db2.gz ONJCICXWCUVWLI-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001317880033 1045159507 /nfs/dbraw/zinc/15/95/07/1045159507.db2.gz ONJCICXWCUVWLI-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001317880033 1045159510 /nfs/dbraw/zinc/15/95/10/1045159510.db2.gz ONJCICXWCUVWLI-YADHBBJMSA-N 2 1 367.537 2.526 20 30 FFEDMP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001341601497 1050229077 /nfs/dbraw/zinc/22/90/77/1050229077.db2.gz VFUWVCBOHCCZRP-KRWDZBQOSA-N 2 1 364.559 2.717 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177695 1051802804 /nfs/dbraw/zinc/80/28/04/1051802804.db2.gz GLYHJZBSGYRWMO-HCXYKTFWSA-N 2 1 361.917 2.873 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001344507266 1052808356 /nfs/dbraw/zinc/80/83/56/1052808356.db2.gz NYZCKWYYAKYLSA-UHFFFAOYSA-N 2 1 353.510 2.503 20 30 FFEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338994557 1055998399 /nfs/dbraw/zinc/99/83/99/1055998399.db2.gz FUIIFPIQELOZLG-WMZOPIPTSA-N 2 1 358.534 2.541 20 30 FFEDMP C#CCCN(CC(F)(F)F)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847743676 1056505932 /nfs/dbraw/zinc/50/59/32/1056505932.db2.gz DTNZDOTVCNONMP-UHFFFAOYSA-N 2 1 373.463 2.597 20 30 FFEDMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001480765195 1063066036 /nfs/dbraw/zinc/06/60/36/1063066036.db2.gz AWNCSCHAZFPFCM-JFIYKMOQSA-N 2 1 361.917 2.516 20 30 FFEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC001442674698 1063555796 /nfs/dbraw/zinc/55/57/96/1063555796.db2.gz HEEDFJRLSFVOFO-FGZHOGPDSA-N 2 1 367.537 2.702 20 30 FFEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC001442674698 1063555810 /nfs/dbraw/zinc/55/58/10/1063555810.db2.gz HEEDFJRLSFVOFO-FGZHOGPDSA-N 2 1 367.537 2.702 20 30 FFEDMP C=C(C)CN(CC)c1nnc(C2CC[NH2+]CC2)n1CC[N@@H+](CC)C1CC1 ZINC001574836293 1078086581 /nfs/dbraw/zinc/08/65/81/1078086581.db2.gz XOTGQXTZLSBKQQ-UHFFFAOYSA-N 2 1 360.550 2.632 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001574845120 1078087928 /nfs/dbraw/zinc/08/79/28/1078087928.db2.gz VVSMWAFELCKIIK-SFHVURJKSA-N 2 1 358.534 2.733 20 30 FFEDMP C=CCN(c1nnc(C2CC[NH2+]CC2)n1CC[N@H+](C)[C@@H](C)CC)C1CC1 ZINC001574935216 1078094843 /nfs/dbraw/zinc/09/48/43/1078094843.db2.gz CPBONNYYUXRCJP-INIZCTEOSA-N 2 1 360.550 2.630 20 30 FFEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001575050761 1078101083 /nfs/dbraw/zinc/10/10/83/1078101083.db2.gz FEDGOTQBKGWGPF-OAHLLOKOSA-N 2 1 358.511 2.562 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001569669943 1077157858 /nfs/dbraw/zinc/15/78/58/1077157858.db2.gz YPFNOBNSUYIETD-VWPQPMDRSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC001574518483 1078007671 /nfs/dbraw/zinc/00/76/71/1078007671.db2.gz YCHWRAUVAAFFKM-GCJKJVERSA-N 2 1 353.510 2.680 20 30 FFEDMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000064508643 507800482 /nfs/dbraw/zinc/80/04/82/507800482.db2.gz KQSCGRBXJGMZCR-UHFFFAOYSA-N 2 1 354.498 2.513 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821187 508102334 /nfs/dbraw/zinc/10/23/34/508102334.db2.gz CGCRNPORMDIIRC-SFHVURJKSA-N 2 1 371.529 2.628 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248730762 509455275 /nfs/dbraw/zinc/45/52/75/509455275.db2.gz DEYBPWAVOLMCBA-GHTZIAJQSA-N 2 1 370.541 2.847 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598475 509604528 /nfs/dbraw/zinc/60/45/28/509604528.db2.gz NVMIVLJRHPFZRB-YLJYHZDGSA-N 2 1 356.514 2.599 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598461 509604571 /nfs/dbraw/zinc/60/45/71/509604571.db2.gz NVMIVLJRHPFZRB-PXNSSMCTSA-N 2 1 356.514 2.599 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000176720649 509657612 /nfs/dbraw/zinc/65/76/12/509657612.db2.gz MAZUJLKEZSJZRF-GHTZIAJQSA-N 2 1 353.510 2.501 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249365274 509661822 /nfs/dbraw/zinc/66/18/22/509661822.db2.gz OITMZGQKRZWFFQ-FXAWDEMLSA-N 2 1 372.513 2.613 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183500082 509829602 /nfs/dbraw/zinc/82/96/02/509829602.db2.gz WJWADJSBCOTQDG-INIZCTEOSA-N 2 1 373.497 2.820 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184746545 510497467 /nfs/dbraw/zinc/49/74/67/510497467.db2.gz ZXTZTCHKVUIABH-GYPIEGGISA-N 2 1 370.541 2.741 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184746545 510497473 /nfs/dbraw/zinc/49/74/73/510497473.db2.gz ZXTZTCHKVUIABH-GYPIEGGISA-N 2 1 370.541 2.741 20 30 FFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246944567 510760697 /nfs/dbraw/zinc/76/06/97/510760697.db2.gz NRYJTLZIRVKBAZ-CRAIPNDOSA-N 2 1 360.889 2.956 20 30 FFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000246944567 510760703 /nfs/dbraw/zinc/76/07/03/510760703.db2.gz NRYJTLZIRVKBAZ-CRAIPNDOSA-N 2 1 360.889 2.956 20 30 FFEDMP N#Cc1ccc(N2CC[C@H](N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015277 510800895 /nfs/dbraw/zinc/80/08/95/510800895.db2.gz XQINITVBQONRJI-QMMLZNLJSA-N 2 1 364.493 2.612 20 30 FFEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981473 511794602 /nfs/dbraw/zinc/79/46/02/511794602.db2.gz NDAGMJFJMZEOMR-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981473 511794606 /nfs/dbraw/zinc/79/46/06/511794606.db2.gz NDAGMJFJMZEOMR-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981473 511794611 /nfs/dbraw/zinc/79/46/11/511794611.db2.gz NDAGMJFJMZEOMR-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 ZINC000292981473 511794617 /nfs/dbraw/zinc/79/46/17/511794617.db2.gz NDAGMJFJMZEOMR-FQEVSTJZSA-N 2 1 372.538 2.855 20 30 FFEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000329140480 511991100 /nfs/dbraw/zinc/99/11/00/511991100.db2.gz FVUFSIJNFPVSHI-QGZVFWFLSA-N 2 1 359.518 2.606 20 30 FFEDMP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000329140480 511991105 /nfs/dbraw/zinc/99/11/05/511991105.db2.gz FVUFSIJNFPVSHI-QGZVFWFLSA-N 2 1 359.518 2.606 20 30 FFEDMP C[C@@H]1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1n1ccnc1 ZINC000329156074 511994655 /nfs/dbraw/zinc/99/46/55/511994655.db2.gz BWSDMVYTKISNRD-BRWVUGGUSA-N 2 1 370.453 2.563 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000376388216 512796111 /nfs/dbraw/zinc/79/61/11/512796111.db2.gz SGVPXRYYKDAQGX-MRXNPFEDSA-N 2 1 358.511 2.533 20 30 FFEDMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000376388216 512796113 /nfs/dbraw/zinc/79/61/13/512796113.db2.gz SGVPXRYYKDAQGX-MRXNPFEDSA-N 2 1 358.511 2.533 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000370708008 513064193 /nfs/dbraw/zinc/06/41/93/513064193.db2.gz GJNDRBLVMWTJLX-AZUAARDMSA-N 2 1 373.541 2.718 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000370708008 513064196 /nfs/dbraw/zinc/06/41/96/513064196.db2.gz GJNDRBLVMWTJLX-AZUAARDMSA-N 2 1 373.541 2.718 20 30 FFEDMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000442810401 513784911 /nfs/dbraw/zinc/78/49/11/513784911.db2.gz MFJDQVYANBDVJU-CALCHBBNSA-N 2 1 357.498 2.888 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000420389475 514124240 /nfs/dbraw/zinc/12/42/40/514124240.db2.gz YKESFYCKQHMYNF-PZJWPPBQSA-N 2 1 359.514 2.692 20 30 FFEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139820 514397146 /nfs/dbraw/zinc/39/71/46/514397146.db2.gz FMWPTAGPYWFCKQ-TZIWHRDSSA-N 2 1 354.498 2.522 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029264 515944859 /nfs/dbraw/zinc/94/48/59/515944859.db2.gz QDXPZCKRVPSKQN-UTKZUKDTSA-N 2 1 371.529 2.673 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000465667835 516223140 /nfs/dbraw/zinc/22/31/40/516223140.db2.gz RPBPKOLYOBHLTM-YLJYHZDGSA-N 2 1 371.529 2.677 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528353735 516371350 /nfs/dbraw/zinc/37/13/50/516371350.db2.gz JFVOAWOHFJTYDW-HXUWFJFHSA-N 2 1 359.514 2.742 20 30 FFEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000526056753 517317676 /nfs/dbraw/zinc/31/76/76/517317676.db2.gz OHDKBEBSECKUIS-ROUUACIJSA-N 2 1 360.546 2.914 20 30 FFEDMP C=CCOc1ccccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000572647947 518292689 /nfs/dbraw/zinc/29/26/89/518292689.db2.gz IEEPLJJDAGUPLD-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000572647947 518292694 /nfs/dbraw/zinc/29/26/94/518292694.db2.gz IEEPLJJDAGUPLD-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP C=CCOc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000572647947 518292702 /nfs/dbraw/zinc/29/27/02/518292702.db2.gz IEEPLJJDAGUPLD-WCRBZPEASA-N 2 1 355.526 2.994 20 30 FFEDMP CN(CCC[N@H+](C)Cc1ccc(Br)cc1C#N)CC[NH+](C)C ZINC000579034562 518489827 /nfs/dbraw/zinc/48/98/27/518489827.db2.gz IYFCSKMGXLDNLS-UHFFFAOYSA-N 2 1 367.335 2.636 20 30 FFEDMP CN(CCC[N@@H+](C)Cc1ccc(Br)cc1C#N)CC[NH+](C)C ZINC000579034562 518489835 /nfs/dbraw/zinc/48/98/35/518489835.db2.gz IYFCSKMGXLDNLS-UHFFFAOYSA-N 2 1 367.335 2.636 20 30 FFEDMP CC(C)[NH+](C)C[C@@H](C)Nc1nc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1C#N ZINC000583784939 519430349 /nfs/dbraw/zinc/43/03/49/519430349.db2.gz DNYLKOFFBNSMPY-IAGOWNOFSA-N 2 1 360.550 2.656 20 30 FFEDMP CC(C)[NH+](C)C[C@@H](C)Nc1ccc(C#N)c(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000583784939 519430355 /nfs/dbraw/zinc/43/03/55/519430355.db2.gz DNYLKOFFBNSMPY-IAGOWNOFSA-N 2 1 360.550 2.656 20 30 FFEDMP CC(C)[NH+](C)C[C@@H](C)Nc1ccc(C#N)c(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000583784939 519430359 /nfs/dbraw/zinc/43/03/59/519430359.db2.gz DNYLKOFFBNSMPY-IAGOWNOFSA-N 2 1 360.550 2.656 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000566430623 519490158 /nfs/dbraw/zinc/49/01/58/519490158.db2.gz FYTYYHBAYNPFED-FQEVSTJZSA-N 2 1 372.488 2.703 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(CC#N)cc3)CC2)CC1 ZINC000594373986 519922815 /nfs/dbraw/zinc/92/28/15/519922815.db2.gz KHSZNXKZIUINKD-UHFFFAOYSA-N 2 1 368.525 2.565 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnc(C#N)c3)CC2)CC1 ZINC000610994476 520935017 /nfs/dbraw/zinc/93/50/17/520935017.db2.gz IFMZPEHNHWXSSJ-UHFFFAOYSA-N 2 1 355.530 2.581 20 30 FFEDMP Cc1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164685225 719606185 /nfs/dbraw/zinc/60/61/85/719606185.db2.gz TWUHNVZRPBYRTR-UHFFFAOYSA-N 2 1 358.877 2.587 20 30 FFEDMP Cc1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164685225 719606190 /nfs/dbraw/zinc/60/61/90/719606190.db2.gz TWUHNVZRPBYRTR-UHFFFAOYSA-N 2 1 358.877 2.587 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129256324 728710807 /nfs/dbraw/zinc/71/08/07/728710807.db2.gz XGGZNZNQTRRLEN-HPFXQQBRSA-N 2 1 350.551 2.618 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000129777357 728713146 /nfs/dbraw/zinc/71/31/46/728713146.db2.gz PVZFAELCWYGGOR-IEBWSBKVSA-N 2 1 359.539 2.592 20 30 FFEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261952732 729655406 /nfs/dbraw/zinc/65/54/06/729655406.db2.gz HVASQVJVOIWZAU-VQIMIIECSA-N 2 1 362.543 2.573 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N1CCC(O)CC1 ZINC000262449630 729666355 /nfs/dbraw/zinc/66/63/55/729666355.db2.gz VSHHIYXDCPVPGY-MAUKXSAKSA-N 2 1 364.559 2.553 20 30 FFEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262787892 729671044 /nfs/dbraw/zinc/67/10/44/729671044.db2.gz MPOVBUOPBVFZSF-RHSMWYFYSA-N 2 1 357.527 2.952 20 30 FFEDMP CCN(CC)C(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303870785 729734865 /nfs/dbraw/zinc/73/48/65/729734865.db2.gz FMYNBWDCFRYJKQ-UHFFFAOYSA-N 2 1 351.926 2.509 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001087998125 971784585 /nfs/dbraw/zinc/78/45/85/971784585.db2.gz SGVYOCRORRYXPR-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001087998125 971784588 /nfs/dbraw/zinc/78/45/88/971784588.db2.gz SGVYOCRORRYXPR-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001087998125 971784593 /nfs/dbraw/zinc/78/45/93/971784593.db2.gz SGVYOCRORRYXPR-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001087998125 971784596 /nfs/dbraw/zinc/78/45/96/971784596.db2.gz SGVYOCRORRYXPR-FSSWDIPSSA-N 2 1 371.569 2.835 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC2(C)C)CC[N@H+]1C ZINC000974601120 972033762 /nfs/dbraw/zinc/03/37/62/972033762.db2.gz SPLYCRJWIPLSSR-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974597376 972046698 /nfs/dbraw/zinc/04/66/98/972046698.db2.gz CWCGIXQIBGCATK-PWRODBHTSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000974597376 972046702 /nfs/dbraw/zinc/04/67/02/972046702.db2.gz CWCGIXQIBGCATK-PWRODBHTSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974597376 972046710 /nfs/dbraw/zinc/04/67/10/972046710.db2.gz CWCGIXQIBGCATK-PWRODBHTSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000974597376 972046713 /nfs/dbraw/zinc/04/67/13/972046713.db2.gz CWCGIXQIBGCATK-PWRODBHTSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000974597376 972046720 /nfs/dbraw/zinc/04/67/20/972046720.db2.gz CWCGIXQIBGCATK-PWRODBHTSA-N 2 1 367.537 2.595 20 30 FFEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCc2ccccc21 ZINC001176453366 1013706856 /nfs/dbraw/zinc/70/68/56/1013706856.db2.gz SPKSMZUVEGJXCA-JOCHJYFZSA-N 2 1 367.537 2.988 20 30 FFEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCc2ccccc21 ZINC001176453366 1013706862 /nfs/dbraw/zinc/70/68/62/1013706862.db2.gz SPKSMZUVEGJXCA-JOCHJYFZSA-N 2 1 367.537 2.988 20 30 FFEDMP C=C(Br)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578747 968234360 /nfs/dbraw/zinc/23/43/60/968234360.db2.gz MIMVILOKVBULKX-CAOSSQGBSA-N 2 1 372.351 2.594 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593432 968282078 /nfs/dbraw/zinc/28/20/78/968282078.db2.gz GTDXXNPNFWDOIP-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593432 968282089 /nfs/dbraw/zinc/28/20/89/968282089.db2.gz GTDXXNPNFWDOIP-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593432 968282098 /nfs/dbraw/zinc/28/20/98/968282098.db2.gz GTDXXNPNFWDOIP-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1CC ZINC001087593432 968282106 /nfs/dbraw/zinc/28/21/06/968282106.db2.gz GTDXXNPNFWDOIP-BHDDXSALSA-N 2 1 367.537 2.882 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)[C@@H]2CC)CC1 ZINC001087840246 970522538 /nfs/dbraw/zinc/52/25/38/970522538.db2.gz NRVOGTUDPSIQNX-FCHUYYIVSA-N 2 1 367.537 2.809 20 30 FFEDMP CCO[C@@H]1C[C@H](NC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)=[NH+]C)C12CCCC2 ZINC000262440700 973236395 /nfs/dbraw/zinc/23/63/95/973236395.db2.gz UPFXVYKEECEFSC-HDDXRBDOSA-N 2 1 362.562 2.905 20 30 FFEDMP C=CC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCC[NH2+]1 ZINC000662739487 973869595 /nfs/dbraw/zinc/86/95/95/973869595.db2.gz PAMPSJGDDBLZDE-FVJLSDCUSA-N 2 1 357.498 2.933 20 30 FFEDMP C=CC[C@@]1(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCC[NH2+]1 ZINC000662739487 973869606 /nfs/dbraw/zinc/86/96/06/973869606.db2.gz PAMPSJGDDBLZDE-FVJLSDCUSA-N 2 1 357.498 2.933 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758505 976912108 /nfs/dbraw/zinc/91/21/08/976912108.db2.gz AEGWBDYOITYHET-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758505 976912121 /nfs/dbraw/zinc/91/21/21/976912121.db2.gz AEGWBDYOITYHET-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758505 976912131 /nfs/dbraw/zinc/91/21/31/976912131.db2.gz AEGWBDYOITYHET-KREFBHGWSA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443527 977592109 /nfs/dbraw/zinc/59/21/09/977592109.db2.gz RBQKLKJZHXEZLX-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443527 977592115 /nfs/dbraw/zinc/59/21/15/977592115.db2.gz RBQKLKJZHXEZLX-WOJBJXKFSA-N 2 1 352.482 2.742 20 30 FFEDMP N#Cc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915524 980880307 /nfs/dbraw/zinc/88/03/07/980880307.db2.gz JGWLHTOMSCCJDR-LJQANCHMSA-N 2 1 371.444 2.797 20 30 FFEDMP N#Cc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915524 980880310 /nfs/dbraw/zinc/88/03/10/980880310.db2.gz JGWLHTOMSCCJDR-LJQANCHMSA-N 2 1 371.444 2.797 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H]1C ZINC001088621519 981962394 /nfs/dbraw/zinc/96/23/94/981962394.db2.gz HLKSRNDPXCINFY-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621519 981962399 /nfs/dbraw/zinc/96/23/99/981962399.db2.gz HLKSRNDPXCINFY-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621519 981962406 /nfs/dbraw/zinc/96/24/06/981962406.db2.gz HLKSRNDPXCINFY-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621519 981962410 /nfs/dbraw/zinc/96/24/10/981962410.db2.gz HLKSRNDPXCINFY-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088621519 981962418 /nfs/dbraw/zinc/96/24/18/981962418.db2.gz HLKSRNDPXCINFY-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000170906020 985171398 /nfs/dbraw/zinc/17/13/98/985171398.db2.gz LAWXNPYGTLPFKW-MRXNPFEDSA-N 2 1 352.482 2.546 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000170906020 985171407 /nfs/dbraw/zinc/17/14/07/985171407.db2.gz LAWXNPYGTLPFKW-MRXNPFEDSA-N 2 1 352.482 2.546 20 30 FFEDMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897634 985364627 /nfs/dbraw/zinc/36/46/27/985364627.db2.gz QWZWZDRAZFUHPL-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897634 985364636 /nfs/dbraw/zinc/36/46/36/985364636.db2.gz QWZWZDRAZFUHPL-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897634 985364651 /nfs/dbraw/zinc/36/46/51/985364651.db2.gz QWZWZDRAZFUHPL-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088897634 985364663 /nfs/dbraw/zinc/36/46/63/985364663.db2.gz QWZWZDRAZFUHPL-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000997794294 985748258 /nfs/dbraw/zinc/74/82/58/985748258.db2.gz ZAVMWLLVFBHFBR-LEWJYISDSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001095920319 1015386652 /nfs/dbraw/zinc/38/66/52/1015386652.db2.gz RNFUXSSAMMAGKA-JDCPMNFLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001095920319 1015386664 /nfs/dbraw/zinc/38/66/64/1015386664.db2.gz RNFUXSSAMMAGKA-JDCPMNFLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001095920319 1015386675 /nfs/dbraw/zinc/38/66/75/1015386675.db2.gz RNFUXSSAMMAGKA-JDCPMNFLSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001033837982 989752437 /nfs/dbraw/zinc/75/24/37/989752437.db2.gz LQOQQHXYXOLAGF-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001033837982 989752442 /nfs/dbraw/zinc/75/24/42/989752442.db2.gz LQOQQHXYXOLAGF-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001033837982 989752449 /nfs/dbraw/zinc/75/24/49/989752449.db2.gz LQOQQHXYXOLAGF-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001033837982 989752455 /nfs/dbraw/zinc/75/24/55/989752455.db2.gz LQOQQHXYXOLAGF-PCCBWWKXSA-N 2 1 368.525 2.711 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335288 991073807 /nfs/dbraw/zinc/07/38/07/991073807.db2.gz KRZQWCWOZFBNKP-RTBURBONSA-N 2 1 362.514 2.627 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079149818 991812854 /nfs/dbraw/zinc/81/28/54/991812854.db2.gz NJYOFMYVOCXCRA-ZCNNSNEGSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001079296630 991982589 /nfs/dbraw/zinc/98/25/89/991982589.db2.gz KOJKNUMLELULRW-DFQSSKMNSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1F ZINC001079321741 991997582 /nfs/dbraw/zinc/99/75/82/991997582.db2.gz AGOSRKDAICQOQW-DFQSSKMNSA-N 2 1 359.489 2.770 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849773 992533128 /nfs/dbraw/zinc/53/31/28/992533128.db2.gz YIFIAALQNJACFZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849773 992533137 /nfs/dbraw/zinc/53/31/37/992533137.db2.gz YIFIAALQNJACFZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849773 992533146 /nfs/dbraw/zinc/53/31/46/992533146.db2.gz YIFIAALQNJACFZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001079849773 992533150 /nfs/dbraw/zinc/53/31/50/992533150.db2.gz YIFIAALQNJACFZ-CEMLEFRQSA-N 2 1 367.537 2.738 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CCOCc2ccccc2)CC1 ZINC000184647635 992906518 /nfs/dbraw/zinc/90/65/18/992906518.db2.gz BDNFAEQEGNPCBW-IBGZPJMESA-N 2 1 358.530 2.762 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1c1ccccc1 ZINC001081213621 993728449 /nfs/dbraw/zinc/72/84/49/993728449.db2.gz HPYMZWJSUUINFW-BHDDXSALSA-N 2 1 367.537 2.858 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082558405 994930281 /nfs/dbraw/zinc/93/02/81/994930281.db2.gz OTNXFWAAIJZJJG-DUXKGJEZSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001086701012 995329852 /nfs/dbraw/zinc/32/98/52/995329852.db2.gz YCIYCMQLTKWLSE-JSXRDJHFSA-N 2 1 368.525 2.663 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000730105683 996854364 /nfs/dbraw/zinc/85/43/64/996854364.db2.gz LZCLFLHAZJRGFX-IPJJNNNSSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000730105683 996854372 /nfs/dbraw/zinc/85/43/72/996854372.db2.gz LZCLFLHAZJRGFX-IPJJNNNSSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730106019 996854478 /nfs/dbraw/zinc/85/44/78/996854478.db2.gz VQZZLKGMXAIHRJ-IPJJNNNSSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730106019 996854490 /nfs/dbraw/zinc/85/44/90/996854490.db2.gz VQZZLKGMXAIHRJ-IPJJNNNSSA-N 2 1 367.537 2.878 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957775 998355548 /nfs/dbraw/zinc/35/55/48/998355548.db2.gz WKUGTKLFXLLZSH-KURKYZTESA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957775 998355560 /nfs/dbraw/zinc/35/55/60/998355560.db2.gz WKUGTKLFXLLZSH-KURKYZTESA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957775 998355574 /nfs/dbraw/zinc/35/55/74/998355574.db2.gz WKUGTKLFXLLZSH-KURKYZTESA-N 2 1 353.938 2.640 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957775 998355591 /nfs/dbraw/zinc/35/55/91/998355591.db2.gz WKUGTKLFXLLZSH-KURKYZTESA-N 2 1 353.938 2.640 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C)[C@H]2C1 ZINC001084961017 998388198 /nfs/dbraw/zinc/38/81/98/998388198.db2.gz GCRRNIYTULWOMM-HJNYFJLDSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C)[C@H]2C1 ZINC001084961017 998388209 /nfs/dbraw/zinc/38/82/09/998388209.db2.gz GCRRNIYTULWOMM-HJNYFJLDSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccccc3C)[C@H]2C1 ZINC001084961017 998388220 /nfs/dbraw/zinc/38/82/20/998388220.db2.gz GCRRNIYTULWOMM-HJNYFJLDSA-N 2 1 365.521 2.515 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](Cc3ccccc3C)[C@H]2C1 ZINC001084961017 998388230 /nfs/dbraw/zinc/38/82/30/998388230.db2.gz GCRRNIYTULWOMM-HJNYFJLDSA-N 2 1 365.521 2.515 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085217820 999185318 /nfs/dbraw/zinc/18/53/18/999185318.db2.gz SEQPECYYQIRKIG-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001085250504 999257328 /nfs/dbraw/zinc/25/73/28/999257328.db2.gz WSZJBUSCJODUKJ-RBSFLKMASA-N 2 1 350.894 2.593 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085332038 999373905 /nfs/dbraw/zinc/37/39/05/999373905.db2.gz IRFFLACJWPIJQI-NSISKUIASA-N 2 1 354.498 2.560 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085332451 999378187 /nfs/dbraw/zinc/37/81/87/999378187.db2.gz YWCQJEHWUAFXBM-BMGDILEWSA-N 2 1 360.527 2.621 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085432566 999517592 /nfs/dbraw/zinc/51/75/92/999517592.db2.gz FECFQPKFGVGTDB-NJYVYQBISA-N 2 1 368.525 2.950 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001109418820 1000410538 /nfs/dbraw/zinc/41/05/38/1000410538.db2.gz CZIGATBUWFQBFS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001109418820 1000410541 /nfs/dbraw/zinc/41/05/41/1000410541.db2.gz CZIGATBUWFQBFS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109418820 1000410543 /nfs/dbraw/zinc/41/05/43/1000410543.db2.gz CZIGATBUWFQBFS-CGXNFDGLSA-N 2 1 366.509 2.654 20 30 FFEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001112552557 1001462890 /nfs/dbraw/zinc/46/28/90/1001462890.db2.gz CXJTTYOKCCTQKK-RXVVDRJESA-N 2 1 365.481 2.675 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001112562405 1001481216 /nfs/dbraw/zinc/48/12/16/1001481216.db2.gz WAQHWGVFFSSOBE-XJUOHMSHSA-N 2 1 367.537 2.921 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807968 1001874128 /nfs/dbraw/zinc/87/41/28/1001874128.db2.gz VURJEIGZVVZEIC-BEFAXECRSA-N 2 1 358.873 2.789 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807968 1001874146 /nfs/dbraw/zinc/87/41/46/1001874146.db2.gz VURJEIGZVVZEIC-BEFAXECRSA-N 2 1 358.873 2.789 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001183044534 1002131372 /nfs/dbraw/zinc/13/13/72/1002131372.db2.gz JKUITBBCSYUNHG-UHFFFAOYSA-N 2 1 359.489 2.901 20 30 FFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086592027 1002522743 /nfs/dbraw/zinc/52/27/43/1002522743.db2.gz RTOSIFDXZGONKF-PCCBWWKXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086592027 1002522753 /nfs/dbraw/zinc/52/27/53/1002522753.db2.gz RTOSIFDXZGONKF-PCCBWWKXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086592027 1002522766 /nfs/dbraw/zinc/52/27/66/1002522766.db2.gz RTOSIFDXZGONKF-PCCBWWKXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001183426 1016685653 /nfs/dbraw/zinc/68/56/53/1016685653.db2.gz WCPOSMOEOWVJQD-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001183426 1016685658 /nfs/dbraw/zinc/68/56/58/1016685658.db2.gz WCPOSMOEOWVJQD-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001183426 1016685668 /nfs/dbraw/zinc/68/56/68/1016685668.db2.gz WCPOSMOEOWVJQD-RTWAWAEBSA-N 2 1 353.510 2.656 20 30 FFEDMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170528948 1004641421 /nfs/dbraw/zinc/64/14/21/1004641421.db2.gz DUHSOELFTPPABD-WTGUMLROSA-N 2 1 355.482 2.972 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001488891090 1005372127 /nfs/dbraw/zinc/37/21/27/1005372127.db2.gz AWLGXHKSQMGAMI-PWRODBHTSA-N 2 1 355.526 2.877 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086720954 1006258071 /nfs/dbraw/zinc/25/80/71/1006258071.db2.gz XSCRWLSJMLVIDU-HBMCJLEFSA-N 2 1 359.558 2.929 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086720954 1006258081 /nfs/dbraw/zinc/25/80/81/1006258081.db2.gz XSCRWLSJMLVIDU-HBMCJLEFSA-N 2 1 359.558 2.929 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001110684279 1006828669 /nfs/dbraw/zinc/82/86/69/1006828669.db2.gz CZIGATBUWFQBFS-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110684279 1006828684 /nfs/dbraw/zinc/82/86/84/1006828684.db2.gz CZIGATBUWFQBFS-NCYKPQTJSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21)[NH+](CC)CC ZINC001189110798 1006889384 /nfs/dbraw/zinc/88/93/84/1006889384.db2.gz SXJRXUYUSVZQPQ-PWRODBHTSA-N 2 1 368.525 2.711 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086808788 1007673132 /nfs/dbraw/zinc/67/31/32/1007673132.db2.gz BDEQANYYMPLCMS-KCLUMXDGSA-N 2 1 355.526 2.782 20 30 FFEDMP C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000859443523 1008514910 /nfs/dbraw/zinc/51/49/10/1008514910.db2.gz JZMOBCOVNYYVSS-SFHVURJKSA-N 2 1 356.514 2.665 20 30 FFEDMP CCN1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172039094 1011601787 /nfs/dbraw/zinc/60/17/87/1011601787.db2.gz PAAYYGZUYBOCAY-UFYCRDLUSA-N 2 1 354.498 2.641 20 30 FFEDMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001172253656 1011727825 /nfs/dbraw/zinc/72/78/25/1011727825.db2.gz YXPKDRGLIQVLLX-NRFANRHFSA-N 2 1 357.498 2.902 20 30 FFEDMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001172253656 1011727837 /nfs/dbraw/zinc/72/78/37/1011727837.db2.gz YXPKDRGLIQVLLX-NRFANRHFSA-N 2 1 357.498 2.902 20 30 FFEDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313235 1011743720 /nfs/dbraw/zinc/74/37/20/1011743720.db2.gz SFXIMEOSGSPXTJ-PXNSSMCTSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)C1 ZINC001172313235 1011743731 /nfs/dbraw/zinc/74/37/31/1011743731.db2.gz SFXIMEOSGSPXTJ-PXNSSMCTSA-N 2 1 369.509 2.839 20 30 FFEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NCCc3ccccc3)c2)CCO1 ZINC000303865886 1012473918 /nfs/dbraw/zinc/47/39/18/1012473918.db2.gz BVTSACGSRFRVJW-SFHVURJKSA-N 2 1 366.509 2.554 20 30 FFEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NCCc3ccccc3)c2)CCO1 ZINC000303865886 1012473921 /nfs/dbraw/zinc/47/39/21/1012473921.db2.gz BVTSACGSRFRVJW-SFHVURJKSA-N 2 1 366.509 2.554 20 30 FFEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC001173429015 1012589622 /nfs/dbraw/zinc/58/96/22/1012589622.db2.gz PYOJBAKWUDHOBZ-UWJYYQICSA-N 2 1 368.525 2.871 20 30 FFEDMP CCc1cccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000304805975 1012882185 /nfs/dbraw/zinc/88/21/85/1012882185.db2.gz RSYWELVUEWWXRR-UHFFFAOYSA-N 2 1 357.546 2.926 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001052395772 1017396412 /nfs/dbraw/zinc/39/64/12/1017396412.db2.gz ZVRHEININBJYNO-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001052395772 1017396425 /nfs/dbraw/zinc/39/64/25/1017396425.db2.gz ZVRHEININBJYNO-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC[NH+]1C ZINC001052395772 1017396436 /nfs/dbraw/zinc/39/64/36/1017396436.db2.gz ZVRHEININBJYNO-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097853120 1018027668 /nfs/dbraw/zinc/02/76/68/1018027668.db2.gz JFGFPFKNEURGPA-WWNBULGVSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097853120 1018027675 /nfs/dbraw/zinc/02/76/75/1018027675.db2.gz JFGFPFKNEURGPA-WWNBULGVSA-N 2 1 351.510 2.887 20 30 FFEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097853120 1018027683 /nfs/dbraw/zinc/02/76/83/1018027683.db2.gz JFGFPFKNEURGPA-WWNBULGVSA-N 2 1 351.510 2.887 20 30 FFEDMP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047242028 1019053287 /nfs/dbraw/zinc/05/32/87/1019053287.db2.gz QOQBSSDVWHGRLP-QHAWAJNXSA-N 2 1 359.558 2.691 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC2CCCC2)C3)CC1 ZINC001099174289 1021999668 /nfs/dbraw/zinc/99/96/68/1021999668.db2.gz GMDLUIMIBOREHQ-GMAHTHKFSA-N 2 1 371.569 2.883 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001099448503 1022543084 /nfs/dbraw/zinc/54/30/84/1022543084.db2.gz QDBDHPLTUBKJPU-FUDKSRODSA-N 2 1 371.569 2.883 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001099448503 1022543093 /nfs/dbraw/zinc/54/30/93/1022543093.db2.gz QDBDHPLTUBKJPU-FUDKSRODSA-N 2 1 371.569 2.883 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298064 1023302709 /nfs/dbraw/zinc/30/27/09/1023302709.db2.gz FGTOGXHLQHFFBN-TZIWHRDSSA-N 2 1 367.537 2.749 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000754739923 1023511229 /nfs/dbraw/zinc/51/12/29/1023511229.db2.gz GVENMCGSGZVZCT-YSIASYRMSA-N 2 1 360.498 2.813 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001111303815 1023706478 /nfs/dbraw/zinc/70/64/78/1023706478.db2.gz ANFHAXWVIYCHMY-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001111303815 1023706480 /nfs/dbraw/zinc/70/64/80/1023706480.db2.gz ANFHAXWVIYCHMY-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111303815 1023706482 /nfs/dbraw/zinc/70/64/82/1023706482.db2.gz ANFHAXWVIYCHMY-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001111303815 1023706486 /nfs/dbraw/zinc/70/64/86/1023706486.db2.gz ANFHAXWVIYCHMY-RLLQIKCJSA-N 2 1 372.488 2.651 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121495118 1023810387 /nfs/dbraw/zinc/81/03/87/1023810387.db2.gz CELGLPPTEQQBMJ-MOPGFXCFSA-N 2 1 372.561 2.586 20 30 FFEDMP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1 ZINC001218457201 1033164286 /nfs/dbraw/zinc/16/42/86/1033164286.db2.gz IIGSQXMYOQIXQQ-IPMKNSEASA-N 2 1 360.498 2.974 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059412 1025378213 /nfs/dbraw/zinc/37/82/13/1025378213.db2.gz NZZGKVHLFAMTFH-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059412 1025378228 /nfs/dbraw/zinc/37/82/28/1025378228.db2.gz NZZGKVHLFAMTFH-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059412 1025378238 /nfs/dbraw/zinc/37/82/38/1025378238.db2.gz NZZGKVHLFAMTFH-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520912 1026199347 /nfs/dbraw/zinc/19/93/47/1026199347.db2.gz HQWZUABCZXUDMH-HZPDHXFCSA-N 2 1 362.543 2.536 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC001141573239 1026595754 /nfs/dbraw/zinc/59/57/54/1026595754.db2.gz RNMDSOARMDMWFC-GOSISDBHSA-N 2 1 373.545 2.829 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC001141573239 1026595760 /nfs/dbraw/zinc/59/57/60/1026595760.db2.gz RNMDSOARMDMWFC-GOSISDBHSA-N 2 1 373.545 2.829 20 30 FFEDMP Cc1ccc2nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c(C#N)c(Cl)c2c1 ZINC001155391255 1028718357 /nfs/dbraw/zinc/71/83/57/1028718357.db2.gz MWKMWQOOQLBVSG-OAHLLOKOSA-N 2 1 369.900 2.928 20 30 FFEDMP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001155943912 1028985482 /nfs/dbraw/zinc/98/54/82/1028985482.db2.gz HOUFMQGBWILDTN-UHFFFAOYSA-N 2 1 368.481 2.540 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112117075 1030041445 /nfs/dbraw/zinc/04/14/45/1030041445.db2.gz PZHXZVIYWPMUPX-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410508 1030762990 /nfs/dbraw/zinc/76/29/90/1030762990.db2.gz BMLRRPKMYMMRDZ-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205408045 1031720036 /nfs/dbraw/zinc/72/00/36/1031720036.db2.gz RGKNDOCSMCQSHV-PWRODBHTSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCC(C)C)[C@H]3C2)CC1 ZINC001224227345 1033784633 /nfs/dbraw/zinc/78/46/33/1033784633.db2.gz IGXPHFGMUJDDKF-CTNGQTDRSA-N 2 1 359.558 2.691 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001220600766 1034282420 /nfs/dbraw/zinc/28/24/20/1034282420.db2.gz ULBRAMBYGSBEGB-ROUUACIJSA-N 2 1 350.551 2.857 20 30 FFEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001138661342 1034520313 /nfs/dbraw/zinc/52/03/13/1034520313.db2.gz UVHSDXJTVFRKRK-IFMALSPDSA-N 2 1 374.525 2.811 20 30 FFEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001138661342 1034520319 /nfs/dbraw/zinc/52/03/19/1034520319.db2.gz UVHSDXJTVFRKRK-IFMALSPDSA-N 2 1 374.525 2.811 20 30 FFEDMP C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001138661342 1034520327 /nfs/dbraw/zinc/52/03/27/1034520327.db2.gz UVHSDXJTVFRKRK-IFMALSPDSA-N 2 1 374.525 2.811 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001226890017 1034873640 /nfs/dbraw/zinc/87/36/40/1034873640.db2.gz FPLVAQAAOKSCFL-PWRODBHTSA-N 2 1 368.525 2.950 20 30 FFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588057 1034901225 /nfs/dbraw/zinc/90/12/25/1034901225.db2.gz RHRJUBQYIKYPPH-GUDVDZBRSA-N 2 1 353.526 2.945 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC001139769719 1035225311 /nfs/dbraw/zinc/22/53/11/1035225311.db2.gz OLOHWJPFORICLB-LJQANCHMSA-N 2 1 370.497 2.918 20 30 FFEDMP C#CCNC(=O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382380 1035373636 /nfs/dbraw/zinc/37/36/36/1035373636.db2.gz MATZARHXKREVCG-QFIPXVFZSA-N 2 1 367.537 2.749 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277734543 1036153741 /nfs/dbraw/zinc/15/37/41/1036153741.db2.gz JSAWJPXFIMGLEH-FPOVZHCZSA-N 2 1 367.578 2.584 20 30 FFEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001277735443 1036161316 /nfs/dbraw/zinc/16/13/16/1036161316.db2.gz SPSXFRGCOXTMRY-PZJWPPBQSA-N 2 1 367.578 2.726 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001228595030 1036194690 /nfs/dbraw/zinc/19/46/90/1036194690.db2.gz QUXUMFKDSSKTPC-IOMROCGXSA-N 2 1 371.500 2.679 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001277840958 1036969663 /nfs/dbraw/zinc/96/96/63/1036969663.db2.gz NJHDUWCXWIQMQV-CTNGQTDRSA-N 2 1 365.562 2.502 20 30 FFEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001278638390 1039359371 /nfs/dbraw/zinc/35/93/71/1039359371.db2.gz VMCYQVVBHDAQDZ-OAQYLSRUSA-N 2 1 358.505 2.937 20 30 FFEDMP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001252552800 1039595398 /nfs/dbraw/zinc/59/53/98/1039595398.db2.gz MLFCSYBUCFCKBB-AEFFLSMTSA-N 2 1 350.528 2.740 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001213925980 1041078339 /nfs/dbraw/zinc/07/83/39/1041078339.db2.gz ZSEXMWXNEWGOMX-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001213925980 1041078356 /nfs/dbraw/zinc/07/83/56/1041078356.db2.gz ZSEXMWXNEWGOMX-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001213925980 1041078370 /nfs/dbraw/zinc/07/83/70/1041078370.db2.gz ZSEXMWXNEWGOMX-GUDVDZBRSA-N 2 1 353.551 2.647 20 30 FFEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215774824 1041878453 /nfs/dbraw/zinc/87/84/53/1041878453.db2.gz YROVWOIQDXFLMV-FCEUIQTBSA-N 2 1 367.537 2.738 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001262977495 1042004596 /nfs/dbraw/zinc/00/45/96/1042004596.db2.gz HCQWSLILZOFZLM-UHOSZYNNSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001262977495 1042004603 /nfs/dbraw/zinc/00/46/03/1042004603.db2.gz HCQWSLILZOFZLM-UHOSZYNNSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001262977495 1042004610 /nfs/dbraw/zinc/00/46/10/1042004610.db2.gz HCQWSLILZOFZLM-UHOSZYNNSA-N 2 1 370.545 2.684 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001262977495 1042004615 /nfs/dbraw/zinc/00/46/15/1042004615.db2.gz HCQWSLILZOFZLM-UHOSZYNNSA-N 2 1 370.545 2.684 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1 ZINC001279596369 1043314348 /nfs/dbraw/zinc/31/43/48/1043314348.db2.gz UVZPRSZTFQDQFA-UHFFFAOYSA-N 2 1 355.526 2.548 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)cc1 ZINC001279596369 1043314357 /nfs/dbraw/zinc/31/43/57/1043314357.db2.gz UVZPRSZTFQDQFA-UHFFFAOYSA-N 2 1 355.526 2.548 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1O ZINC001279604339 1043326924 /nfs/dbraw/zinc/32/69/24/1043326924.db2.gz JGEQYRNUFBRCME-UHFFFAOYSA-N 2 1 357.542 2.970 20 30 FFEDMP C=CCc1cccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1O ZINC001279604339 1043326932 /nfs/dbraw/zinc/32/69/32/1043326932.db2.gz JGEQYRNUFBRCME-UHFFFAOYSA-N 2 1 357.542 2.970 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC001278176526 1043484670 /nfs/dbraw/zinc/48/46/70/1043484670.db2.gz YEQIGVPZEOHZQW-QFIPXVFZSA-N 2 1 354.542 2.840 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238102792 1043535613 /nfs/dbraw/zinc/53/56/13/1043535613.db2.gz IMELIXQCQLUPKI-FQEVSTJZSA-N 2 1 354.454 2.945 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238102792 1043535623 /nfs/dbraw/zinc/53/56/23/1043535623.db2.gz IMELIXQCQLUPKI-FQEVSTJZSA-N 2 1 354.454 2.945 20 30 FFEDMP C=CCCCCC[NH+]1CC2(C1)CC[C@H](C(=O)N(C)CC[NH+](CC)CC)O2 ZINC001279829334 1043730804 /nfs/dbraw/zinc/73/08/04/1043730804.db2.gz YPWKMJNPFSSRID-LJQANCHMSA-N 2 1 365.562 2.766 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001316756736 1044912110 /nfs/dbraw/zinc/91/21/10/1044912110.db2.gz IQYOQSOCYDZMBU-OTWHNJEPSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001316756736 1044912113 /nfs/dbraw/zinc/91/21/13/1044912113.db2.gz IQYOQSOCYDZMBU-OTWHNJEPSA-N 2 1 356.514 2.500 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(CC#N)n1 ZINC001325709755 1046618602 /nfs/dbraw/zinc/61/86/02/1046618602.db2.gz FMBPVSTZCSQIRE-UHFFFAOYSA-N 2 1 355.530 2.780 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OCC#N)cc3)CC2)CC1 ZINC001326740742 1047061377 /nfs/dbraw/zinc/06/13/77/1047061377.db2.gz CRTHYKQNAQQWOQ-UHFFFAOYSA-N 2 1 370.497 2.724 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001345994575 1052699254 /nfs/dbraw/zinc/69/92/54/1052699254.db2.gz SDMWLWXZEUMYLK-IEBWSBKVSA-N 2 1 374.577 2.830 20 30 FFEDMP CC[N@@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC001335397514 1053335927 /nfs/dbraw/zinc/33/59/27/1053335927.db2.gz OMCFYOHSAMDJSL-IBGZPJMESA-N 2 1 351.535 2.692 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC001356609909 1055612110 /nfs/dbraw/zinc/61/21/10/1055612110.db2.gz GYJBNAPWJJPUIZ-OAHLLOKOSA-N 2 1 371.308 2.810 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001339067143 1056063837 /nfs/dbraw/zinc/06/38/37/1056063837.db2.gz CELGLPPTEQQBMJ-RTBURBONSA-N 2 1 372.561 2.586 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(OC)c1O ZINC001461349073 1061298074 /nfs/dbraw/zinc/29/80/74/1061298074.db2.gz YUTWMWZURBSPCW-RTBURBONSA-N 2 1 360.498 2.597 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001466255890 1063373693 /nfs/dbraw/zinc/37/36/93/1063373693.db2.gz ZVFXYDLCODTUHI-LAUBAEHRSA-N 2 1 372.557 2.957 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001466255890 1063373718 /nfs/dbraw/zinc/37/37/18/1063373718.db2.gz ZVFXYDLCODTUHI-LAUBAEHRSA-N 2 1 372.557 2.957 20 30 FFEDMP C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001575912396 1078177201 /nfs/dbraw/zinc/17/72/01/1078177201.db2.gz ASTLVKKILUEYRQ-IKGGRYGDSA-N 2 1 373.549 2.561 20 30 FFEDMP CCC[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001577377590 1078345205 /nfs/dbraw/zinc/34/52/05/1078345205.db2.gz RBYVWRGHYKBKLU-NRFANRHFSA-N 2 1 353.510 2.503 20 30 FFEDMP CCCC[N@@H+](C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001577445579 1078361312 /nfs/dbraw/zinc/36/13/12/1078361312.db2.gz ZNSAUGVHDFCDCL-PXNSSMCTSA-N 2 1 373.549 2.565 20 30 FFEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCO1 ZINC000277947967 256259729 /nfs/dbraw/zinc/25/97/29/256259729.db2.gz RIOQUMXYGPKJSF-QGZVFWFLSA-N 2 1 367.497 2.549 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710663 507947308 /nfs/dbraw/zinc/94/73/08/507947308.db2.gz WUYOOWMPLVPGCB-NXEWRWPSSA-N 2 1 362.562 3.000 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710660 507947318 /nfs/dbraw/zinc/94/73/18/507947318.db2.gz WUYOOWMPLVPGCB-RAFMOHDBSA-N 2 1 362.562 3.000 20 30 FFEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000116792727 508562578 /nfs/dbraw/zinc/56/25/78/508562578.db2.gz JSIDNVXAOOOADQ-QFIPXVFZSA-N 2 1 368.525 2.639 20 30 FFEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000116792727 508562580 /nfs/dbraw/zinc/56/25/80/508562580.db2.gz JSIDNVXAOOOADQ-QFIPXVFZSA-N 2 1 368.525 2.639 20 30 FFEDMP C[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1ccnc1 ZINC000129336717 508714512 /nfs/dbraw/zinc/71/45/12/508714512.db2.gz NHLPPVCPTJANAW-IMJJTQAJSA-N 2 1 355.467 2.505 20 30 FFEDMP C[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1ccnc1 ZINC000129336717 508714514 /nfs/dbraw/zinc/71/45/14/508714514.db2.gz NHLPPVCPTJANAW-IMJJTQAJSA-N 2 1 355.467 2.505 20 30 FFEDMP C=CCc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(OC)c1O ZINC000371468227 512420751 /nfs/dbraw/zinc/42/07/51/512420751.db2.gz AERSCHPIWHMQIS-GBESFXJTSA-N 2 1 360.498 2.813 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(OC)c1O ZINC000371468227 512420753 /nfs/dbraw/zinc/42/07/53/512420753.db2.gz AERSCHPIWHMQIS-GBESFXJTSA-N 2 1 360.498 2.813 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000130869234 508857989 /nfs/dbraw/zinc/85/79/89/508857989.db2.gz ODCSFXZXIBBCAY-INIZCTEOSA-N 2 1 371.460 2.988 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000130869234 508857992 /nfs/dbraw/zinc/85/79/92/508857992.db2.gz ODCSFXZXIBBCAY-INIZCTEOSA-N 2 1 371.460 2.988 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248396168 509292650 /nfs/dbraw/zinc/29/26/50/509292650.db2.gz JYWDNKGKURQAMI-XKPGHWPRSA-N 2 1 368.525 2.541 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248396168 509292660 /nfs/dbraw/zinc/29/26/60/509292660.db2.gz JYWDNKGKURQAMI-XKPGHWPRSA-N 2 1 368.525 2.541 20 30 FFEDMP C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677109 509300659 /nfs/dbraw/zinc/30/06/59/509300659.db2.gz WISYSNJIVOWVCQ-MSOLQXFVSA-N 2 1 360.546 2.914 20 30 FFEDMP C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677109 509300668 /nfs/dbraw/zinc/30/06/68/509300668.db2.gz WISYSNJIVOWVCQ-MSOLQXFVSA-N 2 1 360.546 2.914 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000173197228 509450578 /nfs/dbraw/zinc/45/05/78/509450578.db2.gz IKHGPRGWPGLKMP-FQEVSTJZSA-N 2 1 370.541 2.800 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)cc1OC ZINC000267470497 509503061 /nfs/dbraw/zinc/50/30/61/509503061.db2.gz XRQQJQPXJSFABH-UHFFFAOYSA-N 2 1 368.481 2.530 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)C[C@H](C)O1 ZINC000190730572 510312496 /nfs/dbraw/zinc/31/24/96/510312496.db2.gz GFRKVZWCIMWVCE-CALCHBBNSA-N 2 1 352.482 2.796 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000171700048 510315428 /nfs/dbraw/zinc/31/54/28/510315428.db2.gz JCCSJSJAXFSBQF-SFHVURJKSA-N 2 1 364.921 2.892 20 30 FFEDMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661104 510357379 /nfs/dbraw/zinc/35/73/79/510357379.db2.gz MXUWYHGWWNCAQF-GDBMZVCRSA-N 2 1 354.420 2.979 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246462833 510502078 /nfs/dbraw/zinc/50/20/78/510502078.db2.gz FPNMRSPQQFWZQW-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246462833 510502085 /nfs/dbraw/zinc/50/20/85/510502085.db2.gz FPNMRSPQQFWZQW-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246462833 510502093 /nfs/dbraw/zinc/50/20/93/510502093.db2.gz FPNMRSPQQFWZQW-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246462833 510502101 /nfs/dbraw/zinc/50/21/01/510502101.db2.gz FPNMRSPQQFWZQW-PXNSSMCTSA-N 2 1 352.482 2.836 20 30 FFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181692829 510542861 /nfs/dbraw/zinc/54/28/61/510542861.db2.gz NJZRFGWEDVYZQG-KRWDZBQOSA-N 3 1 351.498 2.954 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000172249613 510625669 /nfs/dbraw/zinc/62/56/69/510625669.db2.gz TUMCZASFGSJQKW-KRWDZBQOSA-N 2 1 372.513 2.852 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000175739818 510764317 /nfs/dbraw/zinc/76/43/17/510764317.db2.gz ILWIVEZYZGXERG-UHFFFAOYSA-N 2 1 362.493 2.597 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000330034886 510903618 /nfs/dbraw/zinc/90/36/18/510903618.db2.gz WWGKKDXSLKDVFW-UHFFFAOYSA-N 2 1 358.490 2.792 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000330034886 510903623 /nfs/dbraw/zinc/90/36/23/510903623.db2.gz WWGKKDXSLKDVFW-UHFFFAOYSA-N 2 1 358.490 2.792 20 30 FFEDMP C=CCN1CC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000280938317 511658905 /nfs/dbraw/zinc/65/89/05/511658905.db2.gz FMDVTTRIDUTDAQ-HXUWFJFHSA-N 2 1 356.514 2.663 20 30 FFEDMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329131621 511989730 /nfs/dbraw/zinc/98/97/30/511989730.db2.gz XXCLLMVDZFFZFB-KBPBESRZSA-N 2 1 351.520 2.699 20 30 FFEDMP C[C@H]1[C@H](C)N(C(=O)Nc2nc(CN3CCCCC3)cs2)CCN1C ZINC000329131621 511989734 /nfs/dbraw/zinc/98/97/34/511989734.db2.gz XXCLLMVDZFFZFB-KBPBESRZSA-N 2 1 351.520 2.699 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000370020223 512731312 /nfs/dbraw/zinc/73/13/12/512731312.db2.gz QLUSVUXTPSNFNQ-OAQYLSRUSA-N 2 1 353.510 2.645 20 30 FFEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179136 514407607 /nfs/dbraw/zinc/40/76/07/514407607.db2.gz XTETYCQOEZQLLO-SLFFLAALSA-N 2 1 354.498 2.521 20 30 FFEDMP Cc1nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000488131171 516127827 /nfs/dbraw/zinc/12/78/27/516127827.db2.gz YAIMUSMJELNFLY-UHFFFAOYSA-N 2 1 355.530 2.894 20 30 FFEDMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](CC)CC ZINC000522849319 516330518 /nfs/dbraw/zinc/33/05/18/516330518.db2.gz NXKSLTYDPWYSJJ-FQEVSTJZSA-N 2 1 356.514 2.713 20 30 FFEDMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)cc1 ZINC000543808088 516437834 /nfs/dbraw/zinc/43/78/34/516437834.db2.gz XQJNIMRVRSNKHL-UHFFFAOYSA-N 2 1 368.525 2.655 20 30 FFEDMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)cc1 ZINC000543808088 516437847 /nfs/dbraw/zinc/43/78/47/516437847.db2.gz XQJNIMRVRSNKHL-UHFFFAOYSA-N 2 1 368.525 2.655 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789793 516579648 /nfs/dbraw/zinc/57/96/48/516579648.db2.gz DYZWMHFBMDNHLY-RTBURBONSA-N 2 1 350.551 2.668 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)CCC(C)C)CC2)CC1 ZINC000519422452 516993696 /nfs/dbraw/zinc/99/36/96/516993696.db2.gz VVVPSMAKJAWEPN-UHFFFAOYSA-N 2 1 362.562 2.971 20 30 FFEDMP C=CC1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000533423704 517455202 /nfs/dbraw/zinc/45/52/02/517455202.db2.gz SVTGWKCYBGYCBY-UHFFFAOYSA-N 2 1 355.526 2.927 20 30 FFEDMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cn2)CC1 ZINC000533449304 517472300 /nfs/dbraw/zinc/47/23/00/517472300.db2.gz XTBDMSNLUOQOKN-UHFFFAOYSA-N 2 1 353.445 2.524 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000542267278 517474599 /nfs/dbraw/zinc/47/45/99/517474599.db2.gz URSXXUYGJHJPKC-RTBURBONSA-N 2 1 371.525 2.843 20 30 FFEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000579843456 518883537 /nfs/dbraw/zinc/88/35/37/518883537.db2.gz HWSQUUWBRUZPBM-IYBDPMFKSA-N 2 1 372.469 2.788 20 30 FFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000579843456 518883543 /nfs/dbraw/zinc/88/35/43/518883543.db2.gz HWSQUUWBRUZPBM-IYBDPMFKSA-N 2 1 372.469 2.788 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000566646576 519593589 /nfs/dbraw/zinc/59/35/89/519593589.db2.gz PEVCIFQABDLJCY-QZTJIDSGSA-N 2 1 351.535 2.907 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436631 519964495 /nfs/dbraw/zinc/96/44/95/519964495.db2.gz FDRPALFCZZYEDS-BWPNAZKDSA-N 2 1 356.514 2.670 20 30 FFEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000594441524 519967752 /nfs/dbraw/zinc/96/77/52/519967752.db2.gz SJCINPACNHNRBF-NRFANRHFSA-N 2 1 364.493 2.895 20 30 FFEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594501207 520004773 /nfs/dbraw/zinc/00/47/73/520004773.db2.gz WPXDDQKNDLGQGA-UHFFFAOYSA-N 2 1 356.514 2.520 20 30 FFEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600722528 520424581 /nfs/dbraw/zinc/42/45/81/520424581.db2.gz GULSDRZQABZPLU-RXVVDRJESA-N 2 1 371.525 2.873 20 30 FFEDMP CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658580 521371269 /nfs/dbraw/zinc/37/12/69/521371269.db2.gz CKFOVACJWMDSDB-UHFFFAOYSA-N 2 1 364.493 2.758 20 30 FFEDMP CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658580 521371273 /nfs/dbraw/zinc/37/12/73/521371273.db2.gz CKFOVACJWMDSDB-UHFFFAOYSA-N 2 1 364.493 2.758 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(C#N)n3)CC2)CC1 ZINC000602482623 521371584 /nfs/dbraw/zinc/37/15/84/521371584.db2.gz OQJNQDJNPTZCGZ-UHFFFAOYSA-N 2 1 355.530 2.581 20 30 FFEDMP Cc1cc(N2CCC([NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)nc(C)[nH+]1 ZINC000602590548 521427349 /nfs/dbraw/zinc/42/73/49/521427349.db2.gz WKGAGXKTNWENGU-MRXNPFEDSA-N 2 1 357.502 2.751 20 30 FFEDMP Cc1cc(N2CCC([NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)nc(C)[nH+]1 ZINC000602590547 521428059 /nfs/dbraw/zinc/42/80/59/521428059.db2.gz WKGAGXKTNWENGU-INIZCTEOSA-N 2 1 357.502 2.751 20 30 FFEDMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602599939 521433004 /nfs/dbraw/zinc/43/30/04/521433004.db2.gz CWZHBYHKNFJOFD-OALUTQOASA-N 2 1 354.498 2.521 20 30 FFEDMP CC(C)c1ccc(C#N)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684285 719607597 /nfs/dbraw/zinc/60/75/97/719607597.db2.gz OGNTUULWNSMJBO-UHFFFAOYSA-N 2 1 352.486 2.748 20 30 FFEDMP CC(C)c1ccc(C#N)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684285 719607603 /nfs/dbraw/zinc/60/76/03/719607603.db2.gz OGNTUULWNSMJBO-UHFFFAOYSA-N 2 1 352.486 2.748 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC[C@@]1(C)CCCO1 ZINC000154481317 728805229 /nfs/dbraw/zinc/80/52/29/728805229.db2.gz ADJWSRBOLXBZBG-VDZJLULYSA-N 2 1 364.559 2.865 20 30 FFEDMP C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083128873 728410429 /nfs/dbraw/zinc/41/04/29/728410429.db2.gz NFEFSJTYQIXWAW-OAHLLOKOSA-N 2 1 355.511 2.712 20 30 FFEDMP C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083128873 728410431 /nfs/dbraw/zinc/41/04/31/728410431.db2.gz NFEFSJTYQIXWAW-OAHLLOKOSA-N 2 1 355.511 2.712 20 30 FFEDMP C#Cc1cccc(NC(=S)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000726490562 734430754 /nfs/dbraw/zinc/43/07/54/734430754.db2.gz MTJDCUPPKZBEAA-LJQANCHMSA-N 2 1 358.555 2.713 20 30 FFEDMP FC1(F)[C@@H]2C[NH+](C[C@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530569 738298462 /nfs/dbraw/zinc/29/84/62/738298462.db2.gz GZAXBXRLZFACEY-DJLDLDEBSA-N 2 1 352.269 2.699 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037453 971963046 /nfs/dbraw/zinc/96/30/46/971963046.db2.gz NGXHKTAOQQXOHG-MSOLQXFVSA-N 2 1 365.481 2.627 20 30 FFEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079190 972349593 /nfs/dbraw/zinc/34/95/93/972349593.db2.gz LROIZBQHZPXQCH-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079190 972349598 /nfs/dbraw/zinc/34/95/98/972349598.db2.gz LROIZBQHZPXQCH-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079190 972349602 /nfs/dbraw/zinc/34/96/02/972349602.db2.gz LROIZBQHZPXQCH-AABGKKOBSA-N 2 1 355.526 2.735 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001104362910 964088233 /nfs/dbraw/zinc/08/82/33/964088233.db2.gz PEEDLKKIDGNLQE-TZIWHRDSSA-N 2 1 369.553 2.843 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650706442 967547561 /nfs/dbraw/zinc/54/75/61/967547561.db2.gz KUJFKYUQVRFOAF-FHWLQOOXSA-N 2 1 360.498 2.848 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087725546 968764327 /nfs/dbraw/zinc/76/43/27/968764327.db2.gz UCSFWXNKUPWTHL-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087725546 968764333 /nfs/dbraw/zinc/76/43/33/968764333.db2.gz UCSFWXNKUPWTHL-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087725546 968764338 /nfs/dbraw/zinc/76/43/38/968764338.db2.gz UCSFWXNKUPWTHL-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087725546 968764345 /nfs/dbraw/zinc/76/43/45/968764345.db2.gz UCSFWXNKUPWTHL-FHLIZLRMSA-N 2 1 360.527 2.573 20 30 FFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001104706273 970138303 /nfs/dbraw/zinc/13/83/03/970138303.db2.gz KDRCLDGIFRBCDG-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2CC)CC1 ZINC001087839923 970520797 /nfs/dbraw/zinc/52/07/97/970520797.db2.gz AGVUIPMVURHMPR-LEWJYISDSA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106759 972824290 /nfs/dbraw/zinc/82/42/90/972824290.db2.gz PLXYXOBXAPSDMO-UWVAXJGDSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106759 972824296 /nfs/dbraw/zinc/82/42/96/972824296.db2.gz PLXYXOBXAPSDMO-UWVAXJGDSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106759 972824307 /nfs/dbraw/zinc/82/43/07/972824307.db2.gz PLXYXOBXAPSDMO-UWVAXJGDSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765202 975152965 /nfs/dbraw/zinc/15/29/65/975152965.db2.gz YEHTYMUTZIOSNC-YXIAPDDASA-N 2 1 367.537 2.592 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765202 975152968 /nfs/dbraw/zinc/15/29/68/975152968.db2.gz YEHTYMUTZIOSNC-YXIAPDDASA-N 2 1 367.537 2.592 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765202 975152970 /nfs/dbraw/zinc/15/29/70/975152970.db2.gz YEHTYMUTZIOSNC-YXIAPDDASA-N 2 1 367.537 2.592 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758500 976910802 /nfs/dbraw/zinc/91/08/02/976910802.db2.gz AEGWBDYOITYHET-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758500 976910816 /nfs/dbraw/zinc/91/08/16/976910816.db2.gz AEGWBDYOITYHET-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ccc(C#N)cc2)CC3)CC[NH+]1C ZINC000990758500 976910821 /nfs/dbraw/zinc/91/08/21/976910821.db2.gz AEGWBDYOITYHET-ALOBAPJISA-N 2 1 366.509 2.512 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441838 977520201 /nfs/dbraw/zinc/52/02/01/977520201.db2.gz BGPHXHWRAAOLMV-WOJBJXKFSA-N 2 1 353.510 2.633 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877401 1014407029 /nfs/dbraw/zinc/40/70/29/1014407029.db2.gz UXARJDCWHFWZME-NNNWTRQLSA-N 2 1 366.509 2.609 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877401 1014407033 /nfs/dbraw/zinc/40/70/33/1014407033.db2.gz UXARJDCWHFWZME-NNNWTRQLSA-N 2 1 366.509 2.609 20 30 FFEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000261759018 978084269 /nfs/dbraw/zinc/08/42/69/978084269.db2.gz MTECWTGZISLOGO-HNAYVOBHSA-N 2 1 373.476 2.758 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087462817 978130222 /nfs/dbraw/zinc/13/02/22/978130222.db2.gz BBFVAYJCKSKNEI-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087462817 978130227 /nfs/dbraw/zinc/13/02/27/978130227.db2.gz BBFVAYJCKSKNEI-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087462817 978130230 /nfs/dbraw/zinc/13/02/30/978130230.db2.gz BBFVAYJCKSKNEI-AQNXPRMDSA-N 2 1 359.489 2.770 20 30 FFEDMP N#CCOc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1 ZINC001137118401 1014543696 /nfs/dbraw/zinc/54/36/96/1014543696.db2.gz WIEBLXCXMHTOSB-RTWAWAEBSA-N 2 1 362.477 2.938 20 30 FFEDMP N#CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001137118401 1014543703 /nfs/dbraw/zinc/54/37/03/1014543703.db2.gz WIEBLXCXMHTOSB-RTWAWAEBSA-N 2 1 362.477 2.938 20 30 FFEDMP N#CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001137118401 1014543712 /nfs/dbraw/zinc/54/37/12/1014543712.db2.gz WIEBLXCXMHTOSB-RTWAWAEBSA-N 2 1 362.477 2.938 20 30 FFEDMP N#CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001137118401 1014543720 /nfs/dbraw/zinc/54/37/20/1014543720.db2.gz WIEBLXCXMHTOSB-RTWAWAEBSA-N 2 1 362.477 2.938 20 30 FFEDMP N#CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001137118401 1014543729 /nfs/dbraw/zinc/54/37/29/1014543729.db2.gz WIEBLXCXMHTOSB-RTWAWAEBSA-N 2 1 362.477 2.938 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088563443 981120944 /nfs/dbraw/zinc/12/09/44/981120944.db2.gz QMOXUANNGVQFEB-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088563443 981120948 /nfs/dbraw/zinc/12/09/48/981120948.db2.gz QMOXUANNGVQFEB-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088563443 981120952 /nfs/dbraw/zinc/12/09/52/981120952.db2.gz QMOXUANNGVQFEB-LSTHTHJFSA-N 2 1 354.498 2.510 20 30 FFEDMP C=CCOC[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)Cc2nnn(CC3CC3)c21 ZINC001168322671 982904113 /nfs/dbraw/zinc/90/41/13/982904113.db2.gz VOFFKXAVLKSHPE-VIQWUECVSA-N 2 1 373.545 2.663 20 30 FFEDMP C=CCOC[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)Cc2nnn(CC3CC3)c21 ZINC001168322671 982904117 /nfs/dbraw/zinc/90/41/17/982904117.db2.gz VOFFKXAVLKSHPE-VIQWUECVSA-N 2 1 373.545 2.663 20 30 FFEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001107461844 984569743 /nfs/dbraw/zinc/56/97/43/984569743.db2.gz PJFNRQDTLOANDZ-TZIWHRDSSA-N 2 1 368.481 2.511 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550045 984667500 /nfs/dbraw/zinc/66/75/00/984667500.db2.gz LQFJKATWCBYSMS-UIFIKXQLSA-N 2 1 363.521 2.583 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550045 984667503 /nfs/dbraw/zinc/66/75/03/984667503.db2.gz LQFJKATWCBYSMS-UIFIKXQLSA-N 2 1 363.521 2.583 20 30 FFEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550045 984667505 /nfs/dbraw/zinc/66/75/05/984667505.db2.gz LQFJKATWCBYSMS-UIFIKXQLSA-N 2 1 363.521 2.583 20 30 FFEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000997102842 985128095 /nfs/dbraw/zinc/12/80/95/985128095.db2.gz YRGRYNAUPURPIQ-WOIUINJBSA-N 2 1 367.537 2.595 20 30 FFEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997316710 985357780 /nfs/dbraw/zinc/35/77/80/985357780.db2.gz URFGSMYDXPVWKN-QIJUGHKUSA-N 2 1 367.537 2.572 20 30 FFEDMP C[C@H]([NH+](C)Cc1cc(C#N)cc(C[N@H+](C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000878668001 1015160209 /nfs/dbraw/zinc/16/02/09/1015160209.db2.gz HVSKCTPQSOEDNZ-HOTGVXAUSA-N 2 1 361.530 2.741 20 30 FFEDMP N#Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000921711728 986837279 /nfs/dbraw/zinc/83/72/79/986837279.db2.gz NXQLUPCYBYCJPS-GOSISDBHSA-N 2 1 368.506 2.607 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495876 987767225 /nfs/dbraw/zinc/76/72/25/987767225.db2.gz RRCDKVOKBCXNQN-QXAKKESOSA-N 2 1 365.562 2.810 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495876 987767227 /nfs/dbraw/zinc/76/72/27/987767227.db2.gz RRCDKVOKBCXNQN-QXAKKESOSA-N 2 1 365.562 2.810 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495876 987767235 /nfs/dbraw/zinc/76/72/35/987767235.db2.gz RRCDKVOKBCXNQN-QXAKKESOSA-N 2 1 365.562 2.810 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001106266371 987791491 /nfs/dbraw/zinc/79/14/91/987791491.db2.gz GETXMYAEJVDWCA-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001106266371 987791495 /nfs/dbraw/zinc/79/14/95/987791495.db2.gz GETXMYAEJVDWCA-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C=CCc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc(OC)c1O ZINC000922388859 988534519 /nfs/dbraw/zinc/53/45/19/988534519.db2.gz RVMQLZJRTQHSNO-YHBROIRLSA-N 2 1 374.525 2.699 20 30 FFEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000763334301 989694719 /nfs/dbraw/zinc/69/47/19/989694719.db2.gz JUALWAMPKRBQGZ-LAUBAEHRSA-N 2 1 373.541 2.587 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cccc(F)c1 ZINC001079187754 991898560 /nfs/dbraw/zinc/89/85/60/991898560.db2.gz WZPNQPWOZWLCNS-OTWHNJEPSA-N 2 1 368.456 2.670 20 30 FFEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008608323 1015679315 /nfs/dbraw/zinc/67/93/15/1015679315.db2.gz DRWOKCPHIXZQLM-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008608323 1015679322 /nfs/dbraw/zinc/67/93/22/1015679322.db2.gz DRWOKCPHIXZQLM-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008608323 1015679325 /nfs/dbraw/zinc/67/93/25/1015679325.db2.gz DRWOKCPHIXZQLM-NJYVYQBISA-N 2 1 355.526 2.879 20 30 FFEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017333 992654326 /nfs/dbraw/zinc/65/43/26/992654326.db2.gz GEHZMBLTZBVORM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017333 992654330 /nfs/dbraw/zinc/65/43/30/992654330.db2.gz GEHZMBLTZBVORM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017333 992654333 /nfs/dbraw/zinc/65/43/33/992654333.db2.gz GEHZMBLTZBVORM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001080017333 992654337 /nfs/dbraw/zinc/65/43/37/992654337.db2.gz GEHZMBLTZBVORM-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311130 992944923 /nfs/dbraw/zinc/94/49/23/992944923.db2.gz SCFMGCMIQUERRU-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311130 992944929 /nfs/dbraw/zinc/94/49/29/992944929.db2.gz SCFMGCMIQUERRU-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311130 992944932 /nfs/dbraw/zinc/94/49/32/992944932.db2.gz SCFMGCMIQUERRU-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311130 992944939 /nfs/dbraw/zinc/94/49/39/992944939.db2.gz SCFMGCMIQUERRU-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1c1ccccc1 ZINC001081118432 993684602 /nfs/dbraw/zinc/68/46/02/993684602.db2.gz CQTONSZFTZOLAQ-YSIASYRMSA-N 2 1 364.493 2.614 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179745 993739531 /nfs/dbraw/zinc/73/95/31/993739531.db2.gz IEYWJDYRCLZJOE-ZYSHUDEJSA-N 2 1 361.917 2.665 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082612589 995089569 /nfs/dbraw/zinc/08/95/69/995089569.db2.gz VTESZUYGUHBNMR-UIFIKXQLSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(OCC(F)(F)F)cc[nH+]1 ZINC001171074556 997236913 /nfs/dbraw/zinc/23/69/13/997236913.db2.gz AHKZYVBYMUBEBD-ZDUSSCGKSA-N 2 1 361.364 2.661 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001084850170 997660004 /nfs/dbraw/zinc/66/00/04/997660004.db2.gz NKDYFMFAQJEIHK-VLCRHTCISA-N 2 1 365.521 2.626 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)ncc4C3)C[C@@H]21 ZINC001085032885 998733638 /nfs/dbraw/zinc/73/36/38/998733638.db2.gz HAHFHBIFXJKWIZ-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032885 998733641 /nfs/dbraw/zinc/73/36/41/998733641.db2.gz HAHFHBIFXJKWIZ-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085032885 998733644 /nfs/dbraw/zinc/73/36/44/998733644.db2.gz HAHFHBIFXJKWIZ-GGPKGHCWSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032973 998733763 /nfs/dbraw/zinc/73/37/63/998733763.db2.gz LFTXBVKVOFEXHX-GJYPPUQNSA-N 2 1 371.928 2.874 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032973 998733765 /nfs/dbraw/zinc/73/37/65/998733765.db2.gz LFTXBVKVOFEXHX-GJYPPUQNSA-N 2 1 371.928 2.874 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032973 998733768 /nfs/dbraw/zinc/73/37/68/998733768.db2.gz LFTXBVKVOFEXHX-GJYPPUQNSA-N 2 1 371.928 2.874 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085032973 998733773 /nfs/dbraw/zinc/73/37/73/998733773.db2.gz LFTXBVKVOFEXHX-GJYPPUQNSA-N 2 1 371.928 2.874 20 30 FFEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643508 1000766954 /nfs/dbraw/zinc/76/69/54/1000766954.db2.gz LGPQWOBPNMKGLT-FYQPLNBISA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109643508 1000766959 /nfs/dbraw/zinc/76/69/59/1000766959.db2.gz LGPQWOBPNMKGLT-FYQPLNBISA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109643508 1000766964 /nfs/dbraw/zinc/76/69/64/1000766964.db2.gz LGPQWOBPNMKGLT-FYQPLNBISA-N 2 1 365.562 2.788 20 30 FFEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109643508 1000766972 /nfs/dbraw/zinc/76/69/72/1000766972.db2.gz LGPQWOBPNMKGLT-FYQPLNBISA-N 2 1 365.562 2.788 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071156 1002369297 /nfs/dbraw/zinc/36/92/97/1002369297.db2.gz IREGMFUMCLVJFK-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071156 1002369308 /nfs/dbraw/zinc/36/93/08/1002369308.db2.gz IREGMFUMCLVJFK-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604541 1003213641 /nfs/dbraw/zinc/21/36/41/1003213641.db2.gz LUMLOTFMVFIWTM-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604541 1003213649 /nfs/dbraw/zinc/21/36/49/1003213649.db2.gz LUMLOTFMVFIWTM-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604541 1003213656 /nfs/dbraw/zinc/21/36/56/1003213656.db2.gz LUMLOTFMVFIWTM-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001186203530 1003221768 /nfs/dbraw/zinc/22/17/68/1003221768.db2.gz NJNYTJWJTOWNJI-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197722903 1004339186 /nfs/dbraw/zinc/33/91/86/1004339186.db2.gz BPDSNCAZHHXRTE-WOJBJXKFSA-N 2 1 367.578 2.796 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001488584928 1005362935 /nfs/dbraw/zinc/36/29/35/1005362935.db2.gz WVVLIMAUFWJSIL-HLIPFELVSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001488584928 1005362938 /nfs/dbraw/zinc/36/29/38/1005362938.db2.gz WVVLIMAUFWJSIL-HLIPFELVSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001488584928 1005362941 /nfs/dbraw/zinc/36/29/41/1005362941.db2.gz WVVLIMAUFWJSIL-HLIPFELVSA-N 2 1 351.510 2.698 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001489117647 1005413514 /nfs/dbraw/zinc/41/35/14/1005413514.db2.gz UASUKLSLMRERSH-QHAWAJNXSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489117647 1005413517 /nfs/dbraw/zinc/41/35/17/1005413517.db2.gz UASUKLSLMRERSH-QHAWAJNXSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489117647 1005413519 /nfs/dbraw/zinc/41/35/19/1005413519.db2.gz UASUKLSLMRERSH-QHAWAJNXSA-N 2 1 368.525 2.902 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107751 1006415827 /nfs/dbraw/zinc/41/58/27/1006415827.db2.gz XTQILXXGXURFAU-GBESFXJTSA-N 2 1 353.526 2.945 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(I)cc1C ZINC001202602500 1007101417 /nfs/dbraw/zinc/10/14/17/1007101417.db2.gz DAQAAKUJKCIUBJ-UHFFFAOYSA-N 2 1 370.278 2.953 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(I)cc1C ZINC001202602500 1007101423 /nfs/dbraw/zinc/10/14/23/1007101423.db2.gz DAQAAKUJKCIUBJ-UHFFFAOYSA-N 2 1 370.278 2.953 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759009 1008734917 /nfs/dbraw/zinc/73/49/17/1008734917.db2.gz JTHBIARIEFGNLG-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759009 1008734928 /nfs/dbraw/zinc/73/49/28/1008734928.db2.gz JTHBIARIEFGNLG-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759009 1008734941 /nfs/dbraw/zinc/73/49/41/1008734941.db2.gz JTHBIARIEFGNLG-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001177759009 1008734948 /nfs/dbraw/zinc/73/49/48/1008734948.db2.gz JTHBIARIEFGNLG-RTWAWAEBSA-N 2 1 365.521 2.503 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001178827561 1009142781 /nfs/dbraw/zinc/14/27/81/1009142781.db2.gz QYAGKBXFRYWOSW-UHFFFAOYSA-N 2 1 350.388 2.936 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001178827561 1009142790 /nfs/dbraw/zinc/14/27/90/1009142790.db2.gz QYAGKBXFRYWOSW-UHFFFAOYSA-N 2 1 350.388 2.936 20 30 FFEDMP C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCCN2CCOCC2)cc1 ZINC001180169796 1009586729 /nfs/dbraw/zinc/58/67/29/1009586729.db2.gz JRDLUIPFVKDWSJ-UHFFFAOYSA-N 2 1 365.477 2.901 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1Oc1cccc(F)c1 ZINC000104164957 1009930276 /nfs/dbraw/zinc/93/02/76/1009930276.db2.gz FWPAYCVZSAVVQQ-QGZVFWFLSA-N 2 1 371.460 2.902 20 30 FFEDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990415 1012159385 /nfs/dbraw/zinc/15/93/85/1012159385.db2.gz NVRMVOCVIDCPLK-SJORKVTESA-N 2 1 352.523 2.942 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000303788136 1012431769 /nfs/dbraw/zinc/43/17/69/1012431769.db2.gz TYGJTTPGVHRQBP-GHTZIAJQSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303788136 1012431778 /nfs/dbraw/zinc/43/17/78/1012431778.db2.gz TYGJTTPGVHRQBP-GHTZIAJQSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303788136 1012431786 /nfs/dbraw/zinc/43/17/86/1012431786.db2.gz TYGJTTPGVHRQBP-GHTZIAJQSA-N 3 1 371.573 2.950 20 30 FFEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000924719225 1017445988 /nfs/dbraw/zinc/44/59/88/1017445988.db2.gz ZKPNCQAISFBYAQ-QGZVFWFLSA-N 2 1 372.513 2.765 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)cc1 ZINC001222125169 1032769223 /nfs/dbraw/zinc/76/92/23/1032769223.db2.gz GQJOGXBMUPJQAB-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)cc1 ZINC001222125169 1032769228 /nfs/dbraw/zinc/76/92/28/1032769228.db2.gz GQJOGXBMUPJQAB-RXVVDRJESA-N 2 1 358.482 2.616 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001045439924 1019968743 /nfs/dbraw/zinc/96/87/43/1019968743.db2.gz BZDRHQNLDCABAQ-VQTJNVASSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(C#N)ccn1 ZINC000902832775 1020508873 /nfs/dbraw/zinc/50/88/73/1020508873.db2.gz PPVRDKQYDQDWGE-MRXNPFEDSA-N 2 1 350.466 2.761 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853811 1021102897 /nfs/dbraw/zinc/10/28/97/1021102897.db2.gz XIBXTCMVRIJMAA-HNNXBMFYSA-N 2 1 357.502 2.829 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853811 1021102901 /nfs/dbraw/zinc/10/29/01/1021102901.db2.gz XIBXTCMVRIJMAA-HNNXBMFYSA-N 2 1 357.502 2.829 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2=CCCCC2)C3)CC1 ZINC001099174562 1022002860 /nfs/dbraw/zinc/00/28/60/1022002860.db2.gz TWSZZOPRPCYNOU-GMAHTHKFSA-N 2 1 369.553 2.803 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001122631284 1023380128 /nfs/dbraw/zinc/38/01/28/1023380128.db2.gz PMDMYVNKHLBLOY-MOPGFXCFSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372700 1025839774 /nfs/dbraw/zinc/83/97/74/1025839774.db2.gz KZRRWAROEBZZIS-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372700 1025839786 /nfs/dbraw/zinc/83/97/86/1025839786.db2.gz KZRRWAROEBZZIS-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372700 1025839805 /nfs/dbraw/zinc/83/98/05/1025839805.db2.gz KZRRWAROEBZZIS-MBOZVWFJSA-N 2 1 353.526 2.849 20 30 FFEDMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](C)C ZINC001103111779 1026971542 /nfs/dbraw/zinc/97/15/42/1026971542.db2.gz OJMLPWYMQIJUBQ-UIFIKXQLSA-N 2 1 370.541 2.719 20 30 FFEDMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccc(C#N)cc1)C2)C1CCC1 ZINC001111779191 1029430055 /nfs/dbraw/zinc/43/00/55/1029430055.db2.gz YTSIWGPOVKYPRV-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2)C1CCC1 ZINC001111779191 1029430063 /nfs/dbraw/zinc/43/00/63/1029430063.db2.gz YTSIWGPOVKYPRV-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2)C1CCC1 ZINC001111779191 1029430071 /nfs/dbraw/zinc/43/00/71/1029430071.db2.gz YTSIWGPOVKYPRV-UGKGYDQZSA-N 2 1 366.509 2.513 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112117232 1030043134 /nfs/dbraw/zinc/04/31/34/1030043134.db2.gz XHQPOJSXKOAKSN-ARFHVFGLSA-N 2 1 361.452 2.806 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCC)C1 ZINC001112404115 1030751937 /nfs/dbraw/zinc/75/19/37/1030751937.db2.gz IBGHIOVMVFCXHH-ONTIZHBOSA-N 2 1 359.558 2.883 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCC)C1 ZINC001112404115 1030751949 /nfs/dbraw/zinc/75/19/49/1030751949.db2.gz IBGHIOVMVFCXHH-ONTIZHBOSA-N 2 1 359.558 2.883 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001203901279 1030969700 /nfs/dbraw/zinc/96/97/00/1030969700.db2.gz JZGMOMNYZIKEHR-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001203901279 1030969704 /nfs/dbraw/zinc/96/97/04/1030969704.db2.gz JZGMOMNYZIKEHR-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001203901279 1030969707 /nfs/dbraw/zinc/96/97/07/1030969707.db2.gz JZGMOMNYZIKEHR-FGZHOGPDSA-N 2 1 362.477 2.676 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205292605 1031653201 /nfs/dbraw/zinc/65/32/01/1031653201.db2.gz HOYYOTRFEIXXJJ-LEWJYISDSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCC)C1 ZINC001205415302 1031726430 /nfs/dbraw/zinc/72/64/30/1031726430.db2.gz NKXBUXYWWGALSB-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCC)C1 ZINC001205415302 1031726441 /nfs/dbraw/zinc/72/64/41/1031726441.db2.gz NKXBUXYWWGALSB-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205625735 1031883191 /nfs/dbraw/zinc/88/31/91/1031883191.db2.gz NUGFNIKGILMDRL-SLYNCCJLSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000829804582 1033348547 /nfs/dbraw/zinc/34/85/47/1033348547.db2.gz JJBJXZXGAITGJQ-GOSISDBHSA-N 2 1 371.550 2.909 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001220868142 1034438390 /nfs/dbraw/zinc/43/83/90/1034438390.db2.gz CIFOUBXLJWEGLM-OALUTQOASA-N 2 1 373.541 2.890 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936692 1035167537 /nfs/dbraw/zinc/16/75/37/1035167537.db2.gz PBVIFQJLZKILPJ-DUXKGJEZSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC001139872424 1035261842 /nfs/dbraw/zinc/26/18/42/1035261842.db2.gz HFBQKIZUAYFDIZ-UHFFFAOYSA-N 2 1 352.526 2.970 20 30 FFEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)cc1 ZINC001235320996 1037474741 /nfs/dbraw/zinc/47/47/41/1037474741.db2.gz NITIZJRRAPKCJI-NZQKXSOJSA-N 2 1 366.505 2.813 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208605773 1038441032 /nfs/dbraw/zinc/44/10/32/1038441032.db2.gz UUSQRSKHHXBJRR-GPMSIDNRSA-N 2 1 360.502 2.675 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208605773 1038441035 /nfs/dbraw/zinc/44/10/35/1038441035.db2.gz UUSQRSKHHXBJRR-GPMSIDNRSA-N 2 1 360.502 2.675 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001208755345 1038512659 /nfs/dbraw/zinc/51/26/59/1038512659.db2.gz YCVFMNPTBARMAE-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001208755345 1038512668 /nfs/dbraw/zinc/51/26/68/1038512668.db2.gz YCVFMNPTBARMAE-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001208755345 1038512678 /nfs/dbraw/zinc/51/26/78/1038512678.db2.gz YCVFMNPTBARMAE-AYWYSENESA-N 2 1 355.526 2.735 20 30 FFEDMP N#Cc1ccc(N2CCC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)CC2)nc1 ZINC001256861661 1038639012 /nfs/dbraw/zinc/63/90/12/1038639012.db2.gz UQXTXMSASMHRDP-UHFFFAOYSA-N 2 1 362.481 2.529 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001251528531 1039167098 /nfs/dbraw/zinc/16/70/98/1039167098.db2.gz PGIZWZWYIGPNMU-OAQYLSRUSA-N 2 1 370.541 2.638 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001251528531 1039167110 /nfs/dbraw/zinc/16/71/10/1039167110.db2.gz PGIZWZWYIGPNMU-OAQYLSRUSA-N 2 1 370.541 2.638 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001251528531 1039167120 /nfs/dbraw/zinc/16/71/20/1039167120.db2.gz PGIZWZWYIGPNMU-OAQYLSRUSA-N 2 1 370.541 2.638 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246306135 1039308609 /nfs/dbraw/zinc/30/86/09/1039308609.db2.gz UKZDDUIJHOKPHY-SJORKVTESA-N 2 1 362.470 2.553 20 30 FFEDMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246593736 1039407907 /nfs/dbraw/zinc/40/79/07/1039407907.db2.gz NMSZPTKGMGYQKO-NRFANRHFSA-N 2 1 354.498 2.614 20 30 FFEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618073 1039416962 /nfs/dbraw/zinc/41/69/62/1039416962.db2.gz JSCQVLCSRNWTBG-OMYXNUHHSA-N 2 1 356.489 2.555 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C#N)cc2CC)CC1 ZINC001248753201 1040396153 /nfs/dbraw/zinc/39/61/53/1040396153.db2.gz WRYUDQKENBJFOY-UHFFFAOYSA-N 2 1 352.526 2.912 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934281 1041086307 /nfs/dbraw/zinc/08/63/07/1041086307.db2.gz NTWJMUBDDKDUCY-AQNXPRMDSA-N 2 1 365.562 2.669 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001262568532 1041727244 /nfs/dbraw/zinc/72/72/44/1041727244.db2.gz YUJRYEAMHXKJGP-JXFKEZNVSA-N 2 1 364.917 2.856 20 30 FFEDMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001279232450 1042957632 /nfs/dbraw/zinc/95/76/32/1042957632.db2.gz CGHRIYXTSAYXJP-UHFFFAOYSA-N 2 1 357.498 2.857 20 30 FFEDMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001279232450 1042957633 /nfs/dbraw/zinc/95/76/33/1042957633.db2.gz CGHRIYXTSAYXJP-UHFFFAOYSA-N 2 1 357.498 2.857 20 30 FFEDMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(C#N)ccn1)CC2 ZINC001279606820 1043330098 /nfs/dbraw/zinc/33/00/98/1043330098.db2.gz ZAOOQAZLRJQXLV-UHFFFAOYSA-N 2 1 353.495 2.816 20 30 FFEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCC=CO2)CC3)cc1C#N ZINC001278141409 1043342378 /nfs/dbraw/zinc/34/23/78/1043342378.db2.gz YWKQMAYJVFHITK-FQEVSTJZSA-N 2 1 354.498 2.877 20 30 FFEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cccc(C#N)c3F)CC2)C1 ZINC001279761984 1043603229 /nfs/dbraw/zinc/60/32/29/1043603229.db2.gz ICLFVSRCGJUUME-UHFFFAOYSA-N 2 1 358.505 2.937 20 30 FFEDMP COc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C[NH+]2CCOCC2)c1 ZINC001240361482 1044322241 /nfs/dbraw/zinc/32/22/41/1044322241.db2.gz QRSDUNUJWOUKEG-UHFFFAOYSA-N 2 1 363.461 2.753 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280234423 1044438576 /nfs/dbraw/zinc/43/85/76/1044438576.db2.gz JDOLTWFJIYSEEM-WOIUINJBSA-N 2 1 357.542 2.821 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001318805081 1044884889 /nfs/dbraw/zinc/88/48/89/1044884889.db2.gz OVODZVJMCDTXID-DBXWQHBBSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](CC/C=C\CC)CC1 ZINC001324396065 1046004255 /nfs/dbraw/zinc/00/42/55/1046004255.db2.gz CPLKWXDHBAPMPJ-BRYSGOQDSA-N 2 1 359.558 2.999 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001283178342 1046350223 /nfs/dbraw/zinc/35/02/23/1046350223.db2.gz QVQUQUZRBDHNBA-FFZOFVMBSA-N 2 1 356.514 2.663 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001342917869 1051527383 /nfs/dbraw/zinc/52/73/83/1051527383.db2.gz DSAAVEXJOZWDTN-QGZVFWFLSA-N 2 1 360.550 2.584 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001316706954 1051761470 /nfs/dbraw/zinc/76/14/70/1051761470.db2.gz YNDSBGPJVDBOKD-CTNGQTDRSA-N 2 1 355.526 2.597 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001334860491 1053121915 /nfs/dbraw/zinc/12/19/15/1053121915.db2.gz YQPCGRKEAYFOGX-QHAWAJNXSA-N 2 1 355.526 2.911 20 30 FFEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528814 1058519003 /nfs/dbraw/zinc/51/90/03/1058519003.db2.gz BUBISWYUXVZLOG-GIWBLDEGSA-N 2 1 367.537 2.573 20 30 FFEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528814 1058519028 /nfs/dbraw/zinc/51/90/28/1058519028.db2.gz BUBISWYUXVZLOG-GIWBLDEGSA-N 2 1 367.537 2.573 20 30 FFEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528814 1058519043 /nfs/dbraw/zinc/51/90/43/1058519043.db2.gz BUBISWYUXVZLOG-GIWBLDEGSA-N 2 1 367.537 2.573 20 30 FFEDMP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001506179754 1059449576 /nfs/dbraw/zinc/44/95/76/1059449576.db2.gz VSVKHDIBEUOGOY-CEMLEFRQSA-N 2 1 369.553 2.841 20 30 FFEDMP C=CCc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(OC)c1O ZINC001461349064 1061298921 /nfs/dbraw/zinc/29/89/21/1061298921.db2.gz YUTWMWZURBSPCW-MOPGFXCFSA-N 2 1 360.498 2.597 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001477389387 1061686157 /nfs/dbraw/zinc/68/61/57/1061686157.db2.gz ABVDUBAJKBMRRO-IBGZPJMESA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001477389387 1061686166 /nfs/dbraw/zinc/68/61/66/1061686166.db2.gz ABVDUBAJKBMRRO-IBGZPJMESA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001477389387 1061686170 /nfs/dbraw/zinc/68/61/70/1061686170.db2.gz ABVDUBAJKBMRRO-IBGZPJMESA-N 2 1 370.541 2.815 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCC#CC[NH+](C)C)cc2)C1 ZINC001467605866 1063798248 /nfs/dbraw/zinc/79/82/48/1063798248.db2.gz IISMSMDYOANMPV-KDURUIRLSA-N 2 1 370.541 2.529 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](CC)C[C@H]1CC)C(C)C ZINC001467659849 1063809891 /nfs/dbraw/zinc/80/98/91/1063809891.db2.gz AKDBFYRJYGDXIH-MOPGFXCFSA-N 2 1 350.551 2.811 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC001583966277 1079290057 /nfs/dbraw/zinc/29/00/57/1079290057.db2.gz JGUBUMZOXRDRMV-HXUWFJFHSA-N 2 1 356.514 2.569 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001560313608 1076262877 /nfs/dbraw/zinc/26/28/77/1076262877.db2.gz IXTWDTXMEZTBLE-QGZVFWFLSA-N 2 1 355.523 2.546 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001564847987 1076664295 /nfs/dbraw/zinc/66/42/95/1076664295.db2.gz XSMXEGWARPYMLX-NRFANRHFSA-N 2 1 370.541 2.686 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001564847987 1076664297 /nfs/dbraw/zinc/66/42/97/1076664297.db2.gz XSMXEGWARPYMLX-NRFANRHFSA-N 2 1 370.541 2.686 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001564847987 1076664299 /nfs/dbraw/zinc/66/42/99/1076664299.db2.gz XSMXEGWARPYMLX-NRFANRHFSA-N 2 1 370.541 2.686 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001566014992 1076849002 /nfs/dbraw/zinc/84/90/02/1076849002.db2.gz PHZYVGOZTQLGJT-VQTJNVASSA-N 2 1 371.500 2.631 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001566014992 1076849005 /nfs/dbraw/zinc/84/90/05/1076849005.db2.gz PHZYVGOZTQLGJT-VQTJNVASSA-N 2 1 371.500 2.631 20 30 FFEDMP N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000272824835 252141041 /nfs/dbraw/zinc/14/10/41/252141041.db2.gz WVNKWHOPJPTPRK-FQEVSTJZSA-N 2 1 353.441 2.944 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000272824835 252141046 /nfs/dbraw/zinc/14/10/46/252141046.db2.gz WVNKWHOPJPTPRK-FQEVSTJZSA-N 2 1 353.441 2.944 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000272824835 252141049 /nfs/dbraw/zinc/14/10/49/252141049.db2.gz WVNKWHOPJPTPRK-FQEVSTJZSA-N 2 1 353.441 2.944 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066599317 506568234 /nfs/dbraw/zinc/56/82/34/506568234.db2.gz JIDKHSNEVKWSOH-LJQANCHMSA-N 2 1 350.551 2.981 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000089997058 507897407 /nfs/dbraw/zinc/89/74/07/507897407.db2.gz VRWWAYJLSUHXTE-MOPGFXCFSA-N 2 1 359.901 2.547 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000089997058 507897410 /nfs/dbraw/zinc/89/74/10/507897410.db2.gz VRWWAYJLSUHXTE-MOPGFXCFSA-N 2 1 359.901 2.547 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(SCC#N)c1 ZINC000079539058 507972728 /nfs/dbraw/zinc/97/27/28/507972728.db2.gz IWLWZSABUIOAID-SFHVURJKSA-N 2 1 374.554 2.790 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158772050 508750404 /nfs/dbraw/zinc/75/04/04/508750404.db2.gz FOFZHWSEDVKMHK-TZIWHRDSSA-N 2 1 368.525 2.966 20 30 FFEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159011912 508781098 /nfs/dbraw/zinc/78/10/98/508781098.db2.gz MHJAFZNRDPWVPJ-OALUTQOASA-N 2 1 362.562 2.971 20 30 FFEDMP CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264066360 509313563 /nfs/dbraw/zinc/31/35/63/509313563.db2.gz BJCSNBVOMPZLOE-QAPCUYQASA-N 2 1 359.518 2.560 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267348969 509460224 /nfs/dbraw/zinc/46/02/24/509460224.db2.gz PFPJIROLIXJHIW-NQIIRXRSSA-N 2 1 370.541 2.847 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249365279 509661551 /nfs/dbraw/zinc/66/15/51/509661551.db2.gz OITMZGQKRZWFFQ-PXNSSMCTSA-N 2 1 372.513 2.613 20 30 FFEDMP CN(CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978084 509886306 /nfs/dbraw/zinc/88/63/06/509886306.db2.gz KDCCGEYOZRJOGY-HXUWFJFHSA-N 2 1 362.477 2.951 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C[NH+](C)C)C3)sc2C1 ZINC000265182640 509907116 /nfs/dbraw/zinc/90/71/16/509907116.db2.gz WTMIVNTZHPITGH-CABCVRRESA-N 2 1 374.554 2.957 20 30 FFEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C[NH+](C)C)C3)sc2C1 ZINC000265182640 509907121 /nfs/dbraw/zinc/90/71/21/509907121.db2.gz WTMIVNTZHPITGH-CABCVRRESA-N 2 1 374.554 2.957 20 30 FFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000187025554 510013181 /nfs/dbraw/zinc/01/31/81/510013181.db2.gz UZHRNOKGSFQLFN-YLJYHZDGSA-N 2 1 372.513 2.613 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1CCc2ccccc2C1 ZINC000262206816 510209097 /nfs/dbraw/zinc/20/90/97/510209097.db2.gz JFXJEMRBEZQKQE-FQEVSTJZSA-N 2 1 374.492 2.798 20 30 FFEDMP C=C(C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000181293686 510342021 /nfs/dbraw/zinc/34/20/21/510342021.db2.gz RNYPUCUPQUUWSQ-FQEVSTJZSA-N 2 1 359.514 2.846 20 30 FFEDMP C=C(C)C[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000181293686 510342030 /nfs/dbraw/zinc/34/20/30/510342030.db2.gz RNYPUCUPQUUWSQ-FQEVSTJZSA-N 2 1 359.514 2.846 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184746596 510496788 /nfs/dbraw/zinc/49/67/88/510496788.db2.gz ZXTZTCHKVUIABH-QYZOEREBSA-N 2 1 370.541 2.741 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCc2ccccc2C1 ZINC000263228862 510620916 /nfs/dbraw/zinc/62/09/16/510620916.db2.gz HKBDKLVVEUNNEH-UHFFFAOYSA-N 2 1 360.465 2.709 20 30 FFEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246795072 510678249 /nfs/dbraw/zinc/67/82/49/510678249.db2.gz HZQWLASENRUZJL-IRXDYDNUSA-N 2 1 360.477 2.734 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291640 510765532 /nfs/dbraw/zinc/76/55/32/510765532.db2.gz LKMJUELNGCSKEM-GOSISDBHSA-N 2 1 352.482 2.622 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290469608 511141933 /nfs/dbraw/zinc/14/19/33/511141933.db2.gz NLSZZZHCHVVYSZ-UHFFFAOYSA-N 2 1 363.469 2.886 20 30 FFEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290469608 511141943 /nfs/dbraw/zinc/14/19/43/511141943.db2.gz NLSZZZHCHVVYSZ-UHFFFAOYSA-N 2 1 363.469 2.886 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897188 511763000 /nfs/dbraw/zinc/76/30/00/511763000.db2.gz GHTHHALPRKZWSU-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(OC)c1 ZINC000292897188 511763005 /nfs/dbraw/zinc/76/30/05/511763005.db2.gz GHTHHALPRKZWSU-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OC)c1 ZINC000292897188 511763018 /nfs/dbraw/zinc/76/30/18/511763018.db2.gz GHTHHALPRKZWSU-SIKLNZKXSA-N 2 1 374.525 2.581 20 30 FFEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328801407 511933957 /nfs/dbraw/zinc/93/39/57/511933957.db2.gz ZHEDCEUKVRFICD-JLMIFGBASA-N 2 1 360.546 2.723 20 30 FFEDMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3nc(CN4CCCCC4)cs3)[C@H]2C1 ZINC000329227085 512008365 /nfs/dbraw/zinc/00/83/65/512008365.db2.gz AVVCQHRDUOCSGV-HOCLYGCPSA-N 2 1 363.531 2.701 20 30 FFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331383 514096740 /nfs/dbraw/zinc/09/67/40/514096740.db2.gz QRLXMSBCZAEKBI-BZSNNMDCSA-N 2 1 361.555 2.973 20 30 FFEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000503183791 514946771 /nfs/dbraw/zinc/94/67/71/514946771.db2.gz WBXIHKUSYWFMKF-WOJBJXKFSA-N 2 1 356.514 2.665 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381288 516395524 /nfs/dbraw/zinc/39/55/24/516395524.db2.gz MCFKBKPICAMTAY-SBHAEUEKSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381288 516395529 /nfs/dbraw/zinc/39/55/29/516395529.db2.gz MCFKBKPICAMTAY-SBHAEUEKSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381288 516395538 /nfs/dbraw/zinc/39/55/38/516395538.db2.gz MCFKBKPICAMTAY-SBHAEUEKSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528381288 516395544 /nfs/dbraw/zinc/39/55/44/516395544.db2.gz MCFKBKPICAMTAY-SBHAEUEKSA-N 2 1 371.525 2.884 20 30 FFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000581879386 518483312 /nfs/dbraw/zinc/48/33/12/518483312.db2.gz HKZRXPHCKJXGKP-UHFFFAOYSA-N 2 1 371.506 2.573 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000564714805 518578309 /nfs/dbraw/zinc/57/83/09/518578309.db2.gz LMZINACSQCXBBE-UHFFFAOYSA-N 2 1 361.396 2.585 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1scc(C)c1C#N ZINC000565164138 518818909 /nfs/dbraw/zinc/81/89/09/518818909.db2.gz SRAJEILVDILDON-OAHLLOKOSA-N 2 1 363.531 2.808 20 30 FFEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000583018822 519037220 /nfs/dbraw/zinc/03/72/20/519037220.db2.gz XUEDYWBXGMUCAJ-LSTHTHJFSA-N 2 1 354.498 2.560 20 30 FFEDMP C=CCOc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000569120525 519388647 /nfs/dbraw/zinc/38/86/47/519388647.db2.gz JKEMNSMTWFSMHX-LJQANCHMSA-N 2 1 360.498 2.947 20 30 FFEDMP C[C@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725024 520427046 /nfs/dbraw/zinc/42/70/46/520427046.db2.gz AKEFRTCHARMUPH-UYAOXDASSA-N 2 1 359.514 2.558 20 30 FFEDMP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000599284416 521127501 /nfs/dbraw/zinc/12/75/01/521127501.db2.gz SVHJUGRUZWYFGG-UXHICEINSA-N 2 1 363.546 2.646 20 30 FFEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000599284418 521128008 /nfs/dbraw/zinc/12/80/08/521128008.db2.gz SVHJUGRUZWYFGG-WOJBJXKFSA-N 2 1 363.546 2.646 20 30 FFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602504039 521384436 /nfs/dbraw/zinc/38/44/36/521384436.db2.gz REZMJIXLPVHNGZ-SFHVURJKSA-N 2 1 357.498 2.707 20 30 FFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602596957 521430966 /nfs/dbraw/zinc/43/09/66/521430966.db2.gz OMQBSCRJCMFZLK-GHTZIAJQSA-N 2 1 371.525 2.832 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330312808 568233944 /nfs/dbraw/zinc/23/39/44/568233944.db2.gz WSZCZNDXECRWRZ-QLFBSQMISA-N 2 1 372.517 2.894 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330312808 568233945 /nfs/dbraw/zinc/23/39/45/568233945.db2.gz WSZCZNDXECRWRZ-QLFBSQMISA-N 2 1 372.517 2.894 20 30 FFEDMP C[NH+]=C(NCc1cc(F)ccc1SC)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262775259 729670882 /nfs/dbraw/zinc/67/08/82/729670882.db2.gz JTQCCDAPNSRCFK-IUODEOHRSA-N 2 1 350.507 2.838 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000876896793 732293679 /nfs/dbraw/zinc/29/36/79/732293679.db2.gz MVLIWUZFJLYONI-SFHVURJKSA-N 2 1 361.917 2.971 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000974600281 972047518 /nfs/dbraw/zinc/04/75/18/972047518.db2.gz PFTKKPZXDJNXSS-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000974600281 972047522 /nfs/dbraw/zinc/04/75/22/972047522.db2.gz PFTKKPZXDJNXSS-ZCNNSNEGSA-N 2 1 368.525 2.615 20 30 FFEDMP C[NH+](C)CCN1CCC2(CC[NH+](Cc3cccc(Cl)c3C#N)CC2)C1=O ZINC001275956772 1013228186 /nfs/dbraw/zinc/22/81/86/1013228186.db2.gz MJKODEHUPIDEIC-UHFFFAOYSA-N 2 1 374.916 2.588 20 30 FFEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001104294308 962377941 /nfs/dbraw/zinc/37/79/41/962377941.db2.gz IVPXFFSPVNNWQH-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000160634364 963180140 /nfs/dbraw/zinc/18/01/40/963180140.db2.gz NMXDZQGNBIASMW-BETUJISGSA-N 2 1 374.407 2.811 20 30 FFEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc2ccccc2c1 ZINC001270368840 965004278 /nfs/dbraw/zinc/00/42/78/965004278.db2.gz IYCUGLQFXDUUQP-FDFHNCONSA-N 2 1 363.505 2.950 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087175254 965097849 /nfs/dbraw/zinc/09/78/49/965097849.db2.gz DISAFDVNDNXZIY-UTKZUKDTSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087212647 966575773 /nfs/dbraw/zinc/57/57/73/966575773.db2.gz KMEHVGCEAVWTDQ-LQWHRVPQSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087235992 967457217 /nfs/dbraw/zinc/45/72/17/967457217.db2.gz CPOQUPSVLSDIEG-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024665313 969245544 /nfs/dbraw/zinc/24/55/44/969245544.db2.gz CNHSDGQYBCUITO-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024665313 969245552 /nfs/dbraw/zinc/24/55/52/969245552.db2.gz CNHSDGQYBCUITO-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001024665313 969245558 /nfs/dbraw/zinc/24/55/58/969245558.db2.gz CNHSDGQYBCUITO-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087840990 970532402 /nfs/dbraw/zinc/53/24/02/970532402.db2.gz XVRSULCANCSNCY-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087840990 970532407 /nfs/dbraw/zinc/53/24/07/970532407.db2.gz XVRSULCANCSNCY-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087840990 970532414 /nfs/dbraw/zinc/53/24/14/970532414.db2.gz XVRSULCANCSNCY-PWRODBHTSA-N 2 1 368.525 2.902 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115715 972889631 /nfs/dbraw/zinc/88/96/31/972889631.db2.gz KBGWDOKUOOAIDN-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115715 972889640 /nfs/dbraw/zinc/88/96/40/972889640.db2.gz KBGWDOKUOOAIDN-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115715 972889651 /nfs/dbraw/zinc/88/96/51/972889651.db2.gz KBGWDOKUOOAIDN-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088167399 973290569 /nfs/dbraw/zinc/29/05/69/973290569.db2.gz WVGCNVPTSMBGBH-DXIQSLLYSA-N 2 1 355.526 2.820 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262457646 973319337 /nfs/dbraw/zinc/31/93/37/973319337.db2.gz XAJBGNAAYLMKNE-WCIQWLHISA-N 2 1 370.541 2.630 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262457646 973319346 /nfs/dbraw/zinc/31/93/46/973319346.db2.gz XAJBGNAAYLMKNE-WCIQWLHISA-N 2 1 370.541 2.630 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001027418683 974403825 /nfs/dbraw/zinc/40/38/25/974403825.db2.gz HOAOUOCWKHCIFJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001027418683 974403828 /nfs/dbraw/zinc/40/38/28/974403828.db2.gz HOAOUOCWKHCIFJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001027418683 974403832 /nfs/dbraw/zinc/40/38/32/974403832.db2.gz HOAOUOCWKHCIFJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)CC[NH+]1C ZINC001027418683 974403835 /nfs/dbraw/zinc/40/38/35/974403835.db2.gz HOAOUOCWKHCIFJ-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000305796867 1014210858 /nfs/dbraw/zinc/21/08/58/1014210858.db2.gz AXHRJOZYDNFPHG-FXAWDEMLSA-N 2 1 360.546 2.872 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCC[C@@H]12 ZINC000990744505 976798248 /nfs/dbraw/zinc/79/82/48/976798248.db2.gz VBHNGDQQJSVYHD-JPAWQOSXSA-N 2 1 368.525 2.843 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709265 1014358012 /nfs/dbraw/zinc/35/80/12/1014358012.db2.gz NKTPUZGCYXFLFW-VXKWHMMOSA-N 2 1 374.488 2.698 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087453407 977760950 /nfs/dbraw/zinc/76/09/50/977760950.db2.gz RFYZELNUAACNRJ-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087453407 977760956 /nfs/dbraw/zinc/76/09/56/977760956.db2.gz RFYZELNUAACNRJ-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087453407 977760959 /nfs/dbraw/zinc/76/09/59/977760959.db2.gz RFYZELNUAACNRJ-VAMGGRTRSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459719 977981941 /nfs/dbraw/zinc/98/19/41/977981941.db2.gz SXKLXTIZMWZLHB-WOJBJXKFSA-N 2 1 371.500 2.772 20 30 FFEDMP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001105425610 979627985 /nfs/dbraw/zinc/62/79/85/979627985.db2.gz QRNBCEXZWZHCQD-NNXSRULWSA-N 2 1 367.537 2.546 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCC4CCCCC4)C[C@H]32)CC1 ZINC001076604442 979708027 /nfs/dbraw/zinc/70/80/27/979708027.db2.gz GATQDQVUEUHUFO-FCHUYYIVSA-N 2 1 371.569 2.835 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645978 1014659945 /nfs/dbraw/zinc/65/99/45/1014659945.db2.gz ZBWNKQDAFGREJA-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645978 1014659950 /nfs/dbraw/zinc/65/99/50/1014659950.db2.gz ZBWNKQDAFGREJA-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645978 1014659958 /nfs/dbraw/zinc/65/99/58/1014659958.db2.gz ZBWNKQDAFGREJA-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)ccn1 ZINC000877645978 1014659971 /nfs/dbraw/zinc/65/99/71/1014659971.db2.gz ZBWNKQDAFGREJA-OAQYLSRUSA-N 2 1 365.481 2.842 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088567574 981148312 /nfs/dbraw/zinc/14/83/12/981148312.db2.gz WPLIUAOIYCEJIA-XLIONFOSSA-N 2 1 368.525 2.902 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088567574 981148319 /nfs/dbraw/zinc/14/83/19/981148319.db2.gz WPLIUAOIYCEJIA-XLIONFOSSA-N 2 1 368.525 2.902 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126207129 981187304 /nfs/dbraw/zinc/18/73/04/981187304.db2.gz DGIXCBOAHWMPPS-FXAWDEMLSA-N 2 1 360.546 2.685 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(F)c(C#N)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579097 981291856 /nfs/dbraw/zinc/29/18/56/981291856.db2.gz NOBSZHLQSFXQQK-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088579097 981291861 /nfs/dbraw/zinc/29/18/61/981291861.db2.gz NOBSZHLQSFXQQK-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579097 981291867 /nfs/dbraw/zinc/29/18/67/981291867.db2.gz NOBSZHLQSFXQQK-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)CC[NH+]1C ZINC001088579097 981291872 /nfs/dbraw/zinc/29/18/72/981291872.db2.gz NOBSZHLQSFXQQK-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)CC[NH+]1C ZINC001088579097 981291876 /nfs/dbraw/zinc/29/18/76/981291876.db2.gz NOBSZHLQSFXQQK-PEFDPPPMSA-N 2 1 372.488 2.507 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088655645 982205747 /nfs/dbraw/zinc/20/57/47/982205747.db2.gz KFDHBWOUTFIMJI-XLIONFOSSA-N 2 1 366.509 2.513 20 30 FFEDMP C=CCOC[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)Cc2nnn(CC3CC3)c21 ZINC001168322670 982903976 /nfs/dbraw/zinc/90/39/76/982903976.db2.gz VOFFKXAVLKSHPE-LMDPOFIKSA-N 2 1 373.545 2.663 20 30 FFEDMP C=CCOC[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)Cc2nnn(CC3CC3)c21 ZINC001168322670 982903980 /nfs/dbraw/zinc/90/39/80/982903980.db2.gz VOFFKXAVLKSHPE-LMDPOFIKSA-N 2 1 373.545 2.663 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000157395577 984545555 /nfs/dbraw/zinc/54/55/55/984545555.db2.gz HBGSSGUURXBYEH-INIZCTEOSA-N 2 1 360.502 2.943 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473468 984580736 /nfs/dbraw/zinc/58/07/36/984580736.db2.gz XHUVFJBELHPYIR-TZIWHRDSSA-N 2 1 356.514 2.699 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473468 984580739 /nfs/dbraw/zinc/58/07/39/984580739.db2.gz XHUVFJBELHPYIR-TZIWHRDSSA-N 2 1 356.514 2.699 20 30 FFEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000997596704 985582462 /nfs/dbraw/zinc/58/24/62/985582462.db2.gz NDMNXUDSDXDPCT-CSODHUTKSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495875 987767261 /nfs/dbraw/zinc/76/72/61/987767261.db2.gz RRCDKVOKBCXNQN-BHIYHBOVSA-N 2 1 365.562 2.810 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495875 987767264 /nfs/dbraw/zinc/76/72/64/987767264.db2.gz RRCDKVOKBCXNQN-BHIYHBOVSA-N 2 1 365.562 2.810 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495875 987767268 /nfs/dbraw/zinc/76/72/68/987767268.db2.gz RRCDKVOKBCXNQN-BHIYHBOVSA-N 2 1 365.562 2.810 20 30 FFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577790 988425718 /nfs/dbraw/zinc/42/57/18/988425718.db2.gz SIIQXFTVIBEAGL-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577790 988425726 /nfs/dbraw/zinc/42/57/26/988425726.db2.gz SIIQXFTVIBEAGL-VAMGGRTRSA-N 2 1 367.578 2.750 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666722 988609009 /nfs/dbraw/zinc/60/90/09/988609009.db2.gz RNUXZTLQXFRUHU-SIIHOXLZSA-N 2 1 359.917 2.636 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673773414 989242401 /nfs/dbraw/zinc/24/24/01/989242401.db2.gz FYTCMEJUECHHFZ-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCC[NH+]2CCCCC2)c1C ZINC000915975990 989718365 /nfs/dbraw/zinc/71/83/65/989718365.db2.gz YMFRVVNQTQOSEE-OAQYLSRUSA-N 2 1 359.562 2.999 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000652349603 1015534101 /nfs/dbraw/zinc/53/41/01/1015534101.db2.gz UWWOLFCHDQMISZ-WAOWUJCRSA-N 2 1 359.514 2.692 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000652349603 1015534113 /nfs/dbraw/zinc/53/41/13/1015534113.db2.gz UWWOLFCHDQMISZ-WAOWUJCRSA-N 2 1 359.514 2.692 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC[NH+]3CCCC3)CC2)cc1 ZINC000920768082 990917456 /nfs/dbraw/zinc/91/74/56/990917456.db2.gz AKBCVMLXWWVLOI-UHFFFAOYSA-N 2 1 368.525 2.859 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001484521449 991644190 /nfs/dbraw/zinc/64/41/90/991644190.db2.gz RVCSXKZOQIMOQZ-PCCBWWKXSA-N 2 1 368.525 2.617 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080017827 992654856 /nfs/dbraw/zinc/65/48/56/992654856.db2.gz WTEIMFSXXTZUDS-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080017827 992654859 /nfs/dbraw/zinc/65/48/59/992654859.db2.gz WTEIMFSXXTZUDS-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080017827 992654862 /nfs/dbraw/zinc/65/48/62/992654862.db2.gz WTEIMFSXXTZUDS-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001080992358 993542994 /nfs/dbraw/zinc/54/29/94/993542994.db2.gz HAZSFRRTSDYOPW-DBXWQHBBSA-N 2 1 353.510 2.529 20 30 FFEDMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000846008096 1000193089 /nfs/dbraw/zinc/19/30/89/1000193089.db2.gz UBVBDVDVQSPHQM-OAQYLSRUSA-N 2 1 353.466 2.664 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890400 1001122644 /nfs/dbraw/zinc/12/26/44/1001122644.db2.gz VAHOLNNDOZTVPK-QYZOEREBSA-N 2 1 351.454 2.569 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890400 1001122647 /nfs/dbraw/zinc/12/26/47/1001122647.db2.gz VAHOLNNDOZTVPK-QYZOEREBSA-N 2 1 351.454 2.569 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968706 1001209949 /nfs/dbraw/zinc/20/99/49/1001209949.db2.gz INKBYLFSRQVDKF-IVAOSVALSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968706 1001209952 /nfs/dbraw/zinc/20/99/52/1001209952.db2.gz INKBYLFSRQVDKF-IVAOSVALSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968706 1001209957 /nfs/dbraw/zinc/20/99/57/1001209957.db2.gz INKBYLFSRQVDKF-IVAOSVALSA-N 2 1 371.525 2.604 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968706 1001209962 /nfs/dbraw/zinc/20/99/62/1001209962.db2.gz INKBYLFSRQVDKF-IVAOSVALSA-N 2 1 371.525 2.604 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091948137 1002149243 /nfs/dbraw/zinc/14/92/43/1002149243.db2.gz SXYCPWDBIRJROW-UZKOGDIHSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091948137 1002149247 /nfs/dbraw/zinc/14/92/47/1002149247.db2.gz SXYCPWDBIRJROW-UZKOGDIHSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091948137 1002149251 /nfs/dbraw/zinc/14/92/51/1002149251.db2.gz SXYCPWDBIRJROW-UZKOGDIHSA-N 2 1 357.542 2.587 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001186195963 1003215842 /nfs/dbraw/zinc/21/58/42/1003215842.db2.gz ANUSAYDBUMMODT-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852858296 1006209526 /nfs/dbraw/zinc/20/95/26/1006209526.db2.gz XEIMUDFEQPPGHI-GOSISDBHSA-N 2 1 353.510 2.538 20 30 FFEDMP C=CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000883173960 1006684729 /nfs/dbraw/zinc/68/47/29/1006684729.db2.gz XRMKBZJTDLGUEZ-LEWJYISDSA-N 2 1 371.525 2.678 20 30 FFEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001206339877 1032239915 /nfs/dbraw/zinc/23/99/15/1032239915.db2.gz WCXVMVSTSVVKIK-RTWAWAEBSA-N 2 1 355.526 2.736 20 30 FFEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)CC2)oc1C ZINC000819054049 1008020139 /nfs/dbraw/zinc/02/01/39/1008020139.db2.gz UCSQHYJHGVLRLT-HXUWFJFHSA-N 2 1 368.481 2.698 20 30 FFEDMP N#Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)nc1 ZINC000820808432 1008374551 /nfs/dbraw/zinc/37/45/51/1008374551.db2.gz FXNDBZJNKGNUJV-CTXDPNEZSA-N 2 1 351.498 2.669 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccn2)cc1 ZINC000104163043 1009929987 /nfs/dbraw/zinc/92/99/87/1009929987.db2.gz CEEWQOWVGCYPTO-IBGZPJMESA-N 2 1 367.497 2.549 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000104193894 1009936128 /nfs/dbraw/zinc/93/61/28/1009936128.db2.gz NHJNAXWRRQPMAS-QGZVFWFLSA-N 2 1 374.529 2.905 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001093224855 1010166925 /nfs/dbraw/zinc/16/69/25/1010166925.db2.gz FBFNRPLBXLQETN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001093224855 1010166938 /nfs/dbraw/zinc/16/69/38/1010166938.db2.gz FBFNRPLBXLQETN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001093224855 1010166951 /nfs/dbraw/zinc/16/69/51/1010166951.db2.gz FBFNRPLBXLQETN-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093805884 1010582567 /nfs/dbraw/zinc/58/25/67/1010582567.db2.gz LRKYZXUEDPRAGS-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418009 1011102939 /nfs/dbraw/zinc/10/29/39/1011102939.db2.gz GGVZDABHWMRYLH-DODZYUBVSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418009 1011102944 /nfs/dbraw/zinc/10/29/44/1011102944.db2.gz GGVZDABHWMRYLH-DODZYUBVSA-N 2 1 353.938 2.830 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418009 1011102948 /nfs/dbraw/zinc/10/29/48/1011102948.db2.gz GGVZDABHWMRYLH-DODZYUBVSA-N 2 1 353.938 2.830 20 30 FFEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN3C(=O)CC[C@H]3C2)c1 ZINC001172168658 1011678595 /nfs/dbraw/zinc/67/85/95/1011678595.db2.gz CBOFFJOSAZBSCO-TUFLPTIASA-N 2 1 366.509 2.784 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250735 1011724679 /nfs/dbraw/zinc/72/46/79/1011724679.db2.gz GSIWZGIXNBUXJY-RTWAWAEBSA-N 2 1 366.546 2.561 20 30 FFEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172250735 1011724686 /nfs/dbraw/zinc/72/46/86/1011724686.db2.gz GSIWZGIXNBUXJY-RTWAWAEBSA-N 2 1 366.546 2.561 20 30 FFEDMP CC(C)(C)OC(=O)N1CC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[C@H]1C#N ZINC001172988525 1012155851 /nfs/dbraw/zinc/15/58/51/1012155851.db2.gz BUGHVIQFAKUDJI-HOTGVXAUSA-N 2 1 359.474 2.814 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1OC ZINC000304741014 1012861203 /nfs/dbraw/zinc/86/12/03/1012861203.db2.gz BZCIXVKSBVLEJO-MRXNPFEDSA-N 2 1 370.497 2.629 20 30 FFEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000304741014 1012861206 /nfs/dbraw/zinc/86/12/06/1012861206.db2.gz BZCIXVKSBVLEJO-MRXNPFEDSA-N 2 1 370.497 2.629 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)C[C@H](C)O1 ZINC000305029365 1013033560 /nfs/dbraw/zinc/03/35/60/1013033560.db2.gz AGKIXLJHSUJSKV-HDICACEKSA-N 2 1 358.530 2.987 20 30 FFEDMP C=CCC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cccc2C1 ZINC001051290318 1017267668 /nfs/dbraw/zinc/26/76/68/1017267668.db2.gz SXHXXLORFVRGRE-LEWJYISDSA-N 2 1 355.526 2.967 20 30 FFEDMP C=CCC[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cccc2C1 ZINC001051290318 1017267678 /nfs/dbraw/zinc/26/76/78/1017267678.db2.gz SXHXXLORFVRGRE-LEWJYISDSA-N 2 1 355.526 2.967 20 30 FFEDMP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cccc2C1 ZINC001051290318 1017267685 /nfs/dbraw/zinc/26/76/85/1017267685.db2.gz SXHXXLORFVRGRE-LEWJYISDSA-N 2 1 355.526 2.967 20 30 FFEDMP CN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000827685474 1018611463 /nfs/dbraw/zinc/61/14/63/1018611463.db2.gz NKISKQCRPXKYPK-UXHICEINSA-N 2 1 373.566 2.895 20 30 FFEDMP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC001118872575 1022452106 /nfs/dbraw/zinc/45/21/06/1022452106.db2.gz CFTZIXKIVDDSMT-MOPGFXCFSA-N 2 1 366.465 2.578 20 30 FFEDMP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c1 ZINC001095766404 1022781426 /nfs/dbraw/zinc/78/14/26/1022781426.db2.gz ANNSPVRMVSLKGZ-GIVPXCGWSA-N 2 1 371.444 2.741 20 30 FFEDMP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)c1 ZINC001095766404 1022781437 /nfs/dbraw/zinc/78/14/37/1022781437.db2.gz ANNSPVRMVSLKGZ-GIVPXCGWSA-N 2 1 371.444 2.741 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000752102578 1023064162 /nfs/dbraw/zinc/06/41/62/1023064162.db2.gz LXBAUGBTVPSMMI-CBPXPLCBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000752102578 1023064175 /nfs/dbraw/zinc/06/41/75/1023064175.db2.gz LXBAUGBTVPSMMI-CBPXPLCBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000752102578 1023064182 /nfs/dbraw/zinc/06/41/82/1023064182.db2.gz LXBAUGBTVPSMMI-CBPXPLCBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000752102578 1023064198 /nfs/dbraw/zinc/06/41/98/1023064198.db2.gz LXBAUGBTVPSMMI-CBPXPLCBSA-N 2 1 365.521 2.501 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143079 1023277626 /nfs/dbraw/zinc/27/76/26/1023277626.db2.gz GZFVHASUKYNTMP-GIVPXCGWSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000753143079 1023277634 /nfs/dbraw/zinc/27/76/34/1023277634.db2.gz GZFVHASUKYNTMP-GIVPXCGWSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000753143079 1023277640 /nfs/dbraw/zinc/27/76/40/1023277640.db2.gz GZFVHASUKYNTMP-GIVPXCGWSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000753143079 1023277651 /nfs/dbraw/zinc/27/76/51/1023277651.db2.gz GZFVHASUKYNTMP-GIVPXCGWSA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001101342675 1024501595 /nfs/dbraw/zinc/50/15/95/1024501595.db2.gz HTKNKLFWDHTYKU-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001101342675 1024501607 /nfs/dbraw/zinc/50/16/07/1024501607.db2.gz HTKNKLFWDHTYKU-OPYAIIAOSA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001101407955 1024660496 /nfs/dbraw/zinc/66/04/96/1024660496.db2.gz FGNQRYLWRWPZSH-NQIIRXRSSA-N 2 1 365.481 2.627 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001101407955 1024660502 /nfs/dbraw/zinc/66/05/02/1024660502.db2.gz FGNQRYLWRWPZSH-NQIIRXRSSA-N 2 1 365.481 2.627 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCCCCC)C[C@@]3(C)C2)CC1 ZINC001101474262 1024840069 /nfs/dbraw/zinc/84/00/69/1024840069.db2.gz PVZKZAUWMCCSIF-IRLDBZIGSA-N 2 1 359.558 2.692 20 30 FFEDMP CN1CC[NH+](Cc2ccccc2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)CC1 ZINC001159510403 1027416038 /nfs/dbraw/zinc/41/60/38/1027416038.db2.gz JKWITODIKUYGFI-UHFFFAOYSA-N 2 1 361.493 2.736 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC001160110445 1027596837 /nfs/dbraw/zinc/59/68/37/1027596837.db2.gz CGTQAEJYDGPYGH-LEWJYISDSA-N 2 1 355.526 2.846 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC001160110445 1027596841 /nfs/dbraw/zinc/59/68/41/1027596841.db2.gz CGTQAEJYDGPYGH-LEWJYISDSA-N 2 1 355.526 2.846 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001160175201 1027622275 /nfs/dbraw/zinc/62/22/75/1027622275.db2.gz FZAABZUTTQZPKZ-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC001160175201 1027622281 /nfs/dbraw/zinc/62/22/81/1027622281.db2.gz FZAABZUTTQZPKZ-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC001160175201 1027622286 /nfs/dbraw/zinc/62/22/86/1027622286.db2.gz FZAABZUTTQZPKZ-DYESRHJHSA-N 2 1 366.509 2.537 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC(C)C)c1ccccc1OC ZINC000248628700 1027735558 /nfs/dbraw/zinc/73/55/58/1027735558.db2.gz GAOZMSAVSLEBFE-QFBILLFUSA-N 2 1 362.518 2.550 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001103634562 1027838385 /nfs/dbraw/zinc/83/83/85/1027838385.db2.gz XQJBVPWQRWGUJM-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634562 1027838404 /nfs/dbraw/zinc/83/84/04/1027838404.db2.gz XQJBVPWQRWGUJM-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634562 1027838422 /nfs/dbraw/zinc/83/84/22/1027838422.db2.gz XQJBVPWQRWGUJM-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP C[NH+](C)C1(CNc2cccc(C3(C#N)CCOCC3)c2)CC[NH+](C)CC1 ZINC001164216743 1029207932 /nfs/dbraw/zinc/20/79/32/1029207932.db2.gz JRSARLIUMYOVIM-UHFFFAOYSA-N 2 1 356.514 2.696 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204754877 1031428537 /nfs/dbraw/zinc/42/85/37/1031428537.db2.gz BEBXWLFXMBNVNE-OAQYLSRUSA-N 2 1 350.466 2.876 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204754877 1031428545 /nfs/dbraw/zinc/42/85/45/1031428545.db2.gz BEBXWLFXMBNVNE-OAQYLSRUSA-N 2 1 350.466 2.876 20 30 FFEDMP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001149733537 1031582676 /nfs/dbraw/zinc/58/26/76/1031582676.db2.gz HZQRSJQFGQDBEL-SLFFLAALSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001149733537 1031582690 /nfs/dbraw/zinc/58/26/90/1031582690.db2.gz HZQRSJQFGQDBEL-SLFFLAALSA-N 2 1 367.578 2.894 20 30 FFEDMP CCCCCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001149733537 1031582707 /nfs/dbraw/zinc/58/27/07/1031582707.db2.gz HZQRSJQFGQDBEL-SLFFLAALSA-N 2 1 367.578 2.894 20 30 FFEDMP c1ccc(C[N@@H+]2C[C@@H]3C(=NNCCC[NH+]4CCOCC4)CCC[C@@H]3C2)cc1 ZINC000799488627 1031782894 /nfs/dbraw/zinc/78/28/94/1031782894.db2.gz HHDIUNYVFDKYCQ-RTWAWAEBSA-N 2 1 370.541 2.586 20 30 FFEDMP c1ccc(C[N@H+]2C[C@@H]3C(=NNCCC[NH+]4CCOCC4)CCC[C@@H]3C2)cc1 ZINC000799488627 1031782913 /nfs/dbraw/zinc/78/29/13/1031782913.db2.gz HHDIUNYVFDKYCQ-RTWAWAEBSA-N 2 1 370.541 2.586 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1ccccc1F ZINC001205685639 1031933737 /nfs/dbraw/zinc/93/37/37/1031933737.db2.gz AUAOHAOJYWYWFY-TYPHKJRUSA-N 2 1 371.500 2.607 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218838365 1033366905 /nfs/dbraw/zinc/36/69/05/1033366905.db2.gz CFXVYGYINPIOQR-VQTJNVASSA-N 2 1 365.562 2.600 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC001226859872 1034864813 /nfs/dbraw/zinc/86/48/13/1034864813.db2.gz DGPUKOXYMWHSAK-VSKRKVRLSA-N 2 1 367.537 2.734 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC001226859872 1034864823 /nfs/dbraw/zinc/86/48/23/1034864823.db2.gz DGPUKOXYMWHSAK-VSKRKVRLSA-N 2 1 367.537 2.734 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001227166673 1034958099 /nfs/dbraw/zinc/95/80/99/1034958099.db2.gz WHHHFVLQMBVFJH-RTBURBONSA-N 2 1 356.514 2.806 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5C#N)C[C@@H]3C2)cn1 ZINC001139701454 1035201715 /nfs/dbraw/zinc/20/17/15/1035201715.db2.gz MDTJKIHZYDFERG-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5C#N)C[C@@H]3C2)cn1 ZINC001139701454 1035201717 /nfs/dbraw/zinc/20/17/17/1035201717.db2.gz MDTJKIHZYDFERG-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5c4cccc5C#N)C[C@@H]3C2)cn1 ZINC001139701454 1035201720 /nfs/dbraw/zinc/20/17/20/1035201720.db2.gz MDTJKIHZYDFERG-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5c4cccc5C#N)C[C@@H]3C2)cn1 ZINC001139701454 1035201723 /nfs/dbraw/zinc/20/17/23/1035201723.db2.gz MDTJKIHZYDFERG-QUCCMNQESA-N 2 1 374.492 2.727 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001228594418 1036195010 /nfs/dbraw/zinc/19/50/10/1036195010.db2.gz JSGVLRAQAZAFKZ-HMXCVIKNSA-N 2 1 353.510 2.539 20 30 FFEDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1CC#N)C2 ZINC001235514891 1037600202 /nfs/dbraw/zinc/60/02/02/1037600202.db2.gz RZAMCZUWRBJDCH-YADHBBJMSA-N 2 1 353.510 2.933 20 30 FFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1CC#N)C2 ZINC001235514891 1037600207 /nfs/dbraw/zinc/60/02/07/1037600207.db2.gz RZAMCZUWRBJDCH-YADHBBJMSA-N 2 1 353.510 2.933 20 30 FFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1CC#N)C2 ZINC001235514891 1037600214 /nfs/dbraw/zinc/60/02/14/1037600214.db2.gz RZAMCZUWRBJDCH-YADHBBJMSA-N 2 1 353.510 2.933 20 30 FFEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235514891 1037600223 /nfs/dbraw/zinc/60/02/23/1037600223.db2.gz RZAMCZUWRBJDCH-YADHBBJMSA-N 2 1 353.510 2.933 20 30 FFEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236083901 1037926636 /nfs/dbraw/zinc/92/66/36/1037926636.db2.gz XLDZRSHLKSBQOQ-UHFFFAOYSA-N 2 1 350.466 2.688 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007661 1037934726 /nfs/dbraw/zinc/93/47/26/1037934726.db2.gz HTLBDSYJKYKTDI-IEBWSBKVSA-N 2 1 358.530 2.945 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007661 1037934737 /nfs/dbraw/zinc/93/47/37/1037934737.db2.gz HTLBDSYJKYKTDI-IEBWSBKVSA-N 2 1 358.530 2.945 20 30 FFEDMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001208598911 1038436911 /nfs/dbraw/zinc/43/69/11/1038436911.db2.gz ANRINDDUTQKYJI-JOCHJYFZSA-N 2 1 366.509 2.719 20 30 FFEDMP C#CCCN1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528679 1038546942 /nfs/dbraw/zinc/54/69/42/1038546942.db2.gz JMONPJFOWWGIMI-GIVPXCGWSA-N 2 1 353.510 2.643 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246027074 1039199329 /nfs/dbraw/zinc/19/93/29/1039199329.db2.gz HFRPMXTZQRLETA-MOPGFXCFSA-N 2 1 366.546 2.881 20 30 FFEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209765350 1039200511 /nfs/dbraw/zinc/20/05/11/1039200511.db2.gz LEQFAFIIPKVBRV-UHFFFAOYSA-N 2 1 365.525 2.868 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246043125 1039210729 /nfs/dbraw/zinc/21/07/29/1039210729.db2.gz ABGCRUSEGCOZKJ-QWFCFKBJSA-N 2 1 354.535 2.573 20 30 FFEDMP CCC1(C[N@H+]2CCC[C@]3(CCN(Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472177 1039534396 /nfs/dbraw/zinc/53/43/96/1039534396.db2.gz DLTDSATUFHYZQL-OAQYLSRUSA-N 2 1 356.514 2.611 20 30 FFEDMP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001252595865 1039605567 /nfs/dbraw/zinc/60/55/67/1039605567.db2.gz KTEBRWFNUBLXSV-LEWJYISDSA-N 2 1 373.541 2.712 20 30 FFEDMP N#Cc1ccc(F)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247908372 1040038995 /nfs/dbraw/zinc/03/89/95/1040038995.db2.gz ZEJMKCJKVRYSMX-CQSZACIVSA-N 2 1 355.417 2.679 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444364 1040204801 /nfs/dbraw/zinc/20/48/01/1040204801.db2.gz XJTLYZJHENSEGH-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@H](OC)C1 ZINC001213502623 1040617270 /nfs/dbraw/zinc/61/72/70/1040617270.db2.gz OXVJPMDPVUTHQJ-QZTJIDSGSA-N 2 1 364.534 2.792 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502623 1040617279 /nfs/dbraw/zinc/61/72/79/1040617279.db2.gz OXVJPMDPVUTHQJ-QZTJIDSGSA-N 2 1 364.534 2.792 20 30 FFEDMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254358549 1040682462 /nfs/dbraw/zinc/68/24/62/1040682462.db2.gz GASVRRFMNNDYSZ-UHFFFAOYSA-N 2 1 358.505 2.709 20 30 FFEDMP CSc1nc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278842897 1041163376 /nfs/dbraw/zinc/16/33/76/1041163376.db2.gz GDYOSDUUQNBIRW-FQEVSTJZSA-N 2 1 373.570 2.525 20 30 FFEDMP CSc1nc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278842897 1041163382 /nfs/dbraw/zinc/16/33/82/1041163382.db2.gz GDYOSDUUQNBIRW-FQEVSTJZSA-N 2 1 373.570 2.525 20 30 FFEDMP NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255386693 1041312751 /nfs/dbraw/zinc/31/27/51/1041312751.db2.gz AIXZTSNQVFRGHE-LJQANCHMSA-N 2 1 350.466 2.546 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001263989575 1042567705 /nfs/dbraw/zinc/56/77/05/1042567705.db2.gz BHQYAGYFUBYCJX-GJYPPUQNSA-N 2 1 359.518 2.583 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001263989575 1042567709 /nfs/dbraw/zinc/56/77/09/1042567709.db2.gz BHQYAGYFUBYCJX-GJYPPUQNSA-N 2 1 359.518 2.583 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264071365 1042613098 /nfs/dbraw/zinc/61/30/98/1042613098.db2.gz DPKDVFJKMAIVHW-LEWJYISDSA-N 2 1 368.525 2.903 20 30 FFEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC ZINC001264623908 1042755156 /nfs/dbraw/zinc/75/51/56/1042755156.db2.gz TZVLVVDWHUYDDC-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC ZINC001264623908 1042755158 /nfs/dbraw/zinc/75/51/58/1042755158.db2.gz TZVLVVDWHUYDDC-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC ZINC001264623908 1042755161 /nfs/dbraw/zinc/75/51/61/1042755161.db2.gz TZVLVVDWHUYDDC-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC ZINC001264623908 1042755164 /nfs/dbraw/zinc/75/51/64/1042755164.db2.gz TZVLVVDWHUYDDC-RBUKOAKNSA-N 2 1 360.477 2.508 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001279376240 1043036701 /nfs/dbraw/zinc/03/67/01/1043036701.db2.gz QSBJXBZHXMRPNU-QFIPXVFZSA-N 2 1 354.542 2.992 20 30 FFEDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001278134081 1043319531 /nfs/dbraw/zinc/31/95/31/1043319531.db2.gz CUKTVFQAULKBLZ-QFIPXVFZSA-N 2 1 354.542 2.840 20 30 FFEDMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)on1 ZINC001280064105 1044156151 /nfs/dbraw/zinc/15/61/51/1044156151.db2.gz IKZCGWGHMWNHRM-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)on1 ZINC001280064105 1044156157 /nfs/dbraw/zinc/15/61/57/1044156157.db2.gz IKZCGWGHMWNHRM-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)on1 ZINC001280064105 1044156164 /nfs/dbraw/zinc/15/61/64/1044156164.db2.gz IKZCGWGHMWNHRM-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP N#Cc1c2c(cnc1-c1ccc(C3([NH+]4CCOCC4)CC3)cc1)C[NH2+]CCC2 ZINC001240850894 1044448567 /nfs/dbraw/zinc/44/85/67/1044448567.db2.gz DBTNYJWRQYDQDQ-UHFFFAOYSA-N 2 1 374.488 2.977 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001317036495 1045057681 /nfs/dbraw/zinc/05/76/81/1045057681.db2.gz FRVIPPZRNOUCLA-BAGYTPMASA-N 2 1 367.537 2.549 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317036495 1045057693 /nfs/dbraw/zinc/05/76/93/1045057693.db2.gz FRVIPPZRNOUCLA-BAGYTPMASA-N 2 1 367.537 2.549 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317036495 1045057701 /nfs/dbraw/zinc/05/77/01/1045057701.db2.gz FRVIPPZRNOUCLA-BAGYTPMASA-N 2 1 367.537 2.549 20 30 FFEDMP CCCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001282771801 1046180809 /nfs/dbraw/zinc/18/08/09/1046180809.db2.gz BSVRDCNQZOXQMA-SBHAEUEKSA-N 2 1 365.562 2.600 20 30 FFEDMP CCCCCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001282771801 1046180818 /nfs/dbraw/zinc/18/08/18/1046180818.db2.gz BSVRDCNQZOXQMA-SBHAEUEKSA-N 2 1 365.562 2.600 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC001284322879 1046517922 /nfs/dbraw/zinc/51/79/22/1046517922.db2.gz JPWHQJBVSHBEQY-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001341749608 1050367235 /nfs/dbraw/zinc/36/72/35/1050367235.db2.gz IKSSFCAYDQWTIK-IRXDYDNUSA-N 2 1 371.533 2.521 20 30 FFEDMP C=C(C)Cn1c(CCn2cc[nH+]c2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001341749608 1050367244 /nfs/dbraw/zinc/36/72/44/1050367244.db2.gz IKSSFCAYDQWTIK-IRXDYDNUSA-N 2 1 371.533 2.521 20 30 FFEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001340599341 1050983772 /nfs/dbraw/zinc/98/37/72/1050983772.db2.gz GEOJMNSDNJWOMC-KRWDZBQOSA-N 2 1 372.561 2.584 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC001200071353 1055597174 /nfs/dbraw/zinc/59/71/74/1055597174.db2.gz UBMAIASUMWDRNQ-LJQANCHMSA-N 2 1 372.513 2.626 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC001200071353 1055597184 /nfs/dbraw/zinc/59/71/84/1055597184.db2.gz UBMAIASUMWDRNQ-LJQANCHMSA-N 2 1 372.513 2.626 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339108782 1056101227 /nfs/dbraw/zinc/10/12/27/1056101227.db2.gz HARYKPZCRVMBPB-SFHVURJKSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001339108782 1056101231 /nfs/dbraw/zinc/10/12/31/1056101231.db2.gz HARYKPZCRVMBPB-SFHVURJKSA-N 2 1 358.534 2.686 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC001200376740 1056524212 /nfs/dbraw/zinc/52/42/12/1056524212.db2.gz DXODHSKEWJGZDO-IBGZPJMESA-N 2 1 360.498 2.993 20 30 FFEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001479573761 1062567023 /nfs/dbraw/zinc/56/70/23/1062567023.db2.gz YDFMJXLTNKIWIS-SKDZVZGDSA-N 2 1 364.921 2.723 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001479717688 1062903156 /nfs/dbraw/zinc/90/31/56/1062903156.db2.gz KEOMQOGQFNGHEH-QUCCMNQESA-N 2 1 355.526 2.595 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CC#Cc1ccccc1 ZINC001479717688 1062903180 /nfs/dbraw/zinc/90/31/80/1062903180.db2.gz KEOMQOGQFNGHEH-QUCCMNQESA-N 2 1 355.526 2.595 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CC#Cc1ccccc1 ZINC001479717688 1062903209 /nfs/dbraw/zinc/90/32/09/1062903209.db2.gz KEOMQOGQFNGHEH-QUCCMNQESA-N 2 1 355.526 2.595 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CC#Cc1ccccc1 ZINC001479717688 1062903237 /nfs/dbraw/zinc/90/32/37/1062903237.db2.gz KEOMQOGQFNGHEH-QUCCMNQESA-N 2 1 355.526 2.595 20 30 FFEDMP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001574836746 1078087362 /nfs/dbraw/zinc/08/73/62/1078087362.db2.gz SFGGJYNVFDFJIF-SJORKVTESA-N 2 1 369.517 2.564 20 30 FFEDMP N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001560155028 1076237386 /nfs/dbraw/zinc/23/73/86/1076237386.db2.gz ZBRQHDJDPXDEOT-QHAWAJNXSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001560155028 1076237391 /nfs/dbraw/zinc/23/73/91/1076237391.db2.gz ZBRQHDJDPXDEOT-QHAWAJNXSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001560155028 1076237395 /nfs/dbraw/zinc/23/73/95/1076237395.db2.gz ZBRQHDJDPXDEOT-QHAWAJNXSA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@H](O)C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001560155027 1076237647 /nfs/dbraw/zinc/23/76/47/1076237647.db2.gz ZBRQHDJDPXDEOT-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001560155027 1076237650 /nfs/dbraw/zinc/23/76/50/1076237650.db2.gz ZBRQHDJDPXDEOT-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP N#CC1(C[C@H](O)C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001560155027 1076237652 /nfs/dbraw/zinc/23/76/52/1076237652.db2.gz ZBRQHDJDPXDEOT-HKBOAZHASA-N 2 1 353.510 2.885 20 30 FFEDMP CC(C)(C)[C@@]1(C[NH2+][C@@H]2CCCN(O)C2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001560912900 1076309195 /nfs/dbraw/zinc/30/91/95/1076309195.db2.gz NYFIPCZUKDBXBG-WIYYLYMNSA-N 2 1 359.514 2.895 20 30 FFEDMP CC(C)(C)[C@@]1(C[NH2+][C@@H]2CCCN(O)C2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001560912900 1076309201 /nfs/dbraw/zinc/30/92/01/1076309201.db2.gz NYFIPCZUKDBXBG-WIYYLYMNSA-N 2 1 359.514 2.895 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001569669942 1077158010 /nfs/dbraw/zinc/15/80/10/1077158010.db2.gz YPFNOBNSUYIETD-TUNNFDKTSA-N 2 1 368.525 2.617 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843905 507339232 /nfs/dbraw/zinc/33/92/32/507339232.db2.gz ZXIPHDZQLMFCGU-JOCHJYFZSA-N 2 1 370.541 2.885 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843905 507339235 /nfs/dbraw/zinc/33/92/35/507339235.db2.gz ZXIPHDZQLMFCGU-JOCHJYFZSA-N 2 1 370.541 2.885 20 30 FFEDMP CN(CCC#N)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377625222 512361042 /nfs/dbraw/zinc/36/10/42/512361042.db2.gz IGOYFMOOUWPUND-JOCHJYFZSA-N 2 1 369.557 2.637 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052208392 507802040 /nfs/dbraw/zinc/80/20/40/507802040.db2.gz LLMXIYKKPKDGOP-HXUWFJFHSA-N 2 1 359.514 2.742 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000080428635 508072184 /nfs/dbraw/zinc/07/21/84/508072184.db2.gz QZOKJFHTGVFGET-INIZCTEOSA-N 2 1 350.466 2.703 20 30 FFEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093769423 508154237 /nfs/dbraw/zinc/15/42/37/508154237.db2.gz ZZNBHYWVBLYYKD-UHFFFAOYSA-N 2 1 369.513 2.776 20 30 FFEDMP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000102573183 508277800 /nfs/dbraw/zinc/27/78/00/508277800.db2.gz MHSFETXRTLMVQZ-UHFFFAOYSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000102573183 508277802 /nfs/dbraw/zinc/27/78/02/508277802.db2.gz MHSFETXRTLMVQZ-UHFFFAOYSA-N 2 1 371.529 2.506 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSc1ccc(C#N)cc1 ZINC000103080087 508295603 /nfs/dbraw/zinc/29/56/03/508295603.db2.gz XDTGLOVWUYJPSK-SFHVURJKSA-N 2 1 374.554 2.525 20 30 FFEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103229837 508302811 /nfs/dbraw/zinc/30/28/11/508302811.db2.gz SUSPYXLXHXCDJM-RTWAWAEBSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103229837 508302813 /nfs/dbraw/zinc/30/28/13/508302813.db2.gz SUSPYXLXHXCDJM-RTWAWAEBSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000150818655 508900318 /nfs/dbraw/zinc/90/03/18/508900318.db2.gz MUSIFOZMXVUFJG-HNNXBMFYSA-N 2 1 360.889 2.958 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000126207855 509071613 /nfs/dbraw/zinc/07/16/13/509071613.db2.gz HPIYDAXJPKPLOO-SFHVURJKSA-N 2 1 350.551 2.694 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155927728 509094256 /nfs/dbraw/zinc/09/42/56/509094256.db2.gz FYMXBVMMVHBICX-BGYRXZFFSA-N 2 1 370.541 2.818 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155927728 509094261 /nfs/dbraw/zinc/09/42/61/509094261.db2.gz FYMXBVMMVHBICX-BGYRXZFFSA-N 2 1 370.541 2.818 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247873190 509183702 /nfs/dbraw/zinc/18/37/02/509183702.db2.gz XYLVZYQDPOSMKH-KSZLIROESA-N 2 1 350.551 2.693 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092394 509320441 /nfs/dbraw/zinc/32/04/41/509320441.db2.gz XXKBOJOMHWSDED-KRWDZBQOSA-N 2 1 361.465 2.577 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000163455941 509377093 /nfs/dbraw/zinc/37/70/93/509377093.db2.gz VBFZXEGGARBQAZ-QFIPXVFZSA-N 2 1 353.510 2.503 20 30 FFEDMP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000267430467 509478578 /nfs/dbraw/zinc/47/85/78/509478578.db2.gz MMPGCSTZFWNLOT-UHFFFAOYSA-N 2 1 371.485 2.939 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268614348 510035798 /nfs/dbraw/zinc/03/57/98/510035798.db2.gz WXFIFKGANJHSQG-FQEVSTJZSA-N 2 1 356.514 2.553 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000177904344 510317183 /nfs/dbraw/zinc/31/71/83/510317183.db2.gz DULJYIDSXRKFKD-QGZVFWFLSA-N 2 1 361.465 2.577 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175477152 510660208 /nfs/dbraw/zinc/66/02/08/510660208.db2.gz YWIPBBGRNGLCFW-SFHVURJKSA-N 2 1 358.530 2.847 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000330012740 510899677 /nfs/dbraw/zinc/89/96/77/510899677.db2.gz LBDUKEOAEZTYJM-UHFFFAOYSA-N 2 1 358.490 2.648 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288592849 511080510 /nfs/dbraw/zinc/08/05/10/511080510.db2.gz OVPWCCDWQSUMTM-UHFFFAOYSA-N 2 1 353.466 2.714 20 30 FFEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000281289811 511791439 /nfs/dbraw/zinc/79/14/39/511791439.db2.gz JDIJODCCSMTPKQ-UHFFFAOYSA-N 2 1 360.527 2.855 20 30 FFEDMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328600074 511889560 /nfs/dbraw/zinc/88/95/60/511889560.db2.gz CSSBCZORLWXFJY-FUHWJXTLSA-N 2 1 359.518 2.746 20 30 FFEDMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328600074 511889564 /nfs/dbraw/zinc/88/95/64/511889564.db2.gz CSSBCZORLWXFJY-FUHWJXTLSA-N 2 1 359.518 2.746 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424126058 514389221 /nfs/dbraw/zinc/38/92/21/514389221.db2.gz BBNCFENGFYHTPB-QKLQHJQFSA-N 2 1 356.514 2.802 20 30 FFEDMP CN(CC#CCN(C)CC[C@@H]1CCCC[N@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334413 /nfs/dbraw/zinc/33/44/13/515334413.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 3 1 362.606 2.602 20 30 FFEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469780157 515961587 /nfs/dbraw/zinc/96/15/87/515961587.db2.gz NGMCDTLYQCNOIJ-KRWDZBQOSA-N 2 1 369.513 2.571 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000530239137 517647509 /nfs/dbraw/zinc/64/75/09/517647509.db2.gz DGXKUCUANDWFII-LJQANCHMSA-N 2 1 359.514 2.564 20 30 FFEDMP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538949223 517860289 /nfs/dbraw/zinc/86/02/89/517860289.db2.gz MFCJDGQRYFGFFR-OAQYLSRUSA-N 2 1 368.525 2.919 20 30 FFEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538949223 517860297 /nfs/dbraw/zinc/86/02/97/517860297.db2.gz MFCJDGQRYFGFFR-OAQYLSRUSA-N 2 1 368.525 2.919 20 30 FFEDMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437408 519963714 /nfs/dbraw/zinc/96/37/14/519963714.db2.gz JPAXVTQCIOWDCX-HOJAQTOUSA-N 2 1 356.514 2.909 20 30 FFEDMP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000609739391 520417350 /nfs/dbraw/zinc/41/73/50/520417350.db2.gz DHOBOKMVSKJJDF-PMACEKPBSA-N 2 1 363.461 2.797 20 30 FFEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616066 520595455 /nfs/dbraw/zinc/59/54/55/520595455.db2.gz OOXLTCCTCGLLDZ-QUCCMNQESA-N 2 1 368.525 2.781 20 30 FFEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616066 520595462 /nfs/dbraw/zinc/59/54/62/520595462.db2.gz OOXLTCCTCGLLDZ-QUCCMNQESA-N 2 1 368.525 2.781 20 30 FFEDMP CCc1nc(C#N)cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000596152180 520940139 /nfs/dbraw/zinc/94/01/39/520940139.db2.gz IRUAKSUHCMIVAQ-UHFFFAOYSA-N 2 1 370.545 2.543 20 30 FFEDMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593407062 520972464 /nfs/dbraw/zinc/97/24/64/520972464.db2.gz KXQALCQGAZMNSV-QGZVFWFLSA-N 2 1 371.529 2.551 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4nc[nH]c4C3)sc2C1 ZINC000599429746 521217189 /nfs/dbraw/zinc/21/71/89/521217189.db2.gz JKDFZPPEHOLRKZ-LBPRGKRZSA-N 2 1 369.494 2.855 20 30 FFEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCc4nc[nH]c4C3)sc2C1 ZINC000599429746 521217197 /nfs/dbraw/zinc/21/71/97/521217197.db2.gz JKDFZPPEHOLRKZ-LBPRGKRZSA-N 2 1 369.494 2.855 20 30 FFEDMP N#Cc1ccc2c(c1)CN(C(=O)CC1([NH3+])CC[NH+](Cc3ccccc3)CC1)C2 ZINC000602522261 521392234 /nfs/dbraw/zinc/39/22/34/521392234.db2.gz UFSKGZYBWGUPJR-UHFFFAOYSA-N 2 1 374.488 2.784 20 30 FFEDMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602599940 521433112 /nfs/dbraw/zinc/43/31/12/521433112.db2.gz CWZHBYHKNFJOFD-RBUKOAKNSA-N 2 1 354.498 2.521 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000619877153 521915577 /nfs/dbraw/zinc/91/55/77/521915577.db2.gz FNFUBJZVAASALO-SFHVURJKSA-N 2 1 356.514 2.713 20 30 FFEDMP C=CC[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704692 523634901 /nfs/dbraw/zinc/63/49/01/523634901.db2.gz PYSUYMDPPAJRFG-LJQANCHMSA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704692 523634911 /nfs/dbraw/zinc/63/49/11/523634911.db2.gz PYSUYMDPPAJRFG-LJQANCHMSA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704692 523634920 /nfs/dbraw/zinc/63/49/20/523634920.db2.gz PYSUYMDPPAJRFG-LJQANCHMSA-N 2 1 371.525 2.628 20 30 FFEDMP C=CC[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000625704692 523634929 /nfs/dbraw/zinc/63/49/29/523634929.db2.gz PYSUYMDPPAJRFG-LJQANCHMSA-N 2 1 371.525 2.628 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000876781509 732280844 /nfs/dbraw/zinc/28/08/44/732280844.db2.gz HMGZMAJFBHGKIU-AWEZNQCLSA-N 2 1 357.285 2.500 20 30 FFEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000876888221 732291999 /nfs/dbraw/zinc/29/19/99/732291999.db2.gz BDRNXDTZGBTKCS-CYBMUJFWSA-N 2 1 360.683 2.919 20 30 FFEDMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2 ZINC000879249657 732672494 /nfs/dbraw/zinc/67/24/94/732672494.db2.gz XUQGPPMKCHECHV-UHFFFAOYSA-N 2 1 360.889 2.958 20 30 FFEDMP N#Cc1ccc(Br)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000921720779 738033095 /nfs/dbraw/zinc/03/30/95/738033095.db2.gz KCGQRMXKFAQOFF-MRXNPFEDSA-N 2 1 366.303 2.647 20 30 FFEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001026564887 971646302 /nfs/dbraw/zinc/64/63/02/971646302.db2.gz JEQWHWIUSCYPQP-VFUGHAIPSA-N 2 1 355.526 2.925 20 30 FFEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104353976 963852937 /nfs/dbraw/zinc/85/29/37/963852937.db2.gz NFCJKQLIZOZMNY-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087465831 964404660 /nfs/dbraw/zinc/40/46/60/964404660.db2.gz LAWSBWGYYIAUHX-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087465831 964404667 /nfs/dbraw/zinc/40/46/67/964404667.db2.gz LAWSBWGYYIAUHX-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087465831 964404677 /nfs/dbraw/zinc/40/46/77/964404677.db2.gz LAWSBWGYYIAUHX-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087465831 964404683 /nfs/dbraw/zinc/40/46/83/964404683.db2.gz LAWSBWGYYIAUHX-NJYVYQBISA-N 2 1 371.500 2.607 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001087167893 964800430 /nfs/dbraw/zinc/80/04/30/964800430.db2.gz HLKNUDRLMNWVSG-SGLNWRHMSA-N 2 1 368.525 2.615 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087472999 965479108 /nfs/dbraw/zinc/47/91/08/965479108.db2.gz JFDUZWYEDWWEMZ-ACRUOGEOSA-N 2 1 371.525 2.640 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001023994295 968405203 /nfs/dbraw/zinc/40/52/03/968405203.db2.gz DJLUTROAQVTZJJ-JRGCBEDISA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518515 968523781 /nfs/dbraw/zinc/52/37/81/968523781.db2.gz NFDSIRHJFZICII-DXIQSLLYSA-N 2 1 370.541 2.938 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087699957 968654118 /nfs/dbraw/zinc/65/41/18/968654118.db2.gz UKEHDHMCQHOGKT-LRGNLBRXSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087699957 968654124 /nfs/dbraw/zinc/65/41/24/968654124.db2.gz UKEHDHMCQHOGKT-LRGNLBRXSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087699957 968654128 /nfs/dbraw/zinc/65/41/28/968654128.db2.gz UKEHDHMCQHOGKT-LRGNLBRXSA-N 2 1 368.525 2.758 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087749894 968891442 /nfs/dbraw/zinc/89/14/42/968891442.db2.gz GHGFEKCYPIEXSJ-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001087749894 968891449 /nfs/dbraw/zinc/89/14/49/968891449.db2.gz GHGFEKCYPIEXSJ-LEWJYISDSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681095 970091958 /nfs/dbraw/zinc/09/19/58/970091958.db2.gz DBGDBMAQMDMFCP-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001104681959 970094442 /nfs/dbraw/zinc/09/44/42/970094442.db2.gz UUBFELZFHXAESL-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112175141 972543613 /nfs/dbraw/zinc/54/36/13/972543613.db2.gz MJEQAZTULCHFOB-OAGGEKHMSA-N 2 1 361.452 2.804 20 30 FFEDMP CC[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262455658 973325517 /nfs/dbraw/zinc/32/55/17/973325517.db2.gz WTJJKKFYQGOFHQ-MISYRCLQSA-N 2 1 362.562 2.575 20 30 FFEDMP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001105425477 979621628 /nfs/dbraw/zinc/62/16/28/979621628.db2.gz JBYJTWJMHKPXNW-NNXSRULWSA-N 2 1 367.537 2.546 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001483228069 980153550 /nfs/dbraw/zinc/15/35/50/980153550.db2.gz GPJZMSOCWWUMGT-ZYSHUDEJSA-N 2 1 361.917 2.516 20 30 FFEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccsc1C#N ZINC000906926296 981174574 /nfs/dbraw/zinc/17/45/74/981174574.db2.gz WSNLXLSMWVWAIS-UHFFFAOYSA-N 2 1 374.554 2.888 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC001088630816 982045287 /nfs/dbraw/zinc/04/52/87/982045287.db2.gz BENOGWBIRSDTLJ-MNEFBYGVSA-N 2 1 359.901 2.517 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(Cl)c2)[C@@H]1C ZINC001088630816 982045299 /nfs/dbraw/zinc/04/52/99/982045299.db2.gz BENOGWBIRSDTLJ-MNEFBYGVSA-N 2 1 359.901 2.517 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424435 984526177 /nfs/dbraw/zinc/52/61/77/984526177.db2.gz NWHPIBHOVQNBOB-NLWGTHIKSA-N 2 1 353.526 2.993 20 30 FFEDMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001107583088 984743243 /nfs/dbraw/zinc/74/32/43/984743243.db2.gz OZJIPYCJPKVPKD-IFMALSPDSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035801606 990561950 /nfs/dbraw/zinc/56/19/50/990561950.db2.gz BANXZLJWRLQKKS-RTWAWAEBSA-N 2 1 367.537 2.832 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]C(C)C)C1 ZINC001079153645 991820475 /nfs/dbraw/zinc/82/04/75/991820475.db2.gz RXJIBAUNTOCGRN-HBMCJLEFSA-N 2 1 371.500 2.606 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]C(C)C)C1 ZINC001079153645 991820479 /nfs/dbraw/zinc/82/04/79/991820479.db2.gz RXJIBAUNTOCGRN-HBMCJLEFSA-N 2 1 371.500 2.606 20 30 FFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131588042 994417318 /nfs/dbraw/zinc/41/73/18/994417318.db2.gz NOVSILDEDKWIMO-DSKINZAPSA-N 2 1 365.562 2.669 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CCC)cc2)C1 ZINC001082568434 994964686 /nfs/dbraw/zinc/96/46/86/994964686.db2.gz VRAAGBKUGCOOGO-QIJUGHKUSA-N 2 1 367.537 2.673 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CCC)cc2)C1 ZINC001082568434 994964692 /nfs/dbraw/zinc/96/46/92/994964692.db2.gz VRAAGBKUGCOOGO-QIJUGHKUSA-N 2 1 367.537 2.673 20 30 FFEDMP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042250 1015928690 /nfs/dbraw/zinc/92/86/90/1015928690.db2.gz SOWZYOUZFQRKLK-JRGCBEDISA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042250 1015928696 /nfs/dbraw/zinc/92/86/96/1015928696.db2.gz SOWZYOUZFQRKLK-JRGCBEDISA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001054042250 1015928705 /nfs/dbraw/zinc/92/87/05/1015928705.db2.gz SOWZYOUZFQRKLK-JRGCBEDISA-N 2 1 355.526 2.836 20 30 FFEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C[NH+]2CCCCC2)ccn1 ZINC001171067437 997105445 /nfs/dbraw/zinc/10/54/45/997105445.db2.gz DNQWPAGPNXPRHQ-SFHVURJKSA-N 2 1 360.502 2.706 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001084850169 997659858 /nfs/dbraw/zinc/65/98/58/997659858.db2.gz NKDYFMFAQJEIHK-STZQEDGTSA-N 2 1 365.521 2.626 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941186 998231870 /nfs/dbraw/zinc/23/18/70/998231870.db2.gz UGSAPEYIOFHRBV-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941186 998231879 /nfs/dbraw/zinc/23/18/79/998231879.db2.gz UGSAPEYIOFHRBV-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941186 998231893 /nfs/dbraw/zinc/23/18/93/998231893.db2.gz UGSAPEYIOFHRBV-DYXWJJEUSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941239 998245866 /nfs/dbraw/zinc/24/58/66/998245866.db2.gz WXVHMEHYYJEIAJ-SBHAEUEKSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941239 998245871 /nfs/dbraw/zinc/24/58/71/998245871.db2.gz WXVHMEHYYJEIAJ-SBHAEUEKSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941239 998245879 /nfs/dbraw/zinc/24/58/79/998245879.db2.gz WXVHMEHYYJEIAJ-SBHAEUEKSA-N 2 1 357.542 2.587 20 30 FFEDMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1)[NH+](C)C ZINC001085024899 998704334 /nfs/dbraw/zinc/70/43/34/998704334.db2.gz MZCDVHNESLSMBS-BHIFYINESA-N 2 1 367.537 2.547 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033184 998723713 /nfs/dbraw/zinc/72/37/13/998723713.db2.gz URSYRPUNTOUJBD-UWVAXJGDSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033184 998723717 /nfs/dbraw/zinc/72/37/17/998723717.db2.gz URSYRPUNTOUJBD-UWVAXJGDSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033184 998723719 /nfs/dbraw/zinc/72/37/19/998723719.db2.gz URSYRPUNTOUJBD-UWVAXJGDSA-N 2 1 351.510 2.698 20 30 FFEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001096607861 1016347205 /nfs/dbraw/zinc/34/72/05/1016347205.db2.gz LAVANZQENKLENO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001096607861 1016347213 /nfs/dbraw/zinc/34/72/13/1016347213.db2.gz LAVANZQENKLENO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001096607861 1016347223 /nfs/dbraw/zinc/34/72/23/1016347223.db2.gz LAVANZQENKLENO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001096607861 1016347231 /nfs/dbraw/zinc/34/72/31/1016347231.db2.gz LAVANZQENKLENO-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001109466218 1000514710 /nfs/dbraw/zinc/51/47/10/1000514710.db2.gz PQABQEYHSKHNDV-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001109466218 1000514715 /nfs/dbraw/zinc/51/47/15/1000514715.db2.gz PQABQEYHSKHNDV-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109466218 1000514720 /nfs/dbraw/zinc/51/47/20/1000514720.db2.gz PQABQEYHSKHNDV-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109466218 1000514724 /nfs/dbraw/zinc/51/47/24/1000514724.db2.gz PQABQEYHSKHNDV-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086882660 1001301170 /nfs/dbraw/zinc/30/11/70/1001301170.db2.gz DPRDPDNLUTZBJL-HBMCJLEFSA-N 2 1 368.525 2.807 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112561269 1001479002 /nfs/dbraw/zinc/47/90/02/1001479002.db2.gz OOUFAMASYJDQSK-VWPQPMDRSA-N 2 1 359.558 2.883 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095499340 1016514385 /nfs/dbraw/zinc/51/43/85/1016514385.db2.gz YZYLHLIURBVSKS-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001095499340 1016514367 /nfs/dbraw/zinc/51/43/67/1016514367.db2.gz YZYLHLIURBVSKS-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095499340 1016514374 /nfs/dbraw/zinc/51/43/74/1016514374.db2.gz YZYLHLIURBVSKS-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095499340 1016514377 /nfs/dbraw/zinc/51/43/77/1016514377.db2.gz YZYLHLIURBVSKS-ANULTFPQSA-N 2 1 366.509 2.654 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001183043332 1002130966 /nfs/dbraw/zinc/13/09/66/1002130966.db2.gz QEAZCDVEFHPIPK-UHFFFAOYSA-N 2 1 368.525 2.548 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086592120 1002524493 /nfs/dbraw/zinc/52/44/93/1002524493.db2.gz WTKLQXMJALMTTM-XUVXKRRUSA-N 2 1 364.493 2.921 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086592120 1002524504 /nfs/dbraw/zinc/52/45/04/1002524504.db2.gz WTKLQXMJALMTTM-XUVXKRRUSA-N 2 1 364.493 2.921 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001086591817 1002534754 /nfs/dbraw/zinc/53/47/54/1002534754.db2.gz HQTKLRRQOFNEPV-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086591817 1002534764 /nfs/dbraw/zinc/53/47/64/1002534764.db2.gz HQTKLRRQOFNEPV-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086591817 1002534773 /nfs/dbraw/zinc/53/47/73/1002534773.db2.gz HQTKLRRQOFNEPV-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)CC[N@H+]1C ZINC001092618279 1003314440 /nfs/dbraw/zinc/31/44/40/1003314440.db2.gz HVRKUFXGECZHNO-VVWQDTPRSA-N 2 1 374.554 2.534 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)CC[NH+]1C ZINC001092618279 1003314452 /nfs/dbraw/zinc/31/44/52/1003314452.db2.gz HVRKUFXGECZHNO-VVWQDTPRSA-N 2 1 374.554 2.534 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)CC[NH+]1C ZINC001092618279 1003314464 /nfs/dbraw/zinc/31/44/64/1003314464.db2.gz HVRKUFXGECZHNO-VVWQDTPRSA-N 2 1 374.554 2.534 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620339 1003556413 /nfs/dbraw/zinc/55/64/13/1003556413.db2.gz LMMVALBUSBEYBX-VQTJNVASSA-N 2 1 353.510 2.633 20 30 FFEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743091 1004720396 /nfs/dbraw/zinc/72/03/96/1004720396.db2.gz URLRRDRUODIKQA-LMMKCTJWSA-N 2 1 359.514 2.749 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097064767 1016965823 /nfs/dbraw/zinc/96/58/23/1016965823.db2.gz MZDGFBQOCAOZNZ-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001097064767 1016965835 /nfs/dbraw/zinc/96/58/35/1016965835.db2.gz MZDGFBQOCAOZNZ-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001097064767 1016965840 /nfs/dbraw/zinc/96/58/40/1016965840.db2.gz MZDGFBQOCAOZNZ-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001097064767 1016965853 /nfs/dbraw/zinc/96/58/53/1016965853.db2.gz MZDGFBQOCAOZNZ-CGXNFDGLSA-N 2 1 366.509 2.653 20 30 FFEDMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001489069076 1005403472 /nfs/dbraw/zinc/40/34/72/1005403472.db2.gz LHLGWLYAHYPHBU-UYAOXDASSA-N 2 1 358.530 2.992 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1CC)[NH+](C)C ZINC001489123476 1005414709 /nfs/dbraw/zinc/41/47/09/1005414709.db2.gz YXUKRGQJVFSSED-IPMKNSEASA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1CC)[NH+](C)C ZINC001489123476 1005414710 /nfs/dbraw/zinc/41/47/10/1005414710.db2.gz YXUKRGQJVFSSED-IPMKNSEASA-N 2 1 360.477 2.507 20 30 FFEDMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001489206815 1005432425 /nfs/dbraw/zinc/43/24/25/1005432425.db2.gz PZGWFCVLYACJDI-RTWAWAEBSA-N 2 1 368.525 2.570 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001086721409 1006286048 /nfs/dbraw/zinc/28/60/48/1006286048.db2.gz XTOYHQZIXBISQW-HBMCJLEFSA-N 2 1 371.569 2.929 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001086721409 1006286057 /nfs/dbraw/zinc/28/60/57/1006286057.db2.gz XTOYHQZIXBISQW-HBMCJLEFSA-N 2 1 371.569 2.929 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001110684805 1006810533 /nfs/dbraw/zinc/81/05/33/1006810533.db2.gz ZJWNSTDYIKZNCC-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001110684805 1006810548 /nfs/dbraw/zinc/81/05/48/1006810548.db2.gz ZJWNSTDYIKZNCC-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001110684805 1006810564 /nfs/dbraw/zinc/81/05/64/1006810564.db2.gz ZJWNSTDYIKZNCC-BQJUDKOJSA-N 2 1 366.509 2.654 20 30 FFEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ccccc1C#N)CC2 ZINC001094380614 1011086293 /nfs/dbraw/zinc/08/62/93/1011086293.db2.gz UODRRLVPKBVXHL-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1C#N)CC2 ZINC001094380614 1011086299 /nfs/dbraw/zinc/08/62/99/1011086299.db2.gz UODRRLVPKBVXHL-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1C#N)CC2 ZINC001094380614 1011086308 /nfs/dbraw/zinc/08/63/08/1011086308.db2.gz UODRRLVPKBVXHL-TUNNFDKTSA-N 2 1 366.509 2.513 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430439 1011114304 /nfs/dbraw/zinc/11/43/04/1011114304.db2.gz QCRJKZSPHXQHRV-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430439 1011114309 /nfs/dbraw/zinc/11/43/09/1011114309.db2.gz QCRJKZSPHXQHRV-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430439 1011114313 /nfs/dbraw/zinc/11/43/13/1011114313.db2.gz QCRJKZSPHXQHRV-YQVWRLOYSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430525 1011114457 /nfs/dbraw/zinc/11/44/57/1011114457.db2.gz QCRJKZSPHXQHRV-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430525 1011114461 /nfs/dbraw/zinc/11/44/61/1011114461.db2.gz QCRJKZSPHXQHRV-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430525 1011114466 /nfs/dbraw/zinc/11/44/66/1011114466.db2.gz QCRJKZSPHXQHRV-ZHALLVOQSA-N 2 1 353.938 2.974 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)CCC[C@@H]12 ZINC001094466330 1011125230 /nfs/dbraw/zinc/12/52/30/1011125230.db2.gz PAAXAXOGYVCOOT-TZIWHRDSSA-N 2 1 365.481 2.818 20 30 FFEDMP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275339057 1012323026 /nfs/dbraw/zinc/32/30/26/1012323026.db2.gz ADNKVEKUDUVWJE-NRFANRHFSA-N 2 1 365.562 2.768 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000303769519 1012424991 /nfs/dbraw/zinc/42/49/91/1012424991.db2.gz BBWSRUFGIUEKCF-NRFANRHFSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(COCC(F)(F)F)cc1 ZINC000303783830 1012427220 /nfs/dbraw/zinc/42/72/20/1012427220.db2.gz ONGHVVVDAROFBH-MRXNPFEDSA-N 2 1 372.435 2.654 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000303788137 1012431503 /nfs/dbraw/zinc/43/15/03/1012431503.db2.gz TYGJTTPGVHRQBP-NQIIRXRSSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303788137 1012431515 /nfs/dbraw/zinc/43/15/15/1012431515.db2.gz TYGJTTPGVHRQBP-NQIIRXRSSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000303788137 1012431529 /nfs/dbraw/zinc/43/15/29/1012431529.db2.gz TYGJTTPGVHRQBP-NQIIRXRSSA-N 3 1 371.573 2.950 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000303788641 1012432418 /nfs/dbraw/zinc/43/24/18/1012432418.db2.gz UKVNXVMNZXHLPO-INIZCTEOSA-N 2 1 356.470 2.603 20 30 FFEDMP N#CCC1CCC([N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173335423 1012451697 /nfs/dbraw/zinc/45/16/97/1012451697.db2.gz LPWGQTTWCXRPBD-UHFFFAOYSA-N 2 1 369.513 2.517 20 30 FFEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303873318 1012476048 /nfs/dbraw/zinc/47/60/48/1012476048.db2.gz CMNVHDJOLCUGMO-UHFFFAOYSA-N 2 1 357.546 2.561 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000303907494 1012516227 /nfs/dbraw/zinc/51/62/27/1012516227.db2.gz WWFBPMYGUWCKCD-WIYYLYMNSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303907494 1012516241 /nfs/dbraw/zinc/51/62/41/1012516241.db2.gz WWFBPMYGUWCKCD-WIYYLYMNSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000303907494 1012516258 /nfs/dbraw/zinc/51/62/58/1012516258.db2.gz WWFBPMYGUWCKCD-WIYYLYMNSA-N 3 1 371.573 2.807 20 30 FFEDMP C=C(C)COc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000648071886 1012685312 /nfs/dbraw/zinc/68/53/12/1012685312.db2.gz ZOAUWFFFAIQOKG-UHFFFAOYSA-N 2 1 360.498 2.947 20 30 FFEDMP C=C(C)COc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000648071886 1012685322 /nfs/dbraw/zinc/68/53/22/1012685322.db2.gz ZOAUWFFFAIQOKG-UHFFFAOYSA-N 2 1 360.498 2.947 20 30 FFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001275743215 1012950289 /nfs/dbraw/zinc/95/02/89/1012950289.db2.gz NRDUKOYHKVZGCG-QFIPXVFZSA-N 2 1 353.510 2.895 20 30 FFEDMP CCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1OC(F)F ZINC000305030900 1013033198 /nfs/dbraw/zinc/03/31/98/1013033198.db2.gz QXSVYNYSHQEMON-AWEZNQCLSA-N 2 1 370.444 2.575 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110942489 1018892530 /nfs/dbraw/zinc/89/25/30/1018892530.db2.gz OKAXEXUKHBOEEX-ZRNYENFQSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110942489 1018892551 /nfs/dbraw/zinc/89/25/51/1018892551.db2.gz OKAXEXUKHBOEEX-ZRNYENFQSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942489 1018892562 /nfs/dbraw/zinc/89/25/62/1018892562.db2.gz OKAXEXUKHBOEEX-ZRNYENFQSA-N 2 1 363.546 2.564 20 30 FFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942489 1018892575 /nfs/dbraw/zinc/89/25/75/1018892575.db2.gz OKAXEXUKHBOEEX-ZRNYENFQSA-N 2 1 363.546 2.564 20 30 FFEDMP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCO[C@H](C)CC3)c2)CCO1 ZINC000932337428 1020776601 /nfs/dbraw/zinc/77/66/01/1020776601.db2.gz RYUGPGYFOKTZGV-QZTJIDSGSA-N 2 1 357.498 2.780 20 30 FFEDMP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CCO[C@H](C)CC3)c2)CCO1 ZINC000932337428 1020776609 /nfs/dbraw/zinc/77/66/09/1020776609.db2.gz RYUGPGYFOKTZGV-QZTJIDSGSA-N 2 1 357.498 2.780 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001111262400 1022793415 /nfs/dbraw/zinc/79/34/15/1022793415.db2.gz OHXMEXWZCXUAFF-ZRNYENFQSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001111262400 1022793437 /nfs/dbraw/zinc/79/34/37/1022793437.db2.gz OHXMEXWZCXUAFF-ZRNYENFQSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001111262400 1022793444 /nfs/dbraw/zinc/79/34/44/1022793444.db2.gz OHXMEXWZCXUAFF-ZRNYENFQSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001122401768 1023246831 /nfs/dbraw/zinc/24/68/31/1023246831.db2.gz FMUJNHMPJIGBNQ-DLBZAZTESA-N 2 1 360.550 2.582 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001120590192 1023373530 /nfs/dbraw/zinc/37/35/30/1023373530.db2.gz JLNGKELBMPSCJC-GOSISDBHSA-N 2 1 354.416 2.686 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121566545 1023852384 /nfs/dbraw/zinc/85/23/84/1023852384.db2.gz DZRLVAMCWVLRFG-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189938 1025555013 /nfs/dbraw/zinc/55/50/13/1025555013.db2.gz JBTCNBFPKPHUDC-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189938 1025555022 /nfs/dbraw/zinc/55/50/22/1025555022.db2.gz JBTCNBFPKPHUDC-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189938 1025555028 /nfs/dbraw/zinc/55/50/28/1025555028.db2.gz JBTCNBFPKPHUDC-RTBURBONSA-N 2 1 365.562 2.528 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246106955 1025759410 /nfs/dbraw/zinc/75/94/10/1025759410.db2.gz RHFWGJIJMGORSX-IXDOHACOSA-N 2 1 356.514 2.733 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCC[C@H](C#N)CC2)c1C ZINC001141573202 1026595477 /nfs/dbraw/zinc/59/54/77/1026595477.db2.gz QBDDQCIDQSYOJG-SFHVURJKSA-N 2 1 373.545 2.829 20 30 FFEDMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@H](C#N)CC2)c1C ZINC001141573202 1026595485 /nfs/dbraw/zinc/59/54/85/1026595485.db2.gz QBDDQCIDQSYOJG-SFHVURJKSA-N 2 1 373.545 2.829 20 30 FFEDMP C#CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684350 1027802554 /nfs/dbraw/zinc/80/25/54/1027802554.db2.gz SRFGXOWAHNRUJC-VXKWHMMOSA-N 2 1 361.489 2.640 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001103751668 1028136662 /nfs/dbraw/zinc/13/66/62/1028136662.db2.gz LTBZVNWVJHIMHQ-WBWXQYNJSA-N 2 1 359.558 2.762 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1cccc(C#N)c1)C2 ZINC001111948983 1029787512 /nfs/dbraw/zinc/78/75/12/1029787512.db2.gz HUECCUKGRCZAHU-UNMCSNQZSA-N 2 1 368.525 2.761 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987225 1029837740 /nfs/dbraw/zinc/83/77/40/1029837740.db2.gz SUGRFMFODAXIEC-HKUYNNGSSA-N 2 1 353.938 2.976 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987225 1029837749 /nfs/dbraw/zinc/83/77/49/1029837749.db2.gz SUGRFMFODAXIEC-HKUYNNGSSA-N 2 1 353.938 2.976 20 30 FFEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C(F)(F)F ZINC001112213458 1030255257 /nfs/dbraw/zinc/25/52/57/1030255257.db2.gz LMNYRPDGMVKSBW-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112213261 1030256319 /nfs/dbraw/zinc/25/63/19/1030256319.db2.gz HXAJWPOOZHLYEO-BRWVUGGUSA-N 2 1 369.431 2.844 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205390917 1031704775 /nfs/dbraw/zinc/70/47/75/1031704775.db2.gz ILPGDLJHQVQTKZ-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205620961 1031879245 /nfs/dbraw/zinc/87/92/45/1031879245.db2.gz WVJMOPNYCLWNLR-CEWLAPEOSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001205654258 1031909567 /nfs/dbraw/zinc/90/95/67/1031909567.db2.gz YZQZARIFNZHMEU-XKGZKEIXSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1F ZINC001205663455 1031914044 /nfs/dbraw/zinc/91/40/44/1031914044.db2.gz AVHWOLAOXHXAQQ-FUHWJXTLSA-N 2 1 367.896 2.804 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001223682643 1033547865 /nfs/dbraw/zinc/54/78/65/1033547865.db2.gz RUFQVTMHVSUZLY-NRFANRHFSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001223682643 1033547868 /nfs/dbraw/zinc/54/78/68/1033547868.db2.gz RUFQVTMHVSUZLY-NRFANRHFSA-N 2 1 368.525 2.569 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC001138558418 1034409794 /nfs/dbraw/zinc/40/97/94/1034409794.db2.gz UZAQVNVFAMIDNU-GGAORHGYSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC001138558418 1034409801 /nfs/dbraw/zinc/40/98/01/1034409801.db2.gz UZAQVNVFAMIDNU-GGAORHGYSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001138558418 1034409808 /nfs/dbraw/zinc/40/98/08/1034409808.db2.gz UZAQVNVFAMIDNU-GGAORHGYSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001138558418 1034409815 /nfs/dbraw/zinc/40/98/15/1034409815.db2.gz UZAQVNVFAMIDNU-GGAORHGYSA-N 2 1 368.521 2.879 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001226860677 1034866838 /nfs/dbraw/zinc/86/68/38/1034866838.db2.gz PFAZNWLRVLVINW-JBTXPJCTSA-N 2 1 365.521 2.814 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001226860677 1034866846 /nfs/dbraw/zinc/86/68/46/1034866846.db2.gz PFAZNWLRVLVINW-JBTXPJCTSA-N 2 1 365.521 2.814 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221895098 1035141157 /nfs/dbraw/zinc/14/11/57/1035141157.db2.gz VKKDEZBOOQSXRL-MBOZVWFJSA-N 2 1 365.481 2.768 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221895098 1035141161 /nfs/dbraw/zinc/14/11/61/1035141161.db2.gz VKKDEZBOOQSXRL-MBOZVWFJSA-N 2 1 365.481 2.768 20 30 FFEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115260 1035346381 /nfs/dbraw/zinc/34/63/81/1035346381.db2.gz SCXQKHWFZNVGRB-UHFFFAOYSA-N 2 1 353.514 2.889 20 30 FFEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cc(C#N)ccn1)CC2 ZINC001232474992 1035719182 /nfs/dbraw/zinc/71/91/82/1035719182.db2.gz DZSHPCIPULTXEK-IBGZPJMESA-N 2 1 366.465 2.802 20 30 FFEDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cc(C#N)ccc3[O-])CC2)C1 ZINC001278895145 1038237400 /nfs/dbraw/zinc/23/74/00/1038237400.db2.gz JHIXAPHJQDECPW-UHFFFAOYSA-N 2 1 356.514 2.503 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676380 1038482654 /nfs/dbraw/zinc/48/26/54/1038482654.db2.gz PDYRGHHAPSVVBK-SFHLNBCPSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208676380 1038482657 /nfs/dbraw/zinc/48/26/57/1038482657.db2.gz PDYRGHHAPSVVBK-SFHLNBCPSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676380 1038482660 /nfs/dbraw/zinc/48/26/60/1038482660.db2.gz PDYRGHHAPSVVBK-SFHLNBCPSA-N 2 1 357.542 2.952 20 30 FFEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676380 1038482664 /nfs/dbraw/zinc/48/26/64/1038482664.db2.gz PDYRGHHAPSVVBK-SFHLNBCPSA-N 2 1 357.542 2.952 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1C#N ZINC001278462880 1039444406 /nfs/dbraw/zinc/44/44/06/1039444406.db2.gz ACXKZPQLMGFWJW-SFHVURJKSA-N 2 1 356.514 2.611 20 30 FFEDMP N#Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC001252950261 1039860747 /nfs/dbraw/zinc/86/07/47/1039860747.db2.gz HSHHGFIOWWORRG-FQEVSTJZSA-N 2 1 355.869 2.938 20 30 FFEDMP N#Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC001252950261 1039860776 /nfs/dbraw/zinc/86/07/76/1039860776.db2.gz HSHHGFIOWWORRG-FQEVSTJZSA-N 2 1 355.869 2.938 20 30 FFEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001237250346 1043074783 /nfs/dbraw/zinc/07/47/83/1043074783.db2.gz VRBYGCUYPCVHIT-SFHVURJKSA-N 2 1 368.481 2.621 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3Cl)C[C@H]2CC1 ZINC001280037318 1044117368 /nfs/dbraw/zinc/11/73/68/1044117368.db2.gz KQQWMEXQHTYEFR-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]2CC1 ZINC001280037318 1044117374 /nfs/dbraw/zinc/11/73/74/1044117374.db2.gz KQQWMEXQHTYEFR-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]2CC1 ZINC001280037318 1044117379 /nfs/dbraw/zinc/11/73/79/1044117379.db2.gz KQQWMEXQHTYEFR-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]2CC1 ZINC001280037318 1044117389 /nfs/dbraw/zinc/11/73/89/1044117389.db2.gz KQQWMEXQHTYEFR-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]2CC1 ZINC001280037318 1044117394 /nfs/dbraw/zinc/11/73/94/1044117394.db2.gz KQQWMEXQHTYEFR-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCOc3ccccc3C#N)(C1)CCC2 ZINC001280060171 1044150629 /nfs/dbraw/zinc/15/06/29/1044150629.db2.gz KVWNBTKGSSKYCH-LEWJYISDSA-N 2 1 356.514 2.523 20 30 FFEDMP C=C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1ccccc1 ZINC001341681863 1050303495 /nfs/dbraw/zinc/30/34/95/1050303495.db2.gz XDIPWCKFZKRECI-UIFIKXQLSA-N 2 1 353.510 2.774 20 30 FFEDMP C[NH+](C)CCC[N@H+](C)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001307162854 1052260127 /nfs/dbraw/zinc/26/01/27/1052260127.db2.gz MKVJJTBHHOJPQQ-UHFFFAOYSA-N 2 1 368.529 2.779 20 30 FFEDMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001307162854 1052260135 /nfs/dbraw/zinc/26/01/35/1052260135.db2.gz MKVJJTBHHOJPQQ-UHFFFAOYSA-N 2 1 368.529 2.779 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000847528220 1055993734 /nfs/dbraw/zinc/99/37/34/1055993734.db2.gz DJMVFGKWXZJBSW-UHFFFAOYSA-N 2 1 372.488 2.510 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500499674 1058505389 /nfs/dbraw/zinc/50/53/89/1058505389.db2.gz ZUCUMDULRQTSGQ-NQSCKRDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500499674 1058505411 /nfs/dbraw/zinc/50/54/11/1058505411.db2.gz ZUCUMDULRQTSGQ-NQSCKRDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001500499674 1058505434 /nfs/dbraw/zinc/50/54/34/1058505434.db2.gz ZUCUMDULRQTSGQ-NQSCKRDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C(C)(C)C)CC[N@H+]1C ZINC001507948979 1059764129 /nfs/dbraw/zinc/76/41/29/1059764129.db2.gz PVTFKZRRJPMPRK-LZQZEXGQSA-N 2 1 356.514 2.519 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001516048115 1059941553 /nfs/dbraw/zinc/94/15/53/1059941553.db2.gz XCQYUMUTVIENOP-SFHVURJKSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001516048115 1059941575 /nfs/dbraw/zinc/94/15/75/1059941575.db2.gz XCQYUMUTVIENOP-SFHVURJKSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001516048115 1059941595 /nfs/dbraw/zinc/94/15/95/1059941595.db2.gz XCQYUMUTVIENOP-SFHVURJKSA-N 2 1 360.550 2.584 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001477389393 1061686214 /nfs/dbraw/zinc/68/62/14/1061686214.db2.gz ABVDUBAJKBMRRO-LJQANCHMSA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001477389393 1061686221 /nfs/dbraw/zinc/68/62/21/1061686221.db2.gz ABVDUBAJKBMRRO-LJQANCHMSA-N 2 1 370.541 2.815 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001477389393 1061686227 /nfs/dbraw/zinc/68/62/27/1061686227.db2.gz ABVDUBAJKBMRRO-LJQANCHMSA-N 2 1 370.541 2.815 20 30 FFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CCOc2ccccc21)C(C)C ZINC001574927852 1078094103 /nfs/dbraw/zinc/09/41/03/1078094103.db2.gz WQPCTCWWJPGWKO-ICSRJNTNSA-N 2 1 357.498 2.525 20 30 FFEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575051863 1078101809 /nfs/dbraw/zinc/10/18/09/1078101809.db2.gz VFDGWPMCKAHICD-ARFHVFGLSA-N 2 1 360.527 2.794 20 30 FFEDMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360534 256303779 /nfs/dbraw/zinc/30/37/79/256303779.db2.gz BIOVZYVGEQYJKL-IBGZPJMESA-N 2 1 370.541 2.613 20 30 FFEDMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360534 256303780 /nfs/dbraw/zinc/30/37/80/256303780.db2.gz BIOVZYVGEQYJKL-IBGZPJMESA-N 2 1 370.541 2.613 20 30 FFEDMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360539 256304147 /nfs/dbraw/zinc/30/41/47/256304147.db2.gz BIOVZYVGEQYJKL-LJQANCHMSA-N 2 1 370.541 2.613 20 30 FFEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360539 256304148 /nfs/dbraw/zinc/30/41/48/256304148.db2.gz BIOVZYVGEQYJKL-LJQANCHMSA-N 2 1 370.541 2.613 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066599318 506568089 /nfs/dbraw/zinc/56/80/89/506568089.db2.gz JIDKHSNEVKWSOH-IBGZPJMESA-N 2 1 350.551 2.981 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000106275085 508398726 /nfs/dbraw/zinc/39/87/26/508398726.db2.gz FWWVDQXLFMXYKZ-UHFFFAOYSA-N 2 1 370.541 2.944 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000152991256 508538353 /nfs/dbraw/zinc/53/83/53/508538353.db2.gz QHDVRSOYEJNHMQ-OAHLLOKOSA-N 2 1 351.516 2.749 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000125673820 509014935 /nfs/dbraw/zinc/01/49/35/509014935.db2.gz ZCLCPFMRDAPFBP-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000125673820 509014938 /nfs/dbraw/zinc/01/49/38/509014938.db2.gz ZCLCPFMRDAPFBP-IBGZPJMESA-N 2 1 370.541 2.943 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000183139671 509621377 /nfs/dbraw/zinc/62/13/77/509621377.db2.gz YCDOZHZCTCVZML-MGPUTAFESA-N 2 1 353.470 2.886 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000183149439 509627654 /nfs/dbraw/zinc/62/76/54/509627654.db2.gz LSJJKSROVIIDLY-VBKZILBWSA-N 2 1 351.454 2.640 20 30 FFEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000270708700 510957412 /nfs/dbraw/zinc/95/74/12/510957412.db2.gz ZFTUBPVDLZWMOO-UHFFFAOYSA-N 2 1 351.454 2.804 20 30 FFEDMP C[NH+]1CCN(c2ncccc2CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000330347085 510971029 /nfs/dbraw/zinc/97/10/29/510971029.db2.gz HJDMHKVXXLQWMS-SFHVURJKSA-N 2 1 359.518 2.554 20 30 FFEDMP C=C(C)C[NH+]1CCC(Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000301234126 511691666 /nfs/dbraw/zinc/69/16/66/511691666.db2.gz GVIRZHZQYAZESR-UHFFFAOYSA-N 2 1 357.458 2.682 20 30 FFEDMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711731 511717335 /nfs/dbraw/zinc/71/73/35/511717335.db2.gz IHONDKCCBMKVSL-UYAOXDASSA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711731 511717339 /nfs/dbraw/zinc/71/73/39/511717339.db2.gz IHONDKCCBMKVSL-UYAOXDASSA-N 2 1 368.525 2.829 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000363711731 511717342 /nfs/dbraw/zinc/71/73/42/511717342.db2.gz IHONDKCCBMKVSL-UYAOXDASSA-N 2 1 368.525 2.829 20 30 FFEDMP Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000292999389 511801324 /nfs/dbraw/zinc/80/13/24/511801324.db2.gz OSEWYNWTAODEFM-QFIPXVFZSA-N 2 1 368.525 2.968 20 30 FFEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3nc(CN4CCCCC4)cs3)[C@H]2C1 ZINC000329227086 512009483 /nfs/dbraw/zinc/00/94/83/512009483.db2.gz AVVCQHRDUOCSGV-ZBFHGGJFSA-N 2 1 363.531 2.701 20 30 FFEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370706069 513062821 /nfs/dbraw/zinc/06/28/21/513062821.db2.gz AEZSOAXYTIPGHT-UGKGYDQZSA-N 2 1 355.526 2.547 20 30 FFEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370706069 513062824 /nfs/dbraw/zinc/06/28/24/513062824.db2.gz AEZSOAXYTIPGHT-UGKGYDQZSA-N 2 1 355.526 2.547 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000415960377 513500889 /nfs/dbraw/zinc/50/08/89/513500889.db2.gz QFJKSJNOQNHHKS-UHFFFAOYSA-N 2 1 363.465 2.757 20 30 FFEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481915594 515512944 /nfs/dbraw/zinc/51/29/44/515512944.db2.gz CKSYBKLUSUONBN-NRFANRHFSA-N 2 1 368.525 2.858 20 30 FFEDMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000536994946 516999454 /nfs/dbraw/zinc/99/94/54/516999454.db2.gz DWQKJTORSBPUGK-UHFFFAOYSA-N 2 1 374.504 2.757 20 30 FFEDMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000519908906 517238319 /nfs/dbraw/zinc/23/83/19/517238319.db2.gz WZAYJUFZCQLOPN-UHFFFAOYSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000517239888 518084614 /nfs/dbraw/zinc/08/46/14/518084614.db2.gz WOMFKQSSWWVQAS-UHFFFAOYSA-N 2 1 360.458 2.789 20 30 FFEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000566842240 518227274 /nfs/dbraw/zinc/22/72/74/518227274.db2.gz OVUSPWWWCJMZQM-UHFFFAOYSA-N 2 1 366.513 2.744 20 30 FFEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000576491336 518619686 /nfs/dbraw/zinc/61/96/86/518619686.db2.gz YDESUVLNQSCWNU-AEFFLSMTSA-N 2 1 367.497 2.817 20 30 FFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000608863865 520149457 /nfs/dbraw/zinc/14/94/57/520149457.db2.gz BKXFIGKFJGGYFI-HDICACEKSA-N 2 1 357.498 2.758 20 30 FFEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600722530 520424771 /nfs/dbraw/zinc/42/47/71/520424771.db2.gz GULSDRZQABZPLU-WIYYLYMNSA-N 2 1 371.525 2.873 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C#N)CCCCC3)CC2)CC1 ZINC000598315086 520553188 /nfs/dbraw/zinc/55/31/88/520553188.db2.gz INVLYBYVLHZHGL-UHFFFAOYSA-N 2 1 360.546 2.773 20 30 FFEDMP N#Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C(F)(F)F)c1 ZINC000595895760 520801416 /nfs/dbraw/zinc/80/14/16/520801416.db2.gz UWNNLXQTPZLHAZ-HNNXBMFYSA-N 2 1 353.388 2.764 20 30 FFEDMP N#Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C(F)(F)F)c1 ZINC000595895760 520801420 /nfs/dbraw/zinc/80/14/20/520801420.db2.gz UWNNLXQTPZLHAZ-HNNXBMFYSA-N 2 1 353.388 2.764 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974853 732305898 /nfs/dbraw/zinc/30/58/98/732305898.db2.gz VQFAYIVUNWLLGS-MSOLQXFVSA-N 2 1 361.917 2.875 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000876986717 732307413 /nfs/dbraw/zinc/30/74/13/732307413.db2.gz KUGSDCYDQJLBTH-SFHVURJKSA-N 2 1 361.873 2.998 20 30 FFEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000876986717 732307416 /nfs/dbraw/zinc/30/74/16/732307416.db2.gz KUGSDCYDQJLBTH-SFHVURJKSA-N 2 1 361.873 2.998 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042568 971399990 /nfs/dbraw/zinc/39/99/90/971399990.db2.gz XMBUNRNYMZIMSO-AQNXPRMDSA-N 2 1 367.578 2.752 20 30 FFEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042568 971399994 /nfs/dbraw/zinc/39/99/94/971399994.db2.gz XMBUNRNYMZIMSO-AQNXPRMDSA-N 2 1 367.578 2.752 20 30 FFEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001275879906 1013129698 /nfs/dbraw/zinc/12/96/98/1013129698.db2.gz RLCFVKHASKXYOI-JOCHJYFZSA-N 2 1 353.510 2.895 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211658955 972096307 /nfs/dbraw/zinc/09/63/07/972096307.db2.gz BZAREPYIYKKGPT-ZIBCJSCZSA-N 2 1 355.526 2.877 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001095439719 1013377503 /nfs/dbraw/zinc/37/75/03/1013377503.db2.gz AIQLZOCNHWXXJB-IFLJBQAJSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001095439719 1013377514 /nfs/dbraw/zinc/37/75/14/1013377514.db2.gz AIQLZOCNHWXXJB-IFLJBQAJSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001095439719 1013377526 /nfs/dbraw/zinc/37/75/26/1013377526.db2.gz AIQLZOCNHWXXJB-IFLJBQAJSA-N 2 1 366.509 2.510 20 30 FFEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001269770632 964295439 /nfs/dbraw/zinc/29/54/39/964295439.db2.gz PIMOGAVANBTDJE-TYPHKJRUSA-N 2 1 355.526 2.736 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1c1ccccc1 ZINC001211642959 969721144 /nfs/dbraw/zinc/72/11/44/969721144.db2.gz VQUIVXYNNJOSRA-FCHUYYIVSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579689 969830636 /nfs/dbraw/zinc/83/06/36/969830636.db2.gz ORGFGRSKSRFJTB-SFHLNBCPSA-N 2 1 359.558 2.881 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742948 970269608 /nfs/dbraw/zinc/26/96/08/970269608.db2.gz TXXQLEDIFDIMFZ-GDBMZVCRSA-N 2 1 352.910 2.833 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106869 972829834 /nfs/dbraw/zinc/82/98/34/972829834.db2.gz VAIUPFYJIIVBRW-FUHIMQAGSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106869 972829843 /nfs/dbraw/zinc/82/98/43/972829843.db2.gz VAIUPFYJIIVBRW-FUHIMQAGSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106869 972829852 /nfs/dbraw/zinc/82/98/52/972829852.db2.gz VAIUPFYJIIVBRW-FUHIMQAGSA-N 2 1 351.510 2.555 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129521 972974373 /nfs/dbraw/zinc/97/43/73/972974373.db2.gz RUNDHVSYSHAWEQ-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129521 972974380 /nfs/dbraw/zinc/97/43/80/972974380.db2.gz RUNDHVSYSHAWEQ-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129521 972974390 /nfs/dbraw/zinc/97/43/90/972974390.db2.gz RUNDHVSYSHAWEQ-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129521 972974398 /nfs/dbraw/zinc/97/43/98/972974398.db2.gz RUNDHVSYSHAWEQ-SQNIBIBYSA-N 2 1 353.938 2.782 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cn1 ZINC000262500739 973841579 /nfs/dbraw/zinc/84/15/79/973841579.db2.gz KOMRCDVASXUOHN-QGZVFWFLSA-N 2 1 362.437 2.504 20 30 FFEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000303906513 974164591 /nfs/dbraw/zinc/16/45/91/974164591.db2.gz WDXKQIBEIZVWIT-OAQYLSRUSA-N 2 1 366.509 2.956 20 30 FFEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000305081871 974221486 /nfs/dbraw/zinc/22/14/86/974221486.db2.gz SOBWMKPBNZDZJP-UHFFFAOYSA-N 2 1 357.546 2.515 20 30 FFEDMP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000262557380 974295915 /nfs/dbraw/zinc/29/59/15/974295915.db2.gz VHDQVEQLDRGZRU-UZLBHIALSA-N 2 1 364.493 2.861 20 30 FFEDMP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000262557380 974295920 /nfs/dbraw/zinc/29/59/20/974295920.db2.gz VHDQVEQLDRGZRU-UZLBHIALSA-N 2 1 364.493 2.861 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810185 976619444 /nfs/dbraw/zinc/61/94/44/976619444.db2.gz LTVGTYQINBBTCD-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810185 976619449 /nfs/dbraw/zinc/61/94/49/976619449.db2.gz LTVGTYQINBBTCD-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810185 976619457 /nfs/dbraw/zinc/61/94/57/976619457.db2.gz LTVGTYQINBBTCD-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)C1 ZINC001088810185 976619463 /nfs/dbraw/zinc/61/94/63/976619463.db2.gz LTVGTYQINBBTCD-UIFIKXQLSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877402 1014407238 /nfs/dbraw/zinc/40/72/38/1014407238.db2.gz UXARJDCWHFWZME-ZEVBXJOLSA-N 2 1 366.509 2.609 20 30 FFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876877402 1014407242 /nfs/dbraw/zinc/40/72/42/1014407242.db2.gz UXARJDCWHFWZME-ZEVBXJOLSA-N 2 1 366.509 2.609 20 30 FFEDMP CCCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343323 984459722 /nfs/dbraw/zinc/45/97/22/984459722.db2.gz WHAQBSKWQCHRBJ-SFHLNBCPSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343323 984459727 /nfs/dbraw/zinc/45/97/27/984459727.db2.gz WHAQBSKWQCHRBJ-SFHLNBCPSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343323 984459728 /nfs/dbraw/zinc/45/97/28/984459728.db2.gz WHAQBSKWQCHRBJ-SFHLNBCPSA-N 2 1 365.562 2.648 20 30 FFEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343323 984459732 /nfs/dbraw/zinc/45/97/32/984459732.db2.gz WHAQBSKWQCHRBJ-SFHLNBCPSA-N 2 1 365.562 2.648 20 30 FFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447837 985833607 /nfs/dbraw/zinc/83/36/07/985833607.db2.gz ZXXRVWWPRHZNJD-SFHVURJKSA-N 2 1 352.486 2.746 20 30 FFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447837 985833619 /nfs/dbraw/zinc/83/36/19/985833619.db2.gz ZXXRVWWPRHZNJD-SFHVURJKSA-N 2 1 352.486 2.746 20 30 FFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447837 985833631 /nfs/dbraw/zinc/83/36/31/985833631.db2.gz ZXXRVWWPRHZNJD-SFHVURJKSA-N 2 1 352.486 2.746 20 30 FFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173447837 985833642 /nfs/dbraw/zinc/83/36/42/985833642.db2.gz ZXXRVWWPRHZNJD-SFHVURJKSA-N 2 1 352.486 2.746 20 30 FFEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@H]1CCc2ccccc21 ZINC000174054065 986072666 /nfs/dbraw/zinc/07/26/66/986072666.db2.gz ZNORHWPVXYJGIX-LJQANCHMSA-N 2 1 374.492 2.971 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001089180348 986508204 /nfs/dbraw/zinc/50/82/04/986508204.db2.gz PDPXEMXVFLHXOG-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001089180348 986508206 /nfs/dbraw/zinc/50/82/06/986508206.db2.gz PDPXEMXVFLHXOG-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001089180348 986508207 /nfs/dbraw/zinc/50/82/07/986508207.db2.gz PDPXEMXVFLHXOG-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001089180348 986508211 /nfs/dbraw/zinc/50/82/11/986508211.db2.gz PDPXEMXVFLHXOG-JRGCBEDISA-N 2 1 368.525 2.711 20 30 FFEDMP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000878864645 1015258454 /nfs/dbraw/zinc/25/84/54/1015258454.db2.gz JIIFTSVBUFQMQA-UHFFFAOYSA-N 2 1 368.525 2.968 20 30 FFEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001106667872 988615336 /nfs/dbraw/zinc/61/53/36/988615336.db2.gz AKFHPQZLGAREOA-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620771 990005463 /nfs/dbraw/zinc/00/54/63/990005463.db2.gz AQTRECFDSZNTBN-AVRDEDQJSA-N 2 1 365.477 2.877 20 30 FFEDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620771 990005467 /nfs/dbraw/zinc/00/54/67/990005467.db2.gz AQTRECFDSZNTBN-AVRDEDQJSA-N 2 1 365.477 2.877 20 30 FFEDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620774 990005674 /nfs/dbraw/zinc/00/56/74/990005674.db2.gz AQTRECFDSZNTBN-GCJKJVERSA-N 2 1 365.477 2.877 20 30 FFEDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000702620774 990005681 /nfs/dbraw/zinc/00/56/81/990005681.db2.gz AQTRECFDSZNTBN-GCJKJVERSA-N 2 1 365.477 2.877 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC#Cc3ccc(F)cc3)CCC2)CC[N@H+]1C ZINC001484633997 991712589 /nfs/dbraw/zinc/71/25/89/991712589.db2.gz CLHKCPGIABKQEL-VQTJNVASSA-N 2 1 371.500 2.536 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079174872 991847793 /nfs/dbraw/zinc/84/77/93/991847793.db2.gz KJMSDMGVYKCRJN-RCCFBDPRSA-N 2 1 365.880 2.556 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079300314 991955349 /nfs/dbraw/zinc/95/53/49/991955349.db2.gz BPRZMDYEWAYTJG-DFQSSKMNSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311133 992012816 /nfs/dbraw/zinc/01/28/16/992012816.db2.gz QNUSVCCCYMCLSV-XKGZKEIXSA-N 2 1 359.489 2.628 20 30 FFEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311129 992945061 /nfs/dbraw/zinc/94/50/61/992945061.db2.gz SCFMGCMIQUERRU-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311129 992945069 /nfs/dbraw/zinc/94/50/69/992945069.db2.gz SCFMGCMIQUERRU-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311129 992945073 /nfs/dbraw/zinc/94/50/73/992945073.db2.gz SCFMGCMIQUERRU-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001080311129 992945079 /nfs/dbraw/zinc/94/50/79/992945079.db2.gz SCFMGCMIQUERRU-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2C)CC1 ZINC001080997627 993547241 /nfs/dbraw/zinc/54/72/41/993547241.db2.gz HHYXBEJLXHKYJJ-WIYYLYMNSA-N 2 1 371.569 2.739 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001080998318 993549028 /nfs/dbraw/zinc/54/90/28/993549028.db2.gz YOBWDRYFAOFFHP-DENIHFKCSA-N 2 1 367.537 2.585 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001086700688 995321403 /nfs/dbraw/zinc/32/14/03/995321403.db2.gz GKLJYPFDWHAUFV-QGWWYQLQSA-N 2 1 374.554 2.725 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCC4CCCC4)C[C@H]32)CC1 ZINC001084851103 997644333 /nfs/dbraw/zinc/64/43/33/997644333.db2.gz MXKFVCIJWAKWBR-FGZHOGPDSA-N 2 1 371.569 2.835 20 30 FFEDMP COC(=O)[C@@H]([NH3+])Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171184837 998557194 /nfs/dbraw/zinc/55/71/94/998557194.db2.gz QFOPZMKLEYPOOX-IBGZPJMESA-N 2 1 363.417 2.625 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997811 998601685 /nfs/dbraw/zinc/60/16/85/998601685.db2.gz AUFKPJWWWVDUOQ-BPQIPLTHSA-N 2 1 351.922 2.536 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997811 998601688 /nfs/dbraw/zinc/60/16/88/998601688.db2.gz AUFKPJWWWVDUOQ-BPQIPLTHSA-N 2 1 351.922 2.536 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018716 998688087 /nfs/dbraw/zinc/68/80/87/998688087.db2.gz MDUJXINVIRDAEC-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018716 998688093 /nfs/dbraw/zinc/68/80/93/998688093.db2.gz MDUJXINVIRDAEC-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001085204083 999158320 /nfs/dbraw/zinc/15/83/20/999158320.db2.gz UDTVJUFGVLARFF-SJFSSXKUSA-N 2 1 372.488 2.555 20 30 FFEDMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000846008095 1000193351 /nfs/dbraw/zinc/19/33/51/1000193351.db2.gz UBVBDVDVQSPHQM-NRFANRHFSA-N 2 1 353.466 2.664 20 30 FFEDMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001109724189 1000899806 /nfs/dbraw/zinc/89/98/06/1000899806.db2.gz GJJDFFOCGCWREK-HKBOAZHASA-N 2 1 367.537 2.738 20 30 FFEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001109724189 1000899809 /nfs/dbraw/zinc/89/98/09/1000899809.db2.gz GJJDFFOCGCWREK-HKBOAZHASA-N 2 1 367.537 2.738 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001109724189 1000899811 /nfs/dbraw/zinc/89/98/11/1000899811.db2.gz GJJDFFOCGCWREK-HKBOAZHASA-N 2 1 367.537 2.738 20 30 FFEDMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)CC(C)(C)C ZINC001109724189 1000899813 /nfs/dbraw/zinc/89/98/13/1000899813.db2.gz GJJDFFOCGCWREK-HKBOAZHASA-N 2 1 367.537 2.738 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001109957659 1001209554 /nfs/dbraw/zinc/20/95/54/1001209554.db2.gz OHXMEXWZCXUAFF-FYQPLNBISA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001109957659 1001209559 /nfs/dbraw/zinc/20/95/59/1001209559.db2.gz OHXMEXWZCXUAFF-FYQPLNBISA-N 2 1 363.546 2.565 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092189589 1002481863 /nfs/dbraw/zinc/48/18/63/1002481863.db2.gz GBYNFFGWRZGGDT-HJNYFJLDSA-N 2 1 355.526 2.820 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1C ZINC001092604929 1003215272 /nfs/dbraw/zinc/21/52/72/1003215272.db2.gz QWENPFOTNVWMDC-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092604929 1003215283 /nfs/dbraw/zinc/21/52/83/1003215283.db2.gz QWENPFOTNVWMDC-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001092604929 1003215290 /nfs/dbraw/zinc/21/52/90/1003215290.db2.gz QWENPFOTNVWMDC-FCEUIQTBSA-N 2 1 367.537 2.595 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC)[NH+](C)C ZINC001489132029 1005416731 /nfs/dbraw/zinc/41/67/31/1005416731.db2.gz DTPFAKFDKJUWHB-OTWHNJEPSA-N 2 1 360.477 2.507 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CC)[NH+](C)C ZINC001489132029 1005416732 /nfs/dbraw/zinc/41/67/32/1005416732.db2.gz DTPFAKFDKJUWHB-OTWHNJEPSA-N 2 1 360.477 2.507 20 30 FFEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000883173961 1006684462 /nfs/dbraw/zinc/68/44/62/1006684462.db2.gz XRMKBZJTDLGUEZ-NHCUHLMSSA-N 2 1 371.525 2.678 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189135885 1006922383 /nfs/dbraw/zinc/92/23/83/1006922383.db2.gz QSPLDPMGEQOETE-QKLQHJQFSA-N 2 1 351.510 2.698 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189135885 1006922385 /nfs/dbraw/zinc/92/23/85/1006922385.db2.gz QSPLDPMGEQOETE-QKLQHJQFSA-N 2 1 351.510 2.698 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000859213051 1008488284 /nfs/dbraw/zinc/48/82/84/1008488284.db2.gz TWJDCRJVZZTTKN-GOSISDBHSA-N 2 1 368.506 2.919 20 30 FFEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000859213051 1008488288 /nfs/dbraw/zinc/48/82/88/1008488288.db2.gz TWJDCRJVZZTTKN-GOSISDBHSA-N 2 1 368.506 2.919 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968117 1009521990 /nfs/dbraw/zinc/52/19/90/1009521990.db2.gz MUICDOIRSYDTNW-DNVCBOLYSA-N 2 1 363.933 2.841 20 30 FFEDMP CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001181982101 1010326973 /nfs/dbraw/zinc/32/69/73/1010326973.db2.gz GCCMQJKDRZNJEY-ACRUOGEOSA-N 2 1 368.525 2.887 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001181999966 1010338929 /nfs/dbraw/zinc/33/89/29/1010338929.db2.gz CIMBFANHBVDJFZ-LJQANCHMSA-N 2 1 354.498 2.535 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095406132 1010454764 /nfs/dbraw/zinc/45/47/64/1010454764.db2.gz MZDGFBQOCAOZNZ-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(C#N)c1 ZINC001095406132 1010454768 /nfs/dbraw/zinc/45/47/68/1010454768.db2.gz MZDGFBQOCAOZNZ-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001095406132 1010454777 /nfs/dbraw/zinc/45/47/77/1010454777.db2.gz MZDGFBQOCAOZNZ-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001095406132 1010454781 /nfs/dbraw/zinc/45/47/81/1010454781.db2.gz MZDGFBQOCAOZNZ-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093835818 1010606269 /nfs/dbraw/zinc/60/62/69/1010606269.db2.gz LABPZVNFVANUOA-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094582788 1011265913 /nfs/dbraw/zinc/26/59/13/1011265913.db2.gz XMQOTZDODJHMLW-IFMALSPDSA-N 2 1 353.510 2.746 20 30 FFEDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986233 1012153731 /nfs/dbraw/zinc/15/37/31/1012153731.db2.gz VIJCINFTVDKZER-IRXDYDNUSA-N 2 1 350.507 2.552 20 30 FFEDMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C2)CC1 ZINC001172992179 1012196563 /nfs/dbraw/zinc/19/65/63/1012196563.db2.gz RSSMZLVTSXXCQC-SJORKVTESA-N 2 1 362.518 2.696 20 30 FFEDMP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000303777539 1012428213 /nfs/dbraw/zinc/42/82/13/1012428213.db2.gz IXSWXYXGZWLKMY-GOSISDBHSA-N 2 1 368.481 2.747 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000303874396 1012478834 /nfs/dbraw/zinc/47/88/34/1012478834.db2.gz DAWQUIXUIJUYQW-QGZVFWFLSA-N 2 1 371.460 2.902 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303904079 1012514317 /nfs/dbraw/zinc/51/43/17/1012514317.db2.gz YPMREDPTGCZYKN-HNNXBMFYSA-N 2 1 368.481 2.877 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303904079 1012514332 /nfs/dbraw/zinc/51/43/32/1012514332.db2.gz YPMREDPTGCZYKN-HNNXBMFYSA-N 2 1 368.481 2.877 20 30 FFEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001048565277 1020317522 /nfs/dbraw/zinc/31/75/22/1020317522.db2.gz POVHGDZQSDCXPD-BLCKVISQSA-N 2 1 367.537 2.877 20 30 FFEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001048565277 1020317533 /nfs/dbraw/zinc/31/75/33/1020317533.db2.gz POVHGDZQSDCXPD-BLCKVISQSA-N 2 1 367.537 2.877 20 30 FFEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001048565277 1020317544 /nfs/dbraw/zinc/31/75/44/1020317544.db2.gz POVHGDZQSDCXPD-BLCKVISQSA-N 2 1 367.537 2.877 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098836960 1021215300 /nfs/dbraw/zinc/21/53/00/1021215300.db2.gz KDRBVKWCJNTABV-IPJJNNNSSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098836960 1021215311 /nfs/dbraw/zinc/21/53/11/1021215311.db2.gz KDRBVKWCJNTABV-IPJJNNNSSA-N 2 1 357.542 2.635 20 30 FFEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098836960 1021215322 /nfs/dbraw/zinc/21/53/22/1021215322.db2.gz KDRBVKWCJNTABV-IPJJNNNSSA-N 2 1 357.542 2.635 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1cccc(C#N)c1)C2 ZINC001099026969 1021625562 /nfs/dbraw/zinc/62/55/62/1021625562.db2.gz IRTJNCNQXHLVTI-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001099026969 1021625569 /nfs/dbraw/zinc/62/55/69/1021625569.db2.gz IRTJNCNQXHLVTI-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001099026969 1021625576 /nfs/dbraw/zinc/62/55/76/1021625576.db2.gz IRTJNCNQXHLVTI-XJABCFGWSA-N 2 1 366.509 2.513 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)N1CC#N ZINC001119516268 1022830428 /nfs/dbraw/zinc/83/04/28/1022830428.db2.gz SSFGXTMPQWZIKM-KDURUIRLSA-N 2 1 369.557 2.635 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001111303935 1023705547 /nfs/dbraw/zinc/70/55/47/1023705547.db2.gz HUYONICRFPXJFM-OLMNPRSZSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001111303935 1023705554 /nfs/dbraw/zinc/70/55/54/1023705554.db2.gz HUYONICRFPXJFM-OLMNPRSZSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001111303935 1023705558 /nfs/dbraw/zinc/70/55/58/1023705558.db2.gz HUYONICRFPXJFM-OLMNPRSZSA-N 2 1 360.527 2.573 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001111303935 1023705562 /nfs/dbraw/zinc/70/55/62/1023705562.db2.gz HUYONICRFPXJFM-OLMNPRSZSA-N 2 1 360.527 2.573 20 30 FFEDMP C#CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000757776896 1023859130 /nfs/dbraw/zinc/85/91/30/1023859130.db2.gz CVUNPUGDFYJTLZ-RTWAWAEBSA-N 2 1 370.541 2.809 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121582944 1023863530 /nfs/dbraw/zinc/86/35/30/1023863530.db2.gz YVMHCLWXCHUUIX-ROUUACIJSA-N 2 1 358.534 2.543 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121582944 1023863536 /nfs/dbraw/zinc/86/35/36/1023863536.db2.gz YVMHCLWXCHUUIX-ROUUACIJSA-N 2 1 358.534 2.543 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223024141 1033248665 /nfs/dbraw/zinc/24/86/65/1033248665.db2.gz SJCOVMSCEJHMEJ-XLIONFOSSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223024141 1033248679 /nfs/dbraw/zinc/24/86/79/1033248679.db2.gz SJCOVMSCEJHMEJ-XLIONFOSSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223024141 1033248690 /nfs/dbraw/zinc/24/86/90/1033248690.db2.gz SJCOVMSCEJHMEJ-XLIONFOSSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC001223024141 1033248701 /nfs/dbraw/zinc/24/87/01/1033248701.db2.gz SJCOVMSCEJHMEJ-XLIONFOSSA-N 2 1 368.525 2.711 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000838624307 1026443446 /nfs/dbraw/zinc/44/34/46/1026443446.db2.gz QTOUYYCIBICYDW-UHFFFAOYSA-N 2 1 356.514 2.792 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103148179 1027005351 /nfs/dbraw/zinc/00/53/51/1027005351.db2.gz QYSGEHKBNOHZOX-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103148179 1027005360 /nfs/dbraw/zinc/00/53/60/1027005360.db2.gz QYSGEHKBNOHZOX-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103148179 1027005368 /nfs/dbraw/zinc/00/53/68/1027005368.db2.gz QYSGEHKBNOHZOX-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434177 1027474858 /nfs/dbraw/zinc/47/48/58/1027474858.db2.gz SGXHPMRABDSYCN-RZUBCFFCSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434177 1027474866 /nfs/dbraw/zinc/47/48/66/1027474866.db2.gz SGXHPMRABDSYCN-RZUBCFFCSA-N 2 1 367.537 2.597 20 30 FFEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434177 1027474873 /nfs/dbraw/zinc/47/48/73/1027474873.db2.gz SGXHPMRABDSYCN-RZUBCFFCSA-N 2 1 367.537 2.597 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001103448667 1027499480 /nfs/dbraw/zinc/49/94/80/1027499480.db2.gz XGWITCNYSURXEM-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP Cc1ccc2nc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c(C#N)c(Cl)c2c1 ZINC001160516906 1027734196 /nfs/dbraw/zinc/73/41/96/1027734196.db2.gz MSNUHWRVTPSUOQ-LJQANCHMSA-N 2 1 355.873 2.903 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001164578614 1029329734 /nfs/dbraw/zinc/32/97/34/1029329734.db2.gz JQEVSAYBGVRYLC-LEWJYISDSA-N 2 1 367.537 2.645 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905504 1029710212 /nfs/dbraw/zinc/71/02/12/1029710212.db2.gz FQZQHGBUXVZESA-FPOVZHCZSA-N 2 1 365.562 2.650 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905504 1029710215 /nfs/dbraw/zinc/71/02/15/1029710215.db2.gz FQZQHGBUXVZESA-FPOVZHCZSA-N 2 1 365.562 2.650 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100963 1030005522 /nfs/dbraw/zinc/00/55/22/1030005522.db2.gz RTSPIZJLKHFNHV-BZUAXINKSA-N 2 1 361.452 2.804 20 30 FFEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001112355904 1030642175 /nfs/dbraw/zinc/64/21/75/1030642175.db2.gz XNRVAQBHDDBUOD-QTEQDKRBSA-N 2 1 371.569 2.883 20 30 FFEDMP C[C@@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000843406894 1031385291 /nfs/dbraw/zinc/38/52/91/1031385291.db2.gz MRPJYDQYRJRBPL-NRFANRHFSA-N 2 1 360.465 2.603 20 30 FFEDMP C[C@@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000843406894 1031385308 /nfs/dbraw/zinc/38/53/08/1031385308.db2.gz MRPJYDQYRJRBPL-NRFANRHFSA-N 2 1 360.465 2.603 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415323 1031727920 /nfs/dbraw/zinc/72/79/20/1031727920.db2.gz OIHXAVJIAYJTCM-QHAWAJNXSA-N 2 1 371.500 2.607 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223962162 1033663141 /nfs/dbraw/zinc/66/31/41/1033663141.db2.gz JDPXGIFSJZHRNG-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223962162 1033663147 /nfs/dbraw/zinc/66/31/47/1033663147.db2.gz JDPXGIFSJZHRNG-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223962162 1033663156 /nfs/dbraw/zinc/66/31/56/1033663156.db2.gz JDPXGIFSJZHRNG-RTWAWAEBSA-N 2 1 368.525 2.713 20 30 FFEDMP N#Cc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001232477684 1035723113 /nfs/dbraw/zinc/72/31/13/1035723113.db2.gz FAMNMHKFIUPPPV-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP N#Cc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001232477684 1035723124 /nfs/dbraw/zinc/72/31/24/1035723124.db2.gz FAMNMHKFIUPPPV-UHFFFAOYSA-N 2 1 362.477 2.820 20 30 FFEDMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(C#Cc4ccccc4)s3)C2)C1 ZINC001236080385 1037923276 /nfs/dbraw/zinc/92/32/76/1037923276.db2.gz WIWLFNBHRSJPEI-IBGZPJMESA-N 2 1 351.519 2.755 20 30 FFEDMP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001278973593 1038647603 /nfs/dbraw/zinc/64/76/03/1038647603.db2.gz VXUKFIUBSZUSJU-ZHALLVOQSA-N 2 1 365.481 2.706 20 30 FFEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001278638389 1039359298 /nfs/dbraw/zinc/35/92/98/1039359298.db2.gz VMCYQVVBHDAQDZ-NRFANRHFSA-N 2 1 358.505 2.937 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094545 1039942343 /nfs/dbraw/zinc/94/23/43/1039942343.db2.gz FGYLEODPSXQNGL-WIYYLYMNSA-N 2 1 368.525 2.761 20 30 FFEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCC#N)cc1 ZINC001280181186 1044362577 /nfs/dbraw/zinc/36/25/77/1044362577.db2.gz HGCDXVHHLUMPAX-BGYRXZFFSA-N 2 1 356.514 2.579 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CCN(CCC[NH+](C)C)CC3)C2)cc1C#N ZINC001280220879 1044414839 /nfs/dbraw/zinc/41/48/39/1044414839.db2.gz LBVAMOUHYXWIDS-UHFFFAOYSA-N 2 1 357.546 2.526 20 30 FFEDMP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](CCC[NH+](C)C)CC3)C2)cc1C#N ZINC001280220879 1044414843 /nfs/dbraw/zinc/41/48/43/1044414843.db2.gz LBVAMOUHYXWIDS-UHFFFAOYSA-N 3 1 357.546 2.526 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CCC[NH+](C)C)CC3)C2)cc1C#N ZINC001280220879 1044414847 /nfs/dbraw/zinc/41/48/47/1044414847.db2.gz LBVAMOUHYXWIDS-UHFFFAOYSA-N 3 1 357.546 2.526 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N(C)CCCCCC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001316726085 1044654417 /nfs/dbraw/zinc/65/44/17/1044654417.db2.gz GJTSZNXAQXUPAI-IFMALSPDSA-N 2 1 369.553 2.987 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001317036496 1045056134 /nfs/dbraw/zinc/05/61/34/1045056134.db2.gz FRVIPPZRNOUCLA-CEMLEFRQSA-N 2 1 367.537 2.549 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317036496 1045056147 /nfs/dbraw/zinc/05/61/47/1045056147.db2.gz FRVIPPZRNOUCLA-CEMLEFRQSA-N 2 1 367.537 2.549 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001317036496 1045056158 /nfs/dbraw/zinc/05/61/58/1045056158.db2.gz FRVIPPZRNOUCLA-CEMLEFRQSA-N 2 1 367.537 2.549 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001330588223 1049218523 /nfs/dbraw/zinc/21/85/23/1049218523.db2.gz KFAGWIPKXMMSFY-OAQYLSRUSA-N 2 1 360.461 2.980 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001346670265 1053204286 /nfs/dbraw/zinc/20/42/86/1053204286.db2.gz GXBAURXWKMSDMH-SFHVURJKSA-N 2 1 372.561 2.728 20 30 FFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000849113806 1056766443 /nfs/dbraw/zinc/76/64/43/1056766443.db2.gz KDTIXJVDVCEQIX-IBGZPJMESA-N 2 1 356.514 2.605 20 30 FFEDMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001480296035 1063042502 /nfs/dbraw/zinc/04/25/02/1063042502.db2.gz PHPVGFOBQKWLHK-NRSPTQNISA-N 2 1 355.526 2.736 20 30 FFEDMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OCCCC#N ZINC001579216081 1078591489 /nfs/dbraw/zinc/59/14/89/1078591489.db2.gz BIRJONKNWPQFMB-HNNXBMFYSA-N 2 1 353.413 2.712 20 30 FFEDMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001565985249 1076830127 /nfs/dbraw/zinc/83/01/27/1076830127.db2.gz AWEILFAQWVRPME-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001566975934 1076991737 /nfs/dbraw/zinc/99/17/37/1076991737.db2.gz BQOBQTDWTALKCB-OQKKPVTDSA-N 2 1 367.537 2.733 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566975934 1076991739 /nfs/dbraw/zinc/99/17/39/1076991739.db2.gz BQOBQTDWTALKCB-OQKKPVTDSA-N 2 1 367.537 2.733 20 30 FFEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001566975934 1076991742 /nfs/dbraw/zinc/99/17/42/1076991742.db2.gz BQOBQTDWTALKCB-OQKKPVTDSA-N 2 1 367.537 2.733 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)CCC[NH2+]1 ZINC001574504490 1078003950 /nfs/dbraw/zinc/00/39/50/1078003950.db2.gz JHVJXHFENZQQBG-JZJXAQOMSA-N 2 1 353.510 2.642 20 30 FFEDMP C#CC[C@]1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)CCC[NH2+]1 ZINC001574504490 1078003957 /nfs/dbraw/zinc/00/39/57/1078003957.db2.gz JHVJXHFENZQQBG-JZJXAQOMSA-N 2 1 353.510 2.642 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000371333199 512336525 /nfs/dbraw/zinc/33/65/25/512336525.db2.gz CNTGDKPOCPJUOS-FQEVSTJZSA-N 2 1 373.541 2.860 20 30 FFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000371338089 512340205 /nfs/dbraw/zinc/34/02/05/512340205.db2.gz YLIIIZGPABJYAB-OAQYLSRUSA-N 2 1 370.541 2.969 20 30 FFEDMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000072694597 507843962 /nfs/dbraw/zinc/84/39/62/507843962.db2.gz DLVAFLUKUNNCAG-QGZVFWFLSA-N 2 1 372.513 2.708 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000157588723 508584824 /nfs/dbraw/zinc/58/48/24/508584824.db2.gz FJXKMSMPSADZPE-LJQANCHMSA-N 2 1 359.558 2.835 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000264336001 509464328 /nfs/dbraw/zinc/46/43/28/509464328.db2.gz GVMKGVJGBQVYCX-UHFFFAOYSA-N 2 1 356.514 2.554 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268614352 510036287 /nfs/dbraw/zinc/03/62/87/510036287.db2.gz WXFIFKGANJHSQG-HXUWFJFHSA-N 2 1 356.514 2.553 20 30 FFEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000245864842 510177120 /nfs/dbraw/zinc/17/71/20/510177120.db2.gz SUSPYXLXHXCDJM-SFTDATJTSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000245864842 510177126 /nfs/dbraw/zinc/17/71/26/510177126.db2.gz SUSPYXLXHXCDJM-SFTDATJTSA-N 2 1 371.525 2.886 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175477173 510659908 /nfs/dbraw/zinc/65/99/08/510659908.db2.gz YWIPBBGRNGLCFW-GOSISDBHSA-N 2 1 358.530 2.847 20 30 FFEDMP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000175763388 510777634 /nfs/dbraw/zinc/77/76/34/510777634.db2.gz CHDVUFYFSVITNH-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP CCC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175763388 510777644 /nfs/dbraw/zinc/77/76/44/510777644.db2.gz CHDVUFYFSVITNH-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175763388 510777650 /nfs/dbraw/zinc/77/76/50/510777650.db2.gz CHDVUFYFSVITNH-UHFFFAOYSA-N 2 1 371.529 2.507 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000330035545 510903921 /nfs/dbraw/zinc/90/39/21/510903921.db2.gz XMWLRSYMXSWTCE-MRXNPFEDSA-N 2 1 358.490 2.648 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000330035545 510903925 /nfs/dbraw/zinc/90/39/25/510903925.db2.gz XMWLRSYMXSWTCE-MRXNPFEDSA-N 2 1 358.490 2.648 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000330089385 510913767 /nfs/dbraw/zinc/91/37/67/510913767.db2.gz OQEKKSVFMMQXOZ-UHFFFAOYSA-N 2 1 358.490 2.649 20 30 FFEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000330089385 510913775 /nfs/dbraw/zinc/91/37/75/510913775.db2.gz OQEKKSVFMMQXOZ-UHFFFAOYSA-N 2 1 358.490 2.649 20 30 FFEDMP CC(C)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278724476 511005117 /nfs/dbraw/zinc/00/51/17/511005117.db2.gz TYNTVDCOYULESO-UHFFFAOYSA-N 2 1 352.486 2.821 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000295009832 511251639 /nfs/dbraw/zinc/25/16/39/511251639.db2.gz MREXXKLRTQCMEW-AWEZNQCLSA-N 2 1 355.404 2.967 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000295009832 511251645 /nfs/dbraw/zinc/25/16/45/511251645.db2.gz MREXXKLRTQCMEW-AWEZNQCLSA-N 2 1 355.404 2.967 20 30 FFEDMP Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000328602909 511891140 /nfs/dbraw/zinc/89/11/40/511891140.db2.gz HIPMSQMGPJLPBT-AEFFLSMTSA-N 2 1 359.518 2.921 20 30 FFEDMP COc1cc(C)[nH+]c(CN2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000328885779 511945022 /nfs/dbraw/zinc/94/50/22/511945022.db2.gz ZJNFQAQQEVLCNX-UHFFFAOYSA-N 2 1 360.502 2.805 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000371825314 512591588 /nfs/dbraw/zinc/59/15/88/512591588.db2.gz RXJBXOASFDNZCN-NRFANRHFSA-N 2 1 371.500 2.784 20 30 FFEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000371825314 512591591 /nfs/dbraw/zinc/59/15/91/512591591.db2.gz RXJBXOASFDNZCN-NRFANRHFSA-N 2 1 371.500 2.784 20 30 FFEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000421348617 513231745 /nfs/dbraw/zinc/23/17/45/513231745.db2.gz WOAMZEOJOZIDSP-FQEVSTJZSA-N 2 1 353.441 2.944 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000420396689 514129887 /nfs/dbraw/zinc/12/98/87/514129887.db2.gz WALGQKNWFAFXGY-RXVVDRJESA-N 2 1 359.514 2.692 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000420396690 514130136 /nfs/dbraw/zinc/13/01/36/514130136.db2.gz WALGQKNWFAFXGY-WIYYLYMNSA-N 2 1 359.514 2.692 20 30 FFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424126051 514390266 /nfs/dbraw/zinc/39/02/66/514390266.db2.gz BBNCFENGFYHTPB-FUHIMQAGSA-N 2 1 356.514 2.802 20 30 FFEDMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](CC)CC ZINC000522849320 516329916 /nfs/dbraw/zinc/32/99/16/516329916.db2.gz NXKSLTYDPWYSJJ-HXUWFJFHSA-N 2 1 356.514 2.713 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)C(C)C ZINC000551655024 516805993 /nfs/dbraw/zinc/80/59/93/516805993.db2.gz CHMVICBQPXUOBU-GOSISDBHSA-N 2 1 359.518 2.717 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1C ZINC000530239136 517646963 /nfs/dbraw/zinc/64/69/63/517646963.db2.gz DGXKUCUANDWFII-IBGZPJMESA-N 2 1 359.514 2.564 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1scc(C)c1C#N ZINC000565164123 518819313 /nfs/dbraw/zinc/81/93/13/518819313.db2.gz SRAJEILVDILDON-HNNXBMFYSA-N 2 1 363.531 2.808 20 30 FFEDMP C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317426 519097640 /nfs/dbraw/zinc/09/76/40/519097640.db2.gz VOPDPCHDMVUUTI-GXRSIYKFSA-N 2 1 360.542 2.772 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC000571551629 519153430 /nfs/dbraw/zinc/15/34/30/519153430.db2.gz QLXNMGLTTZYVOV-GJEJWFRCSA-N 2 1 360.498 2.708 20 30 FFEDMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)C[C@@H](C)O1 ZINC000594437284 519964211 /nfs/dbraw/zinc/96/42/11/519964211.db2.gz ASSSXXDXZSAJRN-MDZRGWNJSA-N 2 1 358.486 2.646 20 30 FFEDMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000603110679 520086162 /nfs/dbraw/zinc/08/61/62/520086162.db2.gz OWIKBSLLIACUTQ-QGZVFWFLSA-N 2 1 360.527 2.923 20 30 FFEDMP CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000609046803 520183045 /nfs/dbraw/zinc/18/30/45/520183045.db2.gz DWEUOAXDLILRGY-UHFFFAOYSA-N 2 1 372.513 2.606 20 30 FFEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000592753015 520559315 /nfs/dbraw/zinc/55/93/15/520559315.db2.gz SCQYLVPOYKXPCF-KRWDZBQOSA-N 2 1 367.497 2.859 20 30 FFEDMP C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596689255 521222980 /nfs/dbraw/zinc/22/29/80/521222980.db2.gz IBAALQZDJWTGSO-DLBZAZTESA-N 2 1 359.518 2.533 20 30 FFEDMP C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596689255 521222985 /nfs/dbraw/zinc/22/29/85/521222985.db2.gz IBAALQZDJWTGSO-DLBZAZTESA-N 2 1 359.518 2.533 20 30 FFEDMP CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660268 521373206 /nfs/dbraw/zinc/37/32/06/521373206.db2.gz LOCYDSLUKHAYLD-UHFFFAOYSA-N 2 1 364.493 2.758 20 30 FFEDMP CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660268 521373211 /nfs/dbraw/zinc/37/32/11/521373211.db2.gz LOCYDSLUKHAYLD-UHFFFAOYSA-N 2 1 364.493 2.758 20 30 FFEDMP N#CC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000602547888 521406410 /nfs/dbraw/zinc/40/64/10/521406410.db2.gz KENYDDZRRQKLKW-AJPWXKBRSA-N 2 1 354.498 2.556 20 30 FFEDMP N#CC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000602547895 521406459 /nfs/dbraw/zinc/40/64/59/521406459.db2.gz KENYDDZRRQKLKW-NQKNOSNGSA-N 2 1 354.498 2.556 20 30 FFEDMP C=CCOc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000619176608 521435263 /nfs/dbraw/zinc/43/52/63/521435263.db2.gz GGAMAWLSCKPVHG-UHFFFAOYSA-N 2 1 352.438 2.651 20 30 FFEDMP C=CC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)CC1 ZINC000819750622 599541095 /nfs/dbraw/zinc/54/10/95/599541095.db2.gz HQHZMBGXDLTZIU-UHFFFAOYSA-N 2 1 363.469 2.516 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)cc1 ZINC000104159849 728500678 /nfs/dbraw/zinc/50/06/78/728500678.db2.gz KBFNWUNSJJTCFL-CQSZACIVSA-N 2 1 358.408 2.516 20 30 FFEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261952729 729655328 /nfs/dbraw/zinc/65/53/28/729655328.db2.gz HVASQVJVOIWZAU-APWZRJJASA-N 2 1 362.543 2.573 20 30 FFEDMP [NH2+]=C(NCCc1cccs1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303863201 729735042 /nfs/dbraw/zinc/73/50/42/729735042.db2.gz ABGDWTWUSBXWOF-GOSISDBHSA-N 2 1 356.539 2.760 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862276603 730684957 /nfs/dbraw/zinc/68/49/57/730684957.db2.gz VYXVJPFWVBSDST-HNNXBMFYSA-N 2 1 359.461 2.871 20 30 FFEDMP CN1CCC(CNc2cc(C#N)sc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000892695145 734592092 /nfs/dbraw/zinc/59/20/92/734592092.db2.gz GPKNXBGBPZENRA-UHFFFAOYSA-N 2 1 363.487 2.890 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819334657 742376201 /nfs/dbraw/zinc/37/62/01/742376201.db2.gz IWDLZAABSBFJGK-MRXNPFEDSA-N 2 1 373.722 2.855 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819334657 742376207 /nfs/dbraw/zinc/37/62/07/742376207.db2.gz IWDLZAABSBFJGK-MRXNPFEDSA-N 2 1 373.722 2.855 20 30 FFEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000852859673 749965748 /nfs/dbraw/zinc/96/57/48/749965748.db2.gz ZCLFQSPYNQUURJ-LJQANCHMSA-N 2 1 359.901 2.596 20 30 FFEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305067399 1013075000 /nfs/dbraw/zinc/07/50/00/1013075000.db2.gz NKGXDQONIJCOFI-UHFFFAOYSA-N 2 1 357.546 2.515 20 30 FFEDMP C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261939317 964758080 /nfs/dbraw/zinc/75/80/80/964758080.db2.gz DGZPFFQSDVRKAL-RDTXWAMCSA-N 2 1 369.538 2.958 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087477119 965661551 /nfs/dbraw/zinc/66/15/51/965661551.db2.gz WEZDMDAKDQFXIS-SFTDATJTSA-N 2 1 371.525 2.641 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723019 967602602 /nfs/dbraw/zinc/60/26/02/967602602.db2.gz GIJJOYKSOGFGHA-GUDVDZBRSA-N 2 1 360.498 2.990 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087569804 968194264 /nfs/dbraw/zinc/19/42/64/968194264.db2.gz NQLXUMJCMIJLCB-BDTNDASRSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC#Cc1ccccc1 ZINC001087569804 968194270 /nfs/dbraw/zinc/19/42/70/968194270.db2.gz NQLXUMJCMIJLCB-BDTNDASRSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC#Cc1ccccc1 ZINC001087569804 968194275 /nfs/dbraw/zinc/19/42/75/968194275.db2.gz NQLXUMJCMIJLCB-BDTNDASRSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC#Cc1ccccc1 ZINC001087569804 968194282 /nfs/dbraw/zinc/19/42/82/968194282.db2.gz NQLXUMJCMIJLCB-BDTNDASRSA-N 2 1 367.537 2.880 20 30 FFEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000305744242 1014154311 /nfs/dbraw/zinc/15/43/11/1014154311.db2.gz LIDPYDKMYLERPY-UHFFFAOYSA-N 2 1 371.573 2.951 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1ccccc1 ZINC001211684252 975174905 /nfs/dbraw/zinc/17/49/05/975174905.db2.gz PCUSBQZEFZQSPZ-VQTJNVASSA-N 2 1 364.493 2.614 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178564465 977347351 /nfs/dbraw/zinc/34/73/51/977347351.db2.gz SFFLYPSTUSHGQO-KRWDZBQOSA-N 2 1 360.502 2.531 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178577496 977380893 /nfs/dbraw/zinc/38/08/93/977380893.db2.gz WWTASLXCPCBQLN-IBGZPJMESA-N 2 1 352.482 2.764 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCC4=CCCCC4)C[C@H]32)CC1 ZINC001076605444 979708850 /nfs/dbraw/zinc/70/88/50/979708850.db2.gz AVKHGIVDSQACJY-FCHUYYIVSA-N 2 1 369.553 2.755 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563408 981121063 /nfs/dbraw/zinc/12/10/63/981121063.db2.gz PLNBDDGMIITKAD-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563408 981121068 /nfs/dbraw/zinc/12/10/68/981121068.db2.gz PLNBDDGMIITKAD-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563408 981121070 /nfs/dbraw/zinc/12/10/70/981121070.db2.gz PLNBDDGMIITKAD-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088563408 981121073 /nfs/dbraw/zinc/12/10/73/981121073.db2.gz PLNBDDGMIITKAD-UXPWSPDFSA-N 2 1 354.498 2.510 20 30 FFEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088620533 981871325 /nfs/dbraw/zinc/87/13/25/981871325.db2.gz OWTAFOMEDHHTGA-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)C1 ZINC001088620533 981871331 /nfs/dbraw/zinc/87/13/31/981871331.db2.gz OWTAFOMEDHHTGA-QMMLZNLJSA-N 2 1 368.525 2.615 20 30 FFEDMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC001107583058 984743322 /nfs/dbraw/zinc/74/33/22/984743322.db2.gz NJEAJTSFUNCIDR-FYYLOGMGSA-N 2 1 367.537 2.741 20 30 FFEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[N@H+](C)CC)CCC[C@@H]12 ZINC001107606705 984785655 /nfs/dbraw/zinc/78/56/55/984785655.db2.gz GPGBNXIJCCUUDW-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)CC)CCC[C@@H]12 ZINC001107606705 984785662 /nfs/dbraw/zinc/78/56/62/984785662.db2.gz GPGBNXIJCCUUDW-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)CC)CCC[C@@H]12 ZINC001107606705 984785667 /nfs/dbraw/zinc/78/56/67/984785667.db2.gz GPGBNXIJCCUUDW-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)N(C)C)CCC[C@@H]12 ZINC001107646749 984938082 /nfs/dbraw/zinc/93/80/82/984938082.db2.gz UMHBNHQYVGXQAX-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646749 984938085 /nfs/dbraw/zinc/93/80/85/984938085.db2.gz UMHBNHQYVGXQAX-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646749 984938087 /nfs/dbraw/zinc/93/80/87/984938087.db2.gz UMHBNHQYVGXQAX-KCZVDYSFSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001112539587 985467532 /nfs/dbraw/zinc/46/75/32/985467532.db2.gz IRCRZXKVDTYQNG-RXVVDRJESA-N 2 1 356.514 2.638 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403452 986144107 /nfs/dbraw/zinc/14/41/07/986144107.db2.gz KNXIDNCYXCVQRM-XUVXKRRUSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403452 986144111 /nfs/dbraw/zinc/14/41/11/986144111.db2.gz KNXIDNCYXCVQRM-XUVXKRRUSA-N 2 1 367.578 2.750 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403452 986144116 /nfs/dbraw/zinc/14/41/16/986144116.db2.gz KNXIDNCYXCVQRM-XUVXKRRUSA-N 2 1 367.578 2.750 20 30 FFEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000965212800 1015291815 /nfs/dbraw/zinc/29/18/15/1015291815.db2.gz VULPQLKRQAETHT-PGUJWAORSA-N 2 1 353.510 2.535 20 30 FFEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667200 988212459 /nfs/dbraw/zinc/21/24/59/988212459.db2.gz HPSWQQZZTBTGSE-RTWAWAEBSA-N 2 1 355.526 2.879 20 30 FFEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000922388863 988534658 /nfs/dbraw/zinc/53/46/58/988534658.db2.gz RWDLDPGCMFIGQZ-TZSPXAHUSA-N 2 1 357.498 2.547 20 30 FFEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001106684582 988630632 /nfs/dbraw/zinc/63/06/32/988630632.db2.gz GGCUKZDTVNJDBX-NMIHRBCNSA-N 2 1 369.553 2.982 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001034217298 989976148 /nfs/dbraw/zinc/97/61/48/989976148.db2.gz QCVDLCYDWJNUFS-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001034217298 989976154 /nfs/dbraw/zinc/97/61/54/989976154.db2.gz QCVDLCYDWJNUFS-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001034217298 989976160 /nfs/dbraw/zinc/97/61/60/989976160.db2.gz QCVDLCYDWJNUFS-PCCBWWKXSA-N 2 1 368.525 2.759 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154754 991856732 /nfs/dbraw/zinc/85/67/32/991856732.db2.gz UMWSSEXXNUUWFN-QHAWAJNXSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159173 991862595 /nfs/dbraw/zinc/86/25/95/991862595.db2.gz NECMXWADSSOJMV-LSTHTHJFSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079298984 991986811 /nfs/dbraw/zinc/98/68/11/991986811.db2.gz QMFTYFHEIRKIMN-SLYNCCJLSA-N 2 1 371.500 2.606 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001107036689 993285929 /nfs/dbraw/zinc/28/59/29/993285929.db2.gz PKHUXCMJOIYOTR-CEMLEFRQSA-N 2 1 367.537 2.597 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082558406 994929044 /nfs/dbraw/zinc/92/90/44/994929044.db2.gz OTNXFWAAIJZJJG-JRGCBEDISA-N 2 1 368.525 2.758 20 30 FFEDMP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040876 1015929181 /nfs/dbraw/zinc/92/91/81/1015929181.db2.gz BVDMXRMAZWZNJL-PCCBWWKXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040876 1015929194 /nfs/dbraw/zinc/92/91/94/1015929194.db2.gz BVDMXRMAZWZNJL-PCCBWWKXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040876 1015929203 /nfs/dbraw/zinc/92/92/03/1015929203.db2.gz BVDMXRMAZWZNJL-PCCBWWKXSA-N 2 1 355.526 2.836 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000730105150 996853352 /nfs/dbraw/zinc/85/33/52/996853352.db2.gz BOTBLALWWRHHSQ-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000730105150 996853359 /nfs/dbraw/zinc/85/33/59/996853359.db2.gz BOTBLALWWRHHSQ-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000730105150 996853372 /nfs/dbraw/zinc/85/33/72/996853372.db2.gz BOTBLALWWRHHSQ-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000730105150 996853385 /nfs/dbraw/zinc/85/33/85/996853385.db2.gz BOTBLALWWRHHSQ-NQIIRXRSSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000730105957 996855914 /nfs/dbraw/zinc/85/59/14/996855914.db2.gz RNGOPMYNMUSOLL-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000730105957 996855920 /nfs/dbraw/zinc/85/59/20/996855920.db2.gz RNGOPMYNMUSOLL-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000730105957 996855926 /nfs/dbraw/zinc/85/59/26/996855926.db2.gz RNGOPMYNMUSOLL-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000730105957 996855930 /nfs/dbraw/zinc/85/59/30/996855930.db2.gz RNGOPMYNMUSOLL-RXVVDRJESA-N 2 1 353.510 2.775 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC4CCC(C)CC4)C[C@H]32)CC1 ZINC001084850882 997642712 /nfs/dbraw/zinc/64/27/12/997642712.db2.gz AWTCLOYKSCNMLK-SLMMIHQXSA-N 2 1 371.569 2.691 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)CC1 ZINC000844715969 998087940 /nfs/dbraw/zinc/08/79/40/998087940.db2.gz OTHVGPQZBLKQLL-ZCNNSNEGSA-N 2 1 367.537 2.842 20 30 FFEDMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1)[NH+](C)C ZINC001084964721 998400967 /nfs/dbraw/zinc/40/09/67/998400967.db2.gz MZCDVHNESLSMBS-FSSWDIPSSA-N 2 1 367.537 2.547 20 30 FFEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014709 998676703 /nfs/dbraw/zinc/67/67/03/998676703.db2.gz XXBRRNRHWYFHRF-GIVPXCGWSA-N 2 1 357.542 2.730 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014709 998676707 /nfs/dbraw/zinc/67/67/07/998676707.db2.gz XXBRRNRHWYFHRF-GIVPXCGWSA-N 2 1 357.542 2.730 20 30 FFEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014709 998676712 /nfs/dbraw/zinc/67/67/12/998676712.db2.gz XXBRRNRHWYFHRF-GIVPXCGWSA-N 2 1 357.542 2.730 20 30 FFEDMP C#CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000743152486 999801069 /nfs/dbraw/zinc/80/10/69/999801069.db2.gz WTGZUQJJXLDYRL-LJQANCHMSA-N 2 1 372.513 2.578 20 30 FFEDMP C#CCNC(=O)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000769024349 1000408736 /nfs/dbraw/zinc/40/87/36/1000408736.db2.gz DGPYAOUXOTVIQR-UHFFFAOYSA-N 2 1 355.526 2.606 20 30 FFEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109561873 1000646102 /nfs/dbraw/zinc/64/61/02/1000646102.db2.gz SCDCEOKJDMCZCI-AABGKKOBSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561873 1000646108 /nfs/dbraw/zinc/64/61/08/1000646108.db2.gz SCDCEOKJDMCZCI-AABGKKOBSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561873 1000646114 /nfs/dbraw/zinc/64/61/14/1000646114.db2.gz SCDCEOKJDMCZCI-AABGKKOBSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276166404 1016445073 /nfs/dbraw/zinc/44/50/73/1016445073.db2.gz KIDNWPWSSKOEAG-OAQYLSRUSA-N 2 1 350.466 2.934 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC001276166404 1016445080 /nfs/dbraw/zinc/44/50/80/1016445080.db2.gz KIDNWPWSSKOEAG-OAQYLSRUSA-N 2 1 350.466 2.934 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843553 1001071105 /nfs/dbraw/zinc/07/11/05/1001071105.db2.gz PZEDYAAOYHTFPD-ZRNYENFQSA-N 2 1 363.546 2.565 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843553 1001071113 /nfs/dbraw/zinc/07/11/13/1001071113.db2.gz PZEDYAAOYHTFPD-ZRNYENFQSA-N 2 1 363.546 2.565 20 30 FFEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000785996310 1001515507 /nfs/dbraw/zinc/51/55/07/1001515507.db2.gz CVYJURSZINMSSE-LJQANCHMSA-N 2 1 356.514 2.808 20 30 FFEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000785996310 1001515511 /nfs/dbraw/zinc/51/55/11/1001515511.db2.gz CVYJURSZINMSSE-LJQANCHMSA-N 2 1 356.514 2.808 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCC(C)(C)C)C[C@@]3(C)C2)CC1 ZINC001092300259 1002627790 /nfs/dbraw/zinc/62/77/90/1002627790.db2.gz UGWSSTFBRQRKSH-KNQAVFIVSA-N 2 1 359.558 2.548 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCCC4CCC4)C[C@@]3(C)C2)CC1 ZINC001092299766 1002627842 /nfs/dbraw/zinc/62/78/42/1002627842.db2.gz HKDKIVLHOFDZDI-GGAORHGYSA-N 2 1 371.569 2.692 20 30 FFEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596620 1002630988 /nfs/dbraw/zinc/63/09/88/1002630988.db2.gz KYHGQEBWJVTDRS-PWRODBHTSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596620 1002630998 /nfs/dbraw/zinc/63/09/98/1002630998.db2.gz KYHGQEBWJVTDRS-PWRODBHTSA-N 2 1 355.526 2.877 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596620 1002630999 /nfs/dbraw/zinc/63/09/99/1002630999.db2.gz KYHGQEBWJVTDRS-PWRODBHTSA-N 2 1 355.526 2.877 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001092605259 1003216391 /nfs/dbraw/zinc/21/63/91/1003216391.db2.gz YKMSTOXVDNZVMD-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092605259 1003216396 /nfs/dbraw/zinc/21/63/96/1003216396.db2.gz YKMSTOXVDNZVMD-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001092605259 1003216400 /nfs/dbraw/zinc/21/64/00/1003216400.db2.gz YKMSTOXVDNZVMD-DUXKGJEZSA-N 2 1 368.525 2.615 20 30 FFEDMP CCCCCCCCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001201838704 1005277719 /nfs/dbraw/zinc/27/77/19/1005277719.db2.gz DNSGIPZYIONAEB-WOJBJXKFSA-N 2 1 367.578 2.848 20 30 FFEDMP CCCCCCCCC[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001201838704 1005277724 /nfs/dbraw/zinc/27/77/24/1005277724.db2.gz DNSGIPZYIONAEB-WOJBJXKFSA-N 2 1 367.578 2.848 20 30 FFEDMP CCCCCCCCC[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001201838704 1005277727 /nfs/dbraw/zinc/27/77/27/1005277727.db2.gz DNSGIPZYIONAEB-WOJBJXKFSA-N 2 1 367.578 2.848 20 30 FFEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001488772775 1005368086 /nfs/dbraw/zinc/36/80/86/1005368086.db2.gz NCQKUNWHVBWKBM-PMXSJFBMSA-N 2 1 355.526 2.782 20 30 FFEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001488891089 1005372353 /nfs/dbraw/zinc/37/23/53/1005372353.db2.gz AWLGXHKSQMGAMI-HBMCJLEFSA-N 2 1 355.526 2.877 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001488891402 1005372679 /nfs/dbraw/zinc/37/26/79/1005372679.db2.gz OQAUHEKPVSYQMN-FCHUYYIVSA-N 2 1 367.537 2.860 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652702 1006740730 /nfs/dbraw/zinc/74/07/30/1006740730.db2.gz NVGHDKFEGYPDQM-QZTJIDSGSA-N 2 1 367.493 2.529 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000815652702 1006740741 /nfs/dbraw/zinc/74/07/41/1006740741.db2.gz NVGHDKFEGYPDQM-QZTJIDSGSA-N 2 1 367.493 2.529 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001086785995 1007387942 /nfs/dbraw/zinc/38/79/42/1007387942.db2.gz DQZCQGPSMQJBGT-LRGNLBRXSA-N 2 1 368.525 2.663 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCCCC=C)C[C@H]32)CC1 ZINC001190318182 1007567950 /nfs/dbraw/zinc/56/79/50/1007567950.db2.gz PDAVHQRBBLEKMP-LEWJYISDSA-N 2 1 357.542 2.611 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001178518016 1009016162 /nfs/dbraw/zinc/01/61/62/1009016162.db2.gz GASHJVIMSOKLJF-YLJYHZDGSA-N 2 1 356.514 2.665 20 30 FFEDMP N#Cc1ccccc1N1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000866448833 1010997431 /nfs/dbraw/zinc/99/74/31/1010997431.db2.gz NFQFHXPYOSMFJK-OAQYLSRUSA-N 2 1 368.525 2.760 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276338316 1011943474 /nfs/dbraw/zinc/94/34/74/1011943474.db2.gz HZWVTYDKSITABG-UNMCSNQZSA-N 2 1 355.526 2.832 20 30 FFEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172970619 1012138590 /nfs/dbraw/zinc/13/85/90/1012138590.db2.gz IBPFCEIMWOGPRX-ZACQAIPSSA-N 2 1 350.507 2.600 20 30 FFEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976442 1012146370 /nfs/dbraw/zinc/14/63/70/1012146370.db2.gz PSWSAIXCFHOBNK-JCECYMMASA-N 2 1 362.518 2.883 20 30 FFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976442 1012146379 /nfs/dbraw/zinc/14/63/79/1012146379.db2.gz PSWSAIXCFHOBNK-JCECYMMASA-N 2 1 362.518 2.883 20 30 FFEDMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984863 1012153825 /nfs/dbraw/zinc/15/38/25/1012153825.db2.gz NUSLFZHBYYBGOB-IRXDYDNUSA-N 2 1 350.507 2.696 20 30 FFEDMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984863 1012153835 /nfs/dbraw/zinc/15/38/35/1012153835.db2.gz NUSLFZHBYYBGOB-IRXDYDNUSA-N 2 1 350.507 2.696 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000303779612 1012427314 /nfs/dbraw/zinc/42/73/14/1012427314.db2.gz KRXFJWXOWWNFTA-NQIIRXRSSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000303779612 1012427323 /nfs/dbraw/zinc/42/73/23/1012427323.db2.gz KRXFJWXOWWNFTA-NQIIRXRSSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000303779612 1012427334 /nfs/dbraw/zinc/42/73/34/1012427334.db2.gz KRXFJWXOWWNFTA-NQIIRXRSSA-N 3 1 371.573 2.950 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000303783979 1012429186 /nfs/dbraw/zinc/42/91/86/1012429186.db2.gz OTAXXQZRUAUAJR-FQEVSTJZSA-N 3 1 357.546 2.561 20 30 FFEDMP CC(C)(CCCc1ccccc1)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304497594 1012742985 /nfs/dbraw/zinc/74/29/85/1012742985.db2.gz FGAOYMPSIIUYRS-UHFFFAOYSA-N 2 1 360.546 2.662 20 30 FFEDMP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)c1 ZINC001111455205 1017943590 /nfs/dbraw/zinc/94/35/90/1017943590.db2.gz RGRKYRHMKATLJK-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052730695 1018069759 /nfs/dbraw/zinc/06/97/59/1018069759.db2.gz DACARPNSKAVERI-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052730695 1018069772 /nfs/dbraw/zinc/06/97/72/1018069772.db2.gz DACARPNSKAVERI-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001052730695 1018069785 /nfs/dbraw/zinc/06/97/85/1018069785.db2.gz DACARPNSKAVERI-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758082 1032821548 /nfs/dbraw/zinc/82/15/48/1032821548.db2.gz UPRMAJANCYQYKK-RBBKRZOGSA-N 2 1 353.510 2.585 20 30 FFEDMP C=CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758082 1032821565 /nfs/dbraw/zinc/82/15/65/1032821565.db2.gz UPRMAJANCYQYKK-RBBKRZOGSA-N 2 1 353.510 2.585 20 30 FFEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001101550759 1024886132 /nfs/dbraw/zinc/88/61/32/1024886132.db2.gz YMVRJOSIZGHKLR-IEBWSBKVSA-N 2 1 365.562 2.526 20 30 FFEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001101550759 1024886148 /nfs/dbraw/zinc/88/61/48/1024886148.db2.gz YMVRJOSIZGHKLR-IEBWSBKVSA-N 2 1 365.562 2.526 20 30 FFEDMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001095862430 1025114256 /nfs/dbraw/zinc/11/42/56/1025114256.db2.gz KXZSPYXDOQJOEV-AABGKKOBSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001095862430 1025114265 /nfs/dbraw/zinc/11/42/65/1025114265.db2.gz KXZSPYXDOQJOEV-AABGKKOBSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001095862452 1025114522 /nfs/dbraw/zinc/11/45/22/1025114522.db2.gz LUMMYBZNWNHUIU-AABGKKOBSA-N 2 1 366.509 2.654 20 30 FFEDMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001095862452 1025114530 /nfs/dbraw/zinc/11/45/30/1025114530.db2.gz LUMMYBZNWNHUIU-AABGKKOBSA-N 2 1 366.509 2.654 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599041 1026395216 /nfs/dbraw/zinc/39/52/16/1026395216.db2.gz MOMTWVFVNRFIJU-WIYYLYMNSA-N 2 1 368.525 2.618 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000838623958 1026444319 /nfs/dbraw/zinc/44/43/19/1026444319.db2.gz ZFEFGRCHFWOMQO-CTNGQTDRSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000838623958 1026444326 /nfs/dbraw/zinc/44/43/26/1026444326.db2.gz ZFEFGRCHFWOMQO-CTNGQTDRSA-N 2 1 370.541 2.809 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000838623958 1026444330 /nfs/dbraw/zinc/44/43/30/1026444330.db2.gz ZFEFGRCHFWOMQO-CTNGQTDRSA-N 2 1 370.541 2.809 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001103219073 1027071033 /nfs/dbraw/zinc/07/10/33/1027071033.db2.gz ODPMZNWDIZGHPG-IAGOWNOFSA-N 2 1 353.470 2.531 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437419 1027485134 /nfs/dbraw/zinc/48/51/34/1027485134.db2.gz YHNSKDMPNJHCRK-KBRIMQKVSA-N 2 1 364.921 2.581 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001103437419 1027485141 /nfs/dbraw/zinc/48/51/41/1027485141.db2.gz YHNSKDMPNJHCRK-KBRIMQKVSA-N 2 1 364.921 2.581 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001103752702 1028137914 /nfs/dbraw/zinc/13/79/14/1028137914.db2.gz VKNMPIGTGRQQJX-WIYYLYMNSA-N 2 1 361.574 2.842 20 30 FFEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001112150947 1030103985 /nfs/dbraw/zinc/10/39/85/1030103985.db2.gz SXCJAEHOOPRTRK-ARFHVFGLSA-N 2 1 361.452 2.663 20 30 FFEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001112355862 1030639719 /nfs/dbraw/zinc/63/97/19/1030639719.db2.gz UZZUNJVDLNSHDJ-QTEQDKRBSA-N 2 1 371.569 2.883 20 30 FFEDMP N#Cc1ccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c[nH]c2c1 ZINC001142917134 1031049946 /nfs/dbraw/zinc/04/99/46/1031049946.db2.gz SZPBAVVAOOLORV-UHFFFAOYSA-N 2 1 374.492 2.890 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412361 1031723356 /nfs/dbraw/zinc/72/33/56/1031723356.db2.gz KNRRMOINXJDCMH-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001205573182 1031842824 /nfs/dbraw/zinc/84/28/24/1031842824.db2.gz VWBXFLBEUWEUAI-DFQSSKMNSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799128 1033345412 /nfs/dbraw/zinc/34/54/12/1033345412.db2.gz KLXYHNFFLCQCLH-WOJBJXKFSA-N 2 1 367.537 2.891 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001220868774 1034438893 /nfs/dbraw/zinc/43/88/93/1034438893.db2.gz UBXHYTYOMFCSEM-HKUYNNGSSA-N 2 1 359.514 2.500 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC001139771714 1035226869 /nfs/dbraw/zinc/22/68/69/1035226869.db2.gz MGKZRCXRWUDQJM-UHFFFAOYSA-N 2 1 366.509 2.936 20 30 FFEDMP N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001140113252 1035345507 /nfs/dbraw/zinc/34/55/07/1035345507.db2.gz UJNBDCNQCZHOHO-UHFFFAOYSA-N 2 1 374.492 2.890 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277734381 1036154385 /nfs/dbraw/zinc/15/43/85/1036154385.db2.gz JSAWJPXFIMGLEH-CTNGQTDRSA-N 2 1 367.578 2.584 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000836447400 1036554032 /nfs/dbraw/zinc/55/40/32/1036554032.db2.gz XVOCNCNOPKTDDI-HXUWFJFHSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000836447400 1036554042 /nfs/dbraw/zinc/55/40/42/1036554042.db2.gz XVOCNCNOPKTDDI-HXUWFJFHSA-N 2 1 370.541 2.541 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000836447400 1036554055 /nfs/dbraw/zinc/55/40/55/1036554055.db2.gz XVOCNCNOPKTDDI-HXUWFJFHSA-N 2 1 370.541 2.541 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001230284474 1037195691 /nfs/dbraw/zinc/19/56/91/1037195691.db2.gz GQOGDMJRFIBFKD-RTBURBONSA-N 2 1 360.477 2.555 20 30 FFEDMP C=CCCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)Cc1cccnc1 ZINC001230781335 1037354336 /nfs/dbraw/zinc/35/43/36/1037354336.db2.gz KIARUMYAUYRUDW-RTBURBONSA-N 2 1 367.497 2.883 20 30 FFEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)[NH+](CC)CC ZINC001208571011 1038417847 /nfs/dbraw/zinc/41/78/47/1038417847.db2.gz GRFNJLVUOBLQMN-NSISKUIASA-N 2 1 356.514 2.615 20 30 FFEDMP C#CCCN1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528681 1038547026 /nfs/dbraw/zinc/54/70/26/1038547026.db2.gz JMONPJFOWWGIMI-NRSPTQNISA-N 2 1 353.510 2.643 20 30 FFEDMP C=CCOCc1ncn2c1C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001256858968 1038637617 /nfs/dbraw/zinc/63/76/17/1038637617.db2.gz GQKHZBXNZGIYRN-UHFFFAOYSA-N 2 1 367.497 2.855 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001246031148 1039202771 /nfs/dbraw/zinc/20/27/71/1039202771.db2.gz JFVHHMIFFRWPEM-SFTDATJTSA-N 2 1 370.578 2.959 20 30 FFEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246031148 1039202787 /nfs/dbraw/zinc/20/27/87/1039202787.db2.gz JFVHHMIFFRWPEM-SFTDATJTSA-N 2 1 370.578 2.959 20 30 FFEDMP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246198097 1039275211 /nfs/dbraw/zinc/27/52/11/1039275211.db2.gz CNFOZJYZKGUBTJ-GHBBCFCZSA-N 2 1 355.482 2.715 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700256 1039442336 /nfs/dbraw/zinc/44/23/36/1039442336.db2.gz ITLQKPMZJXXCSP-RYTRXMBJSA-N 2 1 353.510 2.631 20 30 FFEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@@H]2c2ccccc2)C1=O ZINC001246700256 1039442348 /nfs/dbraw/zinc/44/23/48/1039442348.db2.gz ITLQKPMZJXXCSP-RYTRXMBJSA-N 2 1 353.510 2.631 20 30 FFEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764412 1039471062 /nfs/dbraw/zinc/47/10/62/1039471062.db2.gz KGIWOFSFVQQMFV-BVYCBKJFSA-N 2 1 368.525 2.618 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164307 1040298819 /nfs/dbraw/zinc/29/88/19/1040298819.db2.gz RVBBWJIBCHHWNQ-RTBURBONSA-N 2 1 358.486 2.734 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434861 1040547591 /nfs/dbraw/zinc/54/75/91/1040547591.db2.gz NRRTUSPRKUTSSH-GUDVDZBRSA-N 2 1 353.551 2.669 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434611 1040550447 /nfs/dbraw/zinc/55/04/47/1040550447.db2.gz ITRAFYLLUUCAML-CEXWTWQISA-N 2 1 355.567 2.893 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213575210 1040686603 /nfs/dbraw/zinc/68/66/03/1040686603.db2.gz YJIWKOGNZPKDHZ-PWIZWCRZSA-N 2 1 359.514 2.532 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655422 1040763688 /nfs/dbraw/zinc/76/36/88/1040763688.db2.gz PROAMACOQDNIIF-WOJBJXKFSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934536 1041912288 /nfs/dbraw/zinc/91/22/88/1041912288.db2.gz XKQIHMWZXNPCCC-WOJBJXKFSA-N 2 1 365.562 2.672 20 30 FFEDMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)co1 ZINC001279384482 1043041177 /nfs/dbraw/zinc/04/11/77/1043041177.db2.gz HPSJBSNZDIRUAD-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)co1 ZINC001279384482 1043041181 /nfs/dbraw/zinc/04/11/81/1043041181.db2.gz HPSJBSNZDIRUAD-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)co1 ZINC001279384482 1043041186 /nfs/dbraw/zinc/04/11/86/1043041186.db2.gz HPSJBSNZDIRUAD-HDICACEKSA-N 2 1 353.470 2.537 20 30 FFEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cscn4)C[C@H]3CC2)cc1C#N ZINC001279389280 1043044377 /nfs/dbraw/zinc/04/43/77/1043044377.db2.gz LIQUVDFTVMWARH-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cscn4)C[C@H]3CC2)cc1C#N ZINC001279389280 1043044383 /nfs/dbraw/zinc/04/43/83/1043044383.db2.gz LIQUVDFTVMWARH-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cscn4)C[C@H]3CC2)cc1C#N ZINC001279389280 1043044390 /nfs/dbraw/zinc/04/43/90/1043044390.db2.gz LIQUVDFTVMWARH-CALCHBBNSA-N 2 1 355.511 2.697 20 30 FFEDMP C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1 ZINC001279594870 1043312001 /nfs/dbraw/zinc/31/20/01/1043312001.db2.gz DZLYMEBYTFTQDE-JOCHJYFZSA-N 2 1 355.526 2.548 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC001335439142 1053363832 /nfs/dbraw/zinc/36/38/32/1053363832.db2.gz AWOWTZCOHFTXJR-QGZVFWFLSA-N 2 1 351.288 2.560 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001351859691 1055033939 /nfs/dbraw/zinc/03/39/39/1055033939.db2.gz AUSVRKLGJZNSLC-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001351859691 1055033956 /nfs/dbraw/zinc/03/39/56/1055033956.db2.gz AUSVRKLGJZNSLC-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001351859691 1055033968 /nfs/dbraw/zinc/03/39/68/1055033968.db2.gz AUSVRKLGJZNSLC-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP C=CCn1c([C@H]2CCCN2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338994555 1055998188 /nfs/dbraw/zinc/99/81/88/1055998188.db2.gz FUIIFPIQELOZLG-FUHWJXTLSA-N 2 1 358.534 2.541 20 30 FFEDMP C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001339068567 1056064627 /nfs/dbraw/zinc/06/46/27/1056064627.db2.gz NSCHUPAVYLXOMN-GOSISDBHSA-N 2 1 372.561 2.728 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500347399 1058472275 /nfs/dbraw/zinc/47/22/75/1058472275.db2.gz FKFQXMKHEKCKKS-VWPQPMDRSA-N 2 1 368.525 2.617 20 30 FFEDMP C#C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000848236014 1059443861 /nfs/dbraw/zinc/44/38/61/1059443861.db2.gz RINBEWZNIGOCTH-NRFANRHFSA-N 2 1 353.510 2.673 20 30 FFEDMP CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000848533818 1060235339 /nfs/dbraw/zinc/23/53/39/1060235339.db2.gz KIVWFUQOHUPPAL-RTBURBONSA-N 2 1 373.497 2.719 20 30 FFEDMP C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001460686773 1061060937 /nfs/dbraw/zinc/06/09/37/1061060937.db2.gz BBPOEHZEWURFRR-UHFFFAOYSA-N 2 1 370.497 2.514 20 30 FFEDMP C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001574921854 1078092929 /nfs/dbraw/zinc/09/29/29/1078092929.db2.gz LONDINNBKYGJFN-BZSNNMDCSA-N 2 1 360.550 2.978 20 30 FFEDMP CC(C)(C)[C@@]1(C[NH2+][C@H]2CCCN(O)C2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001560912893 1076309014 /nfs/dbraw/zinc/30/90/14/1076309014.db2.gz NYFIPCZUKDBXBG-GHTZIAJQSA-N 2 1 359.514 2.895 20 30 FFEDMP CC(C)(C)[C@@]1(C[NH2+][C@H]2CCCN(O)C2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001560912893 1076309019 /nfs/dbraw/zinc/30/90/19/1076309019.db2.gz NYFIPCZUKDBXBG-GHTZIAJQSA-N 2 1 359.514 2.895 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC/C=C\CCC)CC[C@@H]3C2)CC1 ZINC001566054474 1076881571 /nfs/dbraw/zinc/88/15/71/1076881571.db2.gz BUHVTPOXDVZBBZ-VEYQWQAPSA-N 2 1 371.569 2.858 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001566109429 1076914257 /nfs/dbraw/zinc/91/42/57/1076914257.db2.gz MVFZXMHABQPEGG-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001566109429 1076914260 /nfs/dbraw/zinc/91/42/60/1076914260.db2.gz MVFZXMHABQPEGG-BEFAXECRSA-N 2 1 360.477 2.508 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001567922673 1077060889 /nfs/dbraw/zinc/06/08/89/1077060889.db2.gz XJPPZYJSEDHVHX-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567922673 1077060893 /nfs/dbraw/zinc/06/08/93/1077060893.db2.gz XJPPZYJSEDHVHX-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567922673 1077060898 /nfs/dbraw/zinc/06/08/98/1077060898.db2.gz XJPPZYJSEDHVHX-NJYVYQBISA-N 2 1 355.526 2.831 20 30 FFEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCO1 ZINC000277947961 256259463 /nfs/dbraw/zinc/25/94/63/256259463.db2.gz RIOQUMXYGPKJSF-KRWDZBQOSA-N 2 1 367.497 2.549 20 30 FFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052208391 507802425 /nfs/dbraw/zinc/80/24/25/507802425.db2.gz LLMXIYKKPKDGOP-FQEVSTJZSA-N 2 1 359.514 2.742 20 30 FFEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820867 508102391 /nfs/dbraw/zinc/10/23/91/508102391.db2.gz RCSHBRHJFPNUBD-NRFANRHFSA-N 2 1 371.529 2.674 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N(C)CCC#N ZINC000112528187 508193927 /nfs/dbraw/zinc/19/39/27/508193927.db2.gz SHDRKJWOBZFINH-MSOLQXFVSA-N 2 1 356.514 2.911 20 30 FFEDMP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCN1CC[NH+](C)CC1 ZINC000129790995 508766825 /nfs/dbraw/zinc/76/68/25/508766825.db2.gz LUJPRMLJFVQRNC-UHFFFAOYSA-N 2 1 353.432 2.626 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000162816774 509307755 /nfs/dbraw/zinc/30/77/55/509307755.db2.gz FHDMTSGSCDZDMY-AABGKKOBSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000162816774 509307758 /nfs/dbraw/zinc/30/77/58/509307758.db2.gz FHDMTSGSCDZDMY-AABGKKOBSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000162816774 509307761 /nfs/dbraw/zinc/30/77/61/509307761.db2.gz FHDMTSGSCDZDMY-AABGKKOBSA-N 2 1 374.525 2.580 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186769204 509893024 /nfs/dbraw/zinc/89/30/24/509893024.db2.gz WZEILBZDPQMBCR-JOCHJYFZSA-N 2 1 370.541 2.991 20 30 FFEDMP C[NH+]=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)N(C)C ZINC000261989954 510139179 /nfs/dbraw/zinc/13/91/79/510139179.db2.gz RANURIAXDVVCNO-UHFFFAOYSA-N 2 1 353.308 2.551 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C(C)C ZINC000246050846 510265283 /nfs/dbraw/zinc/26/52/83/510265283.db2.gz YBNWAIGLDJQNIY-VAMGGRTRSA-N 2 1 362.562 2.811 20 30 FFEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000262553323 510315114 /nfs/dbraw/zinc/31/51/14/510315114.db2.gz UHXXZYJMLLOIEF-SJORKVTESA-N 2 1 354.454 2.845 20 30 FFEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000187678809 510384072 /nfs/dbraw/zinc/38/40/72/510384072.db2.gz RKBJKINUXFDCGZ-SFHVURJKSA-N 2 1 368.525 2.885 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000171907841 510445160 /nfs/dbraw/zinc/44/51/60/510445160.db2.gz NEHYVMRDLZFXPX-QGZVFWFLSA-N 2 1 350.551 2.837 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000172229887 510611710 /nfs/dbraw/zinc/61/17/10/510611710.db2.gz GAEMNRDCLBJLJN-FQEVSTJZSA-N 2 1 356.514 2.601 20 30 FFEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575607 510999310 /nfs/dbraw/zinc/99/93/10/510999310.db2.gz JREIKDUNZFWRKW-AQNXPRMDSA-N 2 1 353.514 2.608 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298968613 511468651 /nfs/dbraw/zinc/46/86/51/511468651.db2.gz PBTKFPNHMQQYDI-QILLFSRXSA-N 2 1 372.538 2.968 20 30 FFEDMP C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298968613 511468656 /nfs/dbraw/zinc/46/86/56/511468656.db2.gz PBTKFPNHMQQYDI-QILLFSRXSA-N 2 1 372.538 2.968 20 30 FFEDMP CC[N@H+]1CCCN(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CC1 ZINC000328847169 511940461 /nfs/dbraw/zinc/94/04/61/511940461.db2.gz QTOBNCHKPLXDLH-HNNXBMFYSA-N 2 1 365.547 2.948 20 30 FFEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000329238287 512011786 /nfs/dbraw/zinc/01/17/86/512011786.db2.gz LAMZSOLIWMWKMX-GOSISDBHSA-N 2 1 372.538 2.939 20 30 FFEDMP N#CC1(NC(=O)[C@@H]2CCn3ccnc3C2)CCN(Cc2ccccc2)CC1 ZINC000329251045 512014222 /nfs/dbraw/zinc/01/42/22/512014222.db2.gz URWIRXOILXYPQX-GOSISDBHSA-N 2 1 363.465 2.960 20 30 FFEDMP C[N@H+](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCSC1 ZINC000329362222 512034353 /nfs/dbraw/zinc/03/43/53/512034353.db2.gz HFGWYXKORINOID-INIZCTEOSA-N 2 1 363.527 2.669 20 30 FFEDMP C[N@@H+](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCSC1 ZINC000329362222 512034360 /nfs/dbraw/zinc/03/43/60/512034360.db2.gz HFGWYXKORINOID-INIZCTEOSA-N 2 1 363.527 2.669 20 30 FFEDMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000329744184 512093214 /nfs/dbraw/zinc/09/32/14/512093214.db2.gz QNFLEVSCVQTGOL-MOPGFXCFSA-N 2 1 371.529 2.963 20 30 FFEDMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000329744184 512093215 /nfs/dbraw/zinc/09/32/15/512093215.db2.gz QNFLEVSCVQTGOL-MOPGFXCFSA-N 2 1 371.529 2.963 20 30 FFEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000425536608 513626178 /nfs/dbraw/zinc/62/61/78/513626178.db2.gz OWRBXWRVMSOBFR-LAUBAEHRSA-N 2 1 364.493 2.970 20 30 FFEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000542267272 517475211 /nfs/dbraw/zinc/47/52/11/517475211.db2.gz URSXXUYGJHJPKC-KDURUIRLSA-N 2 1 371.525 2.843 20 30 FFEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000542267272 517475221 /nfs/dbraw/zinc/47/52/21/517475221.db2.gz URSXXUYGJHJPKC-KDURUIRLSA-N 2 1 371.525 2.843 20 30 FFEDMP C=CCN(CC=C)C(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557529958 518059225 /nfs/dbraw/zinc/05/92/25/518059225.db2.gz NUMDCMDOHXOKSS-NHCUHLMSSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000557529958 518059232 /nfs/dbraw/zinc/05/92/32/518059232.db2.gz NUMDCMDOHXOKSS-NHCUHLMSSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000557529958 518059238 /nfs/dbraw/zinc/05/92/38/518059238.db2.gz NUMDCMDOHXOKSS-NHCUHLMSSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000557529958 518059243 /nfs/dbraw/zinc/05/92/43/518059243.db2.gz NUMDCMDOHXOKSS-NHCUHLMSSA-N 2 1 353.510 2.641 20 30 FFEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000557529958 518059252 /nfs/dbraw/zinc/05/92/52/518059252.db2.gz NUMDCMDOHXOKSS-NHCUHLMSSA-N 2 1 353.510 2.641 20 30 FFEDMP COc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1C#N ZINC000581527207 518327500 /nfs/dbraw/zinc/32/75/00/518327500.db2.gz MIURWEFARCFISX-GOSISDBHSA-N 2 1 370.522 2.707 20 30 FFEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878076 519944812 /nfs/dbraw/zinc/94/48/12/519944812.db2.gz UCRCQEOAQCEXMH-QGZVFWFLSA-N 2 1 372.488 2.879 20 30 FFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440547 519967529 /nfs/dbraw/zinc/96/75/29/519967529.db2.gz FCDRWXGLHSTBEE-YLJYHZDGSA-N 2 1 356.514 2.946 20 30 FFEDMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443777 519969453 /nfs/dbraw/zinc/96/94/53/519969453.db2.gz UPPZZPKQXRUGMM-MISYRCLQSA-N 2 1 356.514 2.815 20 30 FFEDMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594454216 519975181 /nfs/dbraw/zinc/97/51/81/519975181.db2.gz UWLSBVLCPICMCM-GNBUJSLZSA-N 2 1 356.514 2.908 20 30 FFEDMP N#CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000595611598 520593187 /nfs/dbraw/zinc/59/31/87/520593187.db2.gz LWUVGTUZCXETID-LJQANCHMSA-N 2 1 354.498 2.524 20 30 FFEDMP N#CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000595611598 520593195 /nfs/dbraw/zinc/59/31/95/520593195.db2.gz LWUVGTUZCXETID-LJQANCHMSA-N 2 1 354.498 2.524 20 30 FFEDMP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000596090396 520906468 /nfs/dbraw/zinc/90/64/68/520906468.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000596090396 520906475 /nfs/dbraw/zinc/90/64/75/520906475.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 2 1 366.513 2.559 20 30 FFEDMP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000596090396 520906482 /nfs/dbraw/zinc/90/64/82/520906482.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 2 1 366.513 2.559 20 30 FFEDMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593368238 520943261 /nfs/dbraw/zinc/94/32/61/520943261.db2.gz BELCDDUOCVJZDL-UHFFFAOYSA-N 2 1 371.529 2.554 20 30 FFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599355099 521170265 /nfs/dbraw/zinc/17/02/65/521170265.db2.gz UEUOQOOUXSXYNO-OXQOHEQNSA-N 2 1 368.481 2.903 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596640918 521183341 /nfs/dbraw/zinc/18/33/41/521183341.db2.gz QJYNWXTURFXSLB-ZDUSSCGKSA-N 2 1 351.882 2.605 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596640918 521183352 /nfs/dbraw/zinc/18/33/52/521183352.db2.gz QJYNWXTURFXSLB-ZDUSSCGKSA-N 2 1 351.882 2.605 20 30 FFEDMP CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596693205 521225904 /nfs/dbraw/zinc/22/59/04/521225904.db2.gz TYPIBFWOGARELK-SFHVURJKSA-N 2 1 373.545 2.750 20 30 FFEDMP CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596693205 521225909 /nfs/dbraw/zinc/22/59/09/521225909.db2.gz TYPIBFWOGARELK-SFHVURJKSA-N 2 1 373.545 2.750 20 30 FFEDMP CC(C)[N@H+](C)Cc1nn(-c2nc3c(cc2C#N)CCCC3)c2c1CC[NH2+]C2 ZINC001164679724 719639066 /nfs/dbraw/zinc/63/90/66/719639066.db2.gz KKNSVNORHWEHAO-UHFFFAOYSA-N 2 1 364.497 2.504 20 30 FFEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc3c(cc2C#N)CCCC3)c2c1CC[NH2+]C2 ZINC001164679724 719639076 /nfs/dbraw/zinc/63/90/76/719639076.db2.gz KKNSVNORHWEHAO-UHFFFAOYSA-N 2 1 364.497 2.504 20 30 FFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NCCC(C)C)CC2)cs1 ZINC000178572485 729164895 /nfs/dbraw/zinc/16/48/95/729164895.db2.gz MOBYANXRKJSILK-UHFFFAOYSA-N 2 1 351.564 2.868 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)C[C@H]1CCOC1 ZINC000246177862 729581919 /nfs/dbraw/zinc/58/19/19/729581919.db2.gz SDPWRAWESKCXAV-RYRKJORJSA-N 2 1 364.559 2.675 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCCCO1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262369963 729664731 /nfs/dbraw/zinc/66/47/31/729664731.db2.gz JWCAZVBNAJGKSR-BQFCYCMXSA-N 2 1 364.559 2.865 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NCC1(O)CCCC1 ZINC000262807879 729671723 /nfs/dbraw/zinc/67/17/23/729671723.db2.gz UELFQYVIJOEYTQ-RDJZCZTQSA-N 2 1 364.559 2.601 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NCC1(O)CCCC1 ZINC000262807873 729671783 /nfs/dbraw/zinc/67/17/83/729671783.db2.gz UELFQYVIJOEYTQ-DOTOQJQBSA-N 2 1 364.559 2.601 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC(F)(F)F ZINC000303880089 729735250 /nfs/dbraw/zinc/73/52/50/729735250.db2.gz KAUAPMXCITWSHI-AWEZNQCLSA-N 2 1 358.408 2.516 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CSc1ccccc1OC ZINC000303975473 729736099 /nfs/dbraw/zinc/73/60/99/729736099.db2.gz IZZKZAWKOVNLOQ-JKSUJKDBSA-N 2 1 364.559 2.812 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862276604 730684941 /nfs/dbraw/zinc/68/49/41/730684941.db2.gz VYXVJPFWVBSDST-OAHLLOKOSA-N 2 1 359.461 2.871 20 30 FFEDMP C#CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000886362976 733777273 /nfs/dbraw/zinc/77/72/73/733777273.db2.gz VIQIPMCETOIHTD-QGZVFWFLSA-N 2 1 357.523 2.519 20 30 FFEDMP FC1(F)[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530572 738298361 /nfs/dbraw/zinc/29/83/61/738298361.db2.gz GZAXBXRLZFACEY-XHNCKOQMSA-N 2 1 352.269 2.699 20 30 FFEDMP FC1(F)[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530572 738298364 /nfs/dbraw/zinc/29/83/64/738298364.db2.gz GZAXBXRLZFACEY-XHNCKOQMSA-N 2 1 352.269 2.699 20 30 FFEDMP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039283256 742989729 /nfs/dbraw/zinc/98/97/29/742989729.db2.gz PDOTZQOVNZFVBS-OOHRUWKFSA-N 2 1 353.938 2.971 20 30 FFEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cc(F)ccc1F ZINC000262305168 971754595 /nfs/dbraw/zinc/75/45/95/971754595.db2.gz RGPOMDHDAZOQIX-QGZVFWFLSA-N 2 1 374.435 2.983 20 30 FFEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290835 962326494 /nfs/dbraw/zinc/32/64/94/962326494.db2.gz GAOCNTVHQSSFEN-AQNXPRMDSA-N 2 1 365.562 2.526 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001104306001 962892448 /nfs/dbraw/zinc/89/24/48/962892448.db2.gz FOCPRJBUPXBJEH-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001104306001 962892457 /nfs/dbraw/zinc/89/24/57/962892457.db2.gz FOCPRJBUPXBJEH-FCEUIQTBSA-N 2 1 367.537 2.667 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087467602 965117801 /nfs/dbraw/zinc/11/78/01/965117801.db2.gz FUEZOXXBWSWRRP-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087467602 965117805 /nfs/dbraw/zinc/11/78/05/965117805.db2.gz FUEZOXXBWSWRRP-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087467602 965117813 /nfs/dbraw/zinc/11/78/13/965117813.db2.gz FUEZOXXBWSWRRP-DUXKGJEZSA-N 2 1 371.500 2.607 20 30 FFEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087212648 966576507 /nfs/dbraw/zinc/57/65/07/966576507.db2.gz KMEHVGCEAVWTDQ-OPYAIIAOSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2CC)CC1 ZINC001087839934 970519179 /nfs/dbraw/zinc/51/91/79/970519179.db2.gz AUACZLYRTWJCGN-LEWJYISDSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccsc3)[C@@H]2CC)CC1 ZINC001087840030 970522952 /nfs/dbraw/zinc/52/29/52/970522952.db2.gz DPPNBUSVIJOPRC-RBUKOAKNSA-N 2 1 359.539 2.562 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262375462 972549825 /nfs/dbraw/zinc/54/98/25/972549825.db2.gz GATPWYYZRDIRSH-WCIQWLHISA-N 2 1 370.541 2.630 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262375462 972549835 /nfs/dbraw/zinc/54/98/35/972549835.db2.gz GATPWYYZRDIRSH-WCIQWLHISA-N 2 1 370.541 2.630 20 30 FFEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106870 972828371 /nfs/dbraw/zinc/82/83/71/972828371.db2.gz VAIUPFYJIIVBRW-UWVAXJGDSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106870 972828376 /nfs/dbraw/zinc/82/83/76/972828376.db2.gz VAIUPFYJIIVBRW-UWVAXJGDSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106870 972828387 /nfs/dbraw/zinc/82/83/87/972828387.db2.gz VAIUPFYJIIVBRW-UWVAXJGDSA-N 2 1 351.510 2.555 20 30 FFEDMP C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H](C)COC ZINC000661242990 973974908 /nfs/dbraw/zinc/97/49/08/973974908.db2.gz HXKIDZBROXHZCI-FQEVSTJZSA-N 2 1 373.541 2.552 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000662087989 975169730 /nfs/dbraw/zinc/16/97/30/975169730.db2.gz RYEOKZHGQDKGOR-ZIBCJSCZSA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662087989 975169732 /nfs/dbraw/zinc/16/97/32/975169732.db2.gz RYEOKZHGQDKGOR-ZIBCJSCZSA-N 2 1 353.510 2.949 20 30 FFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662087989 975169734 /nfs/dbraw/zinc/16/97/34/975169734.db2.gz RYEOKZHGQDKGOR-ZIBCJSCZSA-N 2 1 353.510 2.949 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709264 1014358851 /nfs/dbraw/zinc/35/88/51/1014358851.db2.gz NKTPUZGCYXFLFW-FGZHOGPDSA-N 2 1 374.488 2.698 20 30 FFEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001087437424 977084078 /nfs/dbraw/zinc/08/40/78/977084078.db2.gz QYYOQUVXKJFUGV-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087437424 977084087 /nfs/dbraw/zinc/08/40/87/977084087.db2.gz QYYOQUVXKJFUGV-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001087437424 977084101 /nfs/dbraw/zinc/08/41/01/977084101.db2.gz QYYOQUVXKJFUGV-HMXCVIKNSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001087441134 977477544 /nfs/dbraw/zinc/47/75/44/977477544.db2.gz QBULOWGRKAXUSK-FGZHOGPDSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001087441134 977477550 /nfs/dbraw/zinc/47/75/50/977477550.db2.gz QBULOWGRKAXUSK-FGZHOGPDSA-N 2 1 367.537 2.714 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001087443969 977597484 /nfs/dbraw/zinc/59/74/84/977597484.db2.gz PQXMJFCDPIRSIY-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087443969 977597488 /nfs/dbraw/zinc/59/74/88/977597488.db2.gz PQXMJFCDPIRSIY-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087443969 977597494 /nfs/dbraw/zinc/59/74/94/977597494.db2.gz PQXMJFCDPIRSIY-VSKRKVRLSA-N 2 1 367.537 2.858 20 30 FFEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001088387513 979406762 /nfs/dbraw/zinc/40/67/62/979406762.db2.gz TZBNLSZBSAIEQT-HBMCJLEFSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCC4CCCC4)C[C@H]32)CC1 ZINC001076604720 979709443 /nfs/dbraw/zinc/70/94/43/979709443.db2.gz SQYAQBCBAWPVIZ-FCHUYYIVSA-N 2 1 371.569 2.835 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC#Cc2ccccc2)CC[N@H+]1C ZINC000968867555 1014604122 /nfs/dbraw/zinc/60/41/22/1014604122.db2.gz ZMNSVIFHZYEPTR-BAGYTPMASA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC000968867555 1014604129 /nfs/dbraw/zinc/60/41/29/1014604129.db2.gz ZMNSVIFHZYEPTR-BAGYTPMASA-N 2 1 367.537 2.739 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC#Cc2ccccc2)CC[NH+]1C ZINC000968867555 1014604136 /nfs/dbraw/zinc/60/41/36/1014604136.db2.gz ZMNSVIFHZYEPTR-BAGYTPMASA-N 2 1 367.537 2.739 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001088630939 982045867 /nfs/dbraw/zinc/04/58/67/982045867.db2.gz IRMOPDMFYUSASO-HJNYFJLDSA-N 2 1 367.537 2.788 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107643408 984926717 /nfs/dbraw/zinc/92/67/17/984926717.db2.gz IKGGVCDZSZBOKB-IEBWSBKVSA-N 2 1 353.938 2.976 20 30 FFEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646634 984937927 /nfs/dbraw/zinc/93/79/27/984937927.db2.gz NIJYUPVRHACJBC-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646634 984937931 /nfs/dbraw/zinc/93/79/31/984937931.db2.gz NIJYUPVRHACJBC-RZUBCFFCSA-N 2 1 353.510 2.673 20 30 FFEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997768716 985733796 /nfs/dbraw/zinc/73/37/96/985733796.db2.gz URFGSMYDXPVWKN-BWAGFHJFSA-N 2 1 367.537 2.572 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ccc3C)[C@@H]2C)CC1 ZINC001089059744 986141213 /nfs/dbraw/zinc/14/12/13/986141213.db2.gz YWRUAUQSPPGYMU-KNQAVFIVSA-N 2 1 367.537 2.728 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCc3ccccc3)[C@@H]2C)CC1 ZINC001089059997 986141571 /nfs/dbraw/zinc/14/15/71/986141571.db2.gz MQUGPKKRBYVEIH-KNQAVFIVSA-N 2 1 367.537 2.543 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497605 987782143 /nfs/dbraw/zinc/78/21/43/987782143.db2.gz QJPGIJRNEKGQQU-VAMGGRTRSA-N 2 1 367.578 2.893 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497605 987782150 /nfs/dbraw/zinc/78/21/50/987782150.db2.gz QJPGIJRNEKGQQU-VAMGGRTRSA-N 2 1 367.578 2.893 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001033839709 989754204 /nfs/dbraw/zinc/75/42/04/989754204.db2.gz UCVMJXCFRPSPRX-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001033839709 989754210 /nfs/dbraw/zinc/75/42/10/989754210.db2.gz UCVMJXCFRPSPRX-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001033839709 989754219 /nfs/dbraw/zinc/75/42/19/989754219.db2.gz UCVMJXCFRPSPRX-QHAWAJNXSA-N 2 1 368.525 2.711 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001034216986 989975430 /nfs/dbraw/zinc/97/54/30/989975430.db2.gz MWOAWOJWAWWTIU-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001034216986 989975438 /nfs/dbraw/zinc/97/54/38/989975438.db2.gz MWOAWOJWAWWTIU-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001034216986 989975447 /nfs/dbraw/zinc/97/54/47/989975447.db2.gz MWOAWOJWAWWTIU-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001034216986 989975457 /nfs/dbraw/zinc/97/54/57/989975457.db2.gz MWOAWOJWAWWTIU-BHIFYINESA-N 2 1 367.537 2.739 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1F ZINC001079287170 991973754 /nfs/dbraw/zinc/97/37/54/991973754.db2.gz QYPQKXWKEWWUBJ-CGTJXYLNSA-N 2 1 365.880 2.556 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1F ZINC001079287170 991973763 /nfs/dbraw/zinc/97/37/63/991973763.db2.gz QYPQKXWKEWWUBJ-CGTJXYLNSA-N 2 1 365.880 2.556 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)CC2(C)C)CC[N@H+]1C ZINC000940757130 992147607 /nfs/dbraw/zinc/14/76/07/992147607.db2.gz SKQYMFZZRAYZIT-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000940757130 992147612 /nfs/dbraw/zinc/14/76/12/992147612.db2.gz SKQYMFZZRAYZIT-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)CC[NH+]1C ZINC000940757130 992147618 /nfs/dbraw/zinc/14/76/18/992147618.db2.gz SKQYMFZZRAYZIT-NSISKUIASA-N 2 1 368.525 2.615 20 30 FFEDMP C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000995268174 992750770 /nfs/dbraw/zinc/75/07/70/992750770.db2.gz RQWLVZPZNYHELL-PCCBWWKXSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000995268174 992750776 /nfs/dbraw/zinc/75/07/76/992750776.db2.gz RQWLVZPZNYHELL-PCCBWWKXSA-N 2 1 370.541 2.648 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000995268174 992750780 /nfs/dbraw/zinc/75/07/80/992750780.db2.gz RQWLVZPZNYHELL-PCCBWWKXSA-N 2 1 370.541 2.648 20 30 FFEDMP C(#CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)C[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000671243206 993226871 /nfs/dbraw/zinc/22/68/71/993226871.db2.gz UEZAOSOJKOUTHN-PSWAGMNNSA-N 2 1 374.532 2.909 20 30 FFEDMP C(#CC[N@@H+]1CC[C@H](Cc2ccncc2)C1)C[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000671243206 993226877 /nfs/dbraw/zinc/22/68/77/993226877.db2.gz UEZAOSOJKOUTHN-PSWAGMNNSA-N 2 1 374.532 2.909 20 30 FFEDMP C(#CC[N@H+]1CC[C@H](Cc2ccncc2)C1)C[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000671243206 993226885 /nfs/dbraw/zinc/22/68/85/993226885.db2.gz UEZAOSOJKOUTHN-PSWAGMNNSA-N 2 1 374.532 2.909 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086695193 995154384 /nfs/dbraw/zinc/15/43/84/995154384.db2.gz GMGXKNUEECCQDT-PWRODBHTSA-N 2 1 368.525 2.806 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086695439 995154465 /nfs/dbraw/zinc/15/44/65/995154465.db2.gz QVALOBJBYZDKQH-IOMROCGXSA-N 2 1 368.525 2.806 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001084418010 996518051 /nfs/dbraw/zinc/51/80/51/996518051.db2.gz QIELDZOMOCNAIM-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC3CCCC3)C[C@H]21 ZINC001084418010 996518059 /nfs/dbraw/zinc/51/80/59/996518059.db2.gz QIELDZOMOCNAIM-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC3CCCC3)C[C@H]21 ZINC001084418010 996518063 /nfs/dbraw/zinc/51/80/63/996518063.db2.gz QIELDZOMOCNAIM-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001084418010 996518069 /nfs/dbraw/zinc/51/80/69/996518069.db2.gz QIELDZOMOCNAIM-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001084418010 996518074 /nfs/dbraw/zinc/51/80/74/996518074.db2.gz QIELDZOMOCNAIM-QHAWAJNXSA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000730105684 996855275 /nfs/dbraw/zinc/85/52/75/996855275.db2.gz LZCLFLHAZJRGFX-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000730105684 996855289 /nfs/dbraw/zinc/85/52/89/996855289.db2.gz LZCLFLHAZJRGFX-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000730105684 996855301 /nfs/dbraw/zinc/85/53/01/996855301.db2.gz LZCLFLHAZJRGFX-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000730105684 996855314 /nfs/dbraw/zinc/85/53/14/996855314.db2.gz LZCLFLHAZJRGFX-JQVVWYNYSA-N 2 1 367.537 2.878 20 30 FFEDMP CC(C)C[N@H+](C)CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000844271413 997754701 /nfs/dbraw/zinc/75/47/01/997754701.db2.gz YPXCPWXNHZXMBY-UHFFFAOYSA-N 2 1 369.513 2.624 20 30 FFEDMP CC(C)C[N@@H+](C)CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000844271413 997754718 /nfs/dbraw/zinc/75/47/18/997754718.db2.gz YPXCPWXNHZXMBY-UHFFFAOYSA-N 2 1 369.513 2.624 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC3CCC3)[C@H]2C1 ZINC001084961192 998387311 /nfs/dbraw/zinc/38/73/11/998387311.db2.gz QVBGDSVHFKCEAN-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC3CCC3)[C@H]2C1 ZINC001084961192 998387320 /nfs/dbraw/zinc/38/73/20/998387320.db2.gz QVBGDSVHFKCEAN-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCC3CCC3)[C@H]2C1 ZINC001084961192 998387332 /nfs/dbraw/zinc/38/73/32/998387332.db2.gz QVBGDSVHFKCEAN-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCC3)[C@H]2C1 ZINC001084961192 998387343 /nfs/dbraw/zinc/38/73/43/998387343.db2.gz QVBGDSVHFKCEAN-HKBOAZHASA-N 2 1 357.542 2.587 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072221 998852039 /nfs/dbraw/zinc/85/20/39/998852039.db2.gz OHLHTOMTVMJICU-MJGOQNOKSA-N 2 1 365.949 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072221 998852040 /nfs/dbraw/zinc/85/20/40/998852040.db2.gz OHLHTOMTVMJICU-MJGOQNOKSA-N 2 1 365.949 2.784 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001085309166 999337825 /nfs/dbraw/zinc/33/78/25/999337825.db2.gz AYZOCDYSUJFLOB-ZCLUNYJNSA-N 2 1 368.525 2.806 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC(C)CC2)CC1 ZINC001096608368 1016346209 /nfs/dbraw/zinc/34/62/09/1016346209.db2.gz VVYLKCOXEQMSFV-DTMMYKOVSA-N 2 1 371.569 2.879 20 30 FFEDMP C=CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000745827837 999934343 /nfs/dbraw/zinc/93/43/43/999934343.db2.gz OCTMJDVGXGACDF-UXHICEINSA-N 2 1 373.545 2.756 20 30 FFEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001109466274 1000514643 /nfs/dbraw/zinc/51/46/43/1000514643.db2.gz SRUJQWFCECIBRR-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001109466274 1000514648 /nfs/dbraw/zinc/51/46/48/1000514648.db2.gz SRUJQWFCECIBRR-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001109466274 1000514652 /nfs/dbraw/zinc/51/46/52/1000514652.db2.gz SRUJQWFCECIBRR-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109466274 1000514656 /nfs/dbraw/zinc/51/46/56/1000514656.db2.gz SRUJQWFCECIBRR-QYZOEREBSA-N 2 1 354.498 2.510 20 30 FFEDMP C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847030874 1000524534 /nfs/dbraw/zinc/52/45/34/1000524534.db2.gz OMJUSKGLZDPTIL-RBUKOAKNSA-N 2 1 353.510 2.501 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001109714647 1000897259 /nfs/dbraw/zinc/89/72/59/1000897259.db2.gz RLDYGWYKYIBAPB-MBDNFAEBSA-N 2 1 367.537 2.880 20 30 FFEDMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+](CC)CC ZINC001109714647 1000897262 /nfs/dbraw/zinc/89/72/62/1000897262.db2.gz RLDYGWYKYIBAPB-MBDNFAEBSA-N 2 1 367.537 2.880 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001110005918 1001278726 /nfs/dbraw/zinc/27/87/26/1001278726.db2.gz KVEWJJUWUOYCTP-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001110005918 1001278729 /nfs/dbraw/zinc/27/87/29/1001278729.db2.gz KVEWJJUWUOYCTP-JLSDUUJJSA-N 2 1 360.527 2.573 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071151 1002367029 /nfs/dbraw/zinc/36/70/29/1002367029.db2.gz IPKINNCJNLILMP-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071151 1002367038 /nfs/dbraw/zinc/36/70/38/1002367038.db2.gz IPKINNCJNLILMP-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071151 1002367050 /nfs/dbraw/zinc/36/70/50/1002367050.db2.gz IPKINNCJNLILMP-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071151 1002367063 /nfs/dbraw/zinc/36/70/63/1002367063.db2.gz IPKINNCJNLILMP-LMMKCTJWSA-N 2 1 353.938 2.782 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001086588441 1002419900 /nfs/dbraw/zinc/41/99/00/1002419900.db2.gz VSKUHEOIVSCNRN-LEWJYISDSA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001086588441 1002419908 /nfs/dbraw/zinc/41/99/08/1002419908.db2.gz VSKUHEOIVSCNRN-LEWJYISDSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086592501 1002537874 /nfs/dbraw/zinc/53/78/74/1002537874.db2.gz QOVKFRZFDIAFDX-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001086592501 1002537885 /nfs/dbraw/zinc/53/78/85/1002537885.db2.gz QOVKFRZFDIAFDX-BHIFYINESA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596749 1002629820 /nfs/dbraw/zinc/62/98/20/1002629820.db2.gz QTYLFFMLCYTVKM-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001086596749 1002629828 /nfs/dbraw/zinc/62/98/28/1002629828.db2.gz QTYLFFMLCYTVKM-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596749 1002629834 /nfs/dbraw/zinc/62/98/34/1002629834.db2.gz QTYLFFMLCYTVKM-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086596749 1002629840 /nfs/dbraw/zinc/62/98/40/1002629840.db2.gz QTYLFFMLCYTVKM-BHDDXSALSA-N 2 1 367.537 2.714 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001186189780 1003213687 /nfs/dbraw/zinc/21/36/87/1003213687.db2.gz SPLXGKHBDSHVFV-UYAOXDASSA-N 2 1 370.472 2.739 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001186189780 1003213692 /nfs/dbraw/zinc/21/36/92/1003213692.db2.gz SPLXGKHBDSHVFV-UYAOXDASSA-N 2 1 370.472 2.739 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001186203213 1003223025 /nfs/dbraw/zinc/22/30/25/1003223025.db2.gz HAUWCXIPYMGIMR-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001186203213 1003223036 /nfs/dbraw/zinc/22/30/36/1003223036.db2.gz HAUWCXIPYMGIMR-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001186203213 1003223047 /nfs/dbraw/zinc/22/30/47/1003223047.db2.gz HAUWCXIPYMGIMR-UYAOXDASSA-N 2 1 361.505 2.875 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613245 1003363143 /nfs/dbraw/zinc/36/31/43/1003363143.db2.gz JWWBHGBEMAKCKP-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613245 1003363152 /nfs/dbraw/zinc/36/31/52/1003363152.db2.gz JWWBHGBEMAKCKP-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086613245 1003363161 /nfs/dbraw/zinc/36/31/61/1003363161.db2.gz JWWBHGBEMAKCKP-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086613245 1003363170 /nfs/dbraw/zinc/36/31/70/1003363170.db2.gz JWWBHGBEMAKCKP-BHDDXSALSA-N 2 1 367.537 2.857 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624274 1003732009 /nfs/dbraw/zinc/73/20/09/1003732009.db2.gz WNTJKOZFAMZWJM-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624274 1003732016 /nfs/dbraw/zinc/73/20/16/1003732016.db2.gz WNTJKOZFAMZWJM-VQTJNVASSA-N 2 1 352.482 2.742 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197929631 1004413006 /nfs/dbraw/zinc/41/30/06/1004413006.db2.gz JFFPUDPQHOTSBI-MRXNPFEDSA-N 2 1 352.438 2.551 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001197929631 1004413011 /nfs/dbraw/zinc/41/30/11/1004413011.db2.gz JFFPUDPQHOTSBI-MRXNPFEDSA-N 2 1 352.438 2.551 20 30 FFEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198742344 1004720138 /nfs/dbraw/zinc/72/01/38/1004720138.db2.gz OYIUXJAPLXZTPV-IPMKNSEASA-N 2 1 359.514 2.749 20 30 FFEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001489238948 1005447446 /nfs/dbraw/zinc/44/74/46/1005447446.db2.gz QNULLVZVJATVBK-BDTNDASRSA-N 2 1 367.537 2.716 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001050328184 1016971332 /nfs/dbraw/zinc/97/13/32/1016971332.db2.gz IAESUOOBPFQUHO-DEPWHIHDSA-N 2 1 368.525 2.663 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001097975849 1017027996 /nfs/dbraw/zinc/02/79/96/1017027996.db2.gz HBOBIIPHWWPWPJ-NJYVYQBISA-N 2 1 366.509 2.512 20 30 FFEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001097975849 1017028007 /nfs/dbraw/zinc/02/80/07/1017028007.db2.gz HBOBIIPHWWPWPJ-NJYVYQBISA-N 2 1 366.509 2.512 20 30 FFEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852857664 1006210321 /nfs/dbraw/zinc/21/03/21/1006210321.db2.gz AQMVBOLVVVMRAC-SFHVURJKSA-N 2 1 353.510 2.680 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001190317215 1007566074 /nfs/dbraw/zinc/56/60/74/1007566074.db2.gz FMQKCJGMOWIPGL-GELBITPBSA-N 2 1 357.542 2.611 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)CC(C)C)C[C@H]32)CC1 ZINC001190317541 1007566323 /nfs/dbraw/zinc/56/63/23/1007566323.db2.gz GUKVCMMRPHDTFV-SESVDKBCSA-N 2 1 359.558 2.547 20 30 FFEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000820489477 1008340842 /nfs/dbraw/zinc/34/08/42/1008340842.db2.gz FXEIPWSDZJGQFU-UXHICEINSA-N 2 1 374.504 2.558 20 30 FFEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001177348833 1008588282 /nfs/dbraw/zinc/58/82/82/1008588282.db2.gz NCKVRFLWWCKZCO-UYAOXDASSA-N 2 1 365.562 2.670 20 30 FFEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001177348833 1008588292 /nfs/dbraw/zinc/58/82/92/1008588292.db2.gz NCKVRFLWWCKZCO-UYAOXDASSA-N 2 1 365.562 2.670 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001178518164 1009014786 /nfs/dbraw/zinc/01/47/86/1009014786.db2.gz IGFUUGACYAZKHJ-YLJYHZDGSA-N 2 1 356.514 2.665 20 30 FFEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154990 1009927864 /nfs/dbraw/zinc/92/78/64/1009927864.db2.gz XWXSHQLEMSDTRT-MRXNPFEDSA-N 2 1 358.442 2.861 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccn2)cc1 ZINC000104163040 1009930624 /nfs/dbraw/zinc/93/06/24/1009930624.db2.gz CEEWQOWVGCYPTO-LJQANCHMSA-N 2 1 367.497 2.549 20 30 FFEDMP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369528 1010233493 /nfs/dbraw/zinc/23/34/93/1010233493.db2.gz BOUVNDLCKKSZPC-MISYRCLQSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369528 1010233499 /nfs/dbraw/zinc/23/34/99/1010233499.db2.gz BOUVNDLCKKSZPC-MISYRCLQSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093369528 1010233508 /nfs/dbraw/zinc/23/35/08/1010233508.db2.gz BOUVNDLCKKSZPC-MISYRCLQSA-N 2 1 359.558 2.996 20 30 FFEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095405940 1010454895 /nfs/dbraw/zinc/45/48/95/1010454895.db2.gz FXOMUOSRDILKTC-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1 ZINC001095405940 1010454898 /nfs/dbraw/zinc/45/48/98/1010454898.db2.gz FXOMUOSRDILKTC-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095405940 1010454904 /nfs/dbraw/zinc/45/49/04/1010454904.db2.gz FXOMUOSRDILKTC-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001095405940 1010454910 /nfs/dbraw/zinc/45/49/10/1010454910.db2.gz FXOMUOSRDILKTC-IVAOSVALSA-N 2 1 366.509 2.653 20 30 FFEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171498995 1011345111 /nfs/dbraw/zinc/34/51/11/1011345111.db2.gz DUGXTYXQUZKIBF-IPMKNSEASA-N 2 1 353.551 2.717 20 30 FFEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171498995 1011345118 /nfs/dbraw/zinc/34/51/18/1011345118.db2.gz DUGXTYXQUZKIBF-IPMKNSEASA-N 2 1 353.551 2.717 20 30 FFEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCCC2(C[NH+](Cc3scnc3C)C2)C1 ZINC001274433514 1011442116 /nfs/dbraw/zinc/44/21/16/1011442116.db2.gz SVLCWCBGJBNSAY-UHFFFAOYSA-N 2 1 374.554 2.528 20 30 FFEDMP CCN1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172038989 1011601160 /nfs/dbraw/zinc/60/11/60/1011601160.db2.gz OHBQJEYQMRAKGG-VAMGGRTRSA-N 2 1 354.498 2.641 20 30 FFEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000303871412 1012476563 /nfs/dbraw/zinc/47/65/63/1012476563.db2.gz BQIMHEBLPCOUHM-KURKYZTESA-N 2 1 358.530 2.842 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000303895477 1012503428 /nfs/dbraw/zinc/50/34/28/1012503428.db2.gz TWECDWMODSZEBL-IBGZPJMESA-N 2 1 371.529 2.704 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000303896386 1012505794 /nfs/dbraw/zinc/50/57/94/1012505794.db2.gz PZFYNQVXOQWRNZ-WIYYLYMNSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000303896386 1012505803 /nfs/dbraw/zinc/50/58/03/1012505803.db2.gz PZFYNQVXOQWRNZ-WIYYLYMNSA-N 3 1 371.573 2.807 20 30 FFEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000303896386 1012505820 /nfs/dbraw/zinc/50/58/20/1012505820.db2.gz PZFYNQVXOQWRNZ-WIYYLYMNSA-N 3 1 371.573 2.807 20 30 FFEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1=O ZINC001275540068 1012596694 /nfs/dbraw/zinc/59/66/94/1012596694.db2.gz CVIPVOBFXIGCFQ-NRFANRHFSA-N 2 1 350.466 2.873 20 30 FFEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001097858893 1018038861 /nfs/dbraw/zinc/03/88/61/1018038861.db2.gz AWYUUYZKOROTPO-SUMDDJOVSA-N 2 1 358.486 2.572 20 30 FFEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001097858893 1018038874 /nfs/dbraw/zinc/03/88/74/1018038874.db2.gz AWYUUYZKOROTPO-SUMDDJOVSA-N 2 1 358.486 2.572 20 30 FFEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023515 1020692170 /nfs/dbraw/zinc/69/21/70/1020692170.db2.gz NWLCDVARGZFOJE-SUMDDJOVSA-N 2 1 358.486 2.572 20 30 FFEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001111023515 1020692175 /nfs/dbraw/zinc/69/21/75/1020692175.db2.gz NWLCDVARGZFOJE-SUMDDJOVSA-N 2 1 358.486 2.572 20 30 FFEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049074872 1020720479 /nfs/dbraw/zinc/72/04/79/1020720479.db2.gz CXXHGFYJFVWUMT-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049074872 1020720499 /nfs/dbraw/zinc/72/04/99/1020720499.db2.gz CXXHGFYJFVWUMT-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001049074872 1020720516 /nfs/dbraw/zinc/72/05/16/1020720516.db2.gz CXXHGFYJFVWUMT-MBDNFAEBSA-N 2 1 367.537 2.688 20 30 FFEDMP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459024 1021085029 /nfs/dbraw/zinc/08/50/29/1021085029.db2.gz ODPIONYEPLRFBE-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459024 1021085033 /nfs/dbraw/zinc/08/50/33/1021085033.db2.gz ODPIONYEPLRFBE-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001099029455 1021628824 /nfs/dbraw/zinc/62/88/24/1021628824.db2.gz CJGAFHNITLSADW-UNMCSNQZSA-N 2 1 355.526 2.951 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099274569 1022206299 /nfs/dbraw/zinc/20/62/99/1022206299.db2.gz HRIMAOCDUJZDED-BZUAXINKSA-N 2 1 361.452 2.662 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001122631531 1023379586 /nfs/dbraw/zinc/37/95/86/1023379586.db2.gz UQAIOFFTZCLNHJ-BZSNNMDCSA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001122631531 1023379594 /nfs/dbraw/zinc/37/95/94/1023379594.db2.gz UQAIOFFTZCLNHJ-BZSNNMDCSA-N 2 1 360.550 2.582 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001122631531 1023379599 /nfs/dbraw/zinc/37/95/99/1023379599.db2.gz UQAIOFFTZCLNHJ-BZSNNMDCSA-N 2 1 360.550 2.582 20 30 FFEDMP CC(=O)c1ccc(C#N)cc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000754030650 1023416708 /nfs/dbraw/zinc/41/67/08/1023416708.db2.gz CNACRHHYYRCYIO-UHFFFAOYSA-N 2 1 363.465 2.780 20 30 FFEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC001121811382 1024056494 /nfs/dbraw/zinc/05/64/94/1024056494.db2.gz NDLHOZQKTQIHGP-QBEJFWGUSA-N 2 1 367.537 2.925 20 30 FFEDMP COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1C#N ZINC000192355775 1024091304 /nfs/dbraw/zinc/09/13/04/1024091304.db2.gz XJZWWPJFEBICEL-OAQYLSRUSA-N 2 1 365.477 2.948 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366806 1024555916 /nfs/dbraw/zinc/55/59/16/1024555916.db2.gz NXQQWDMRFIZSST-GGAORHGYSA-N 2 1 369.553 2.907 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366806 1024555926 /nfs/dbraw/zinc/55/59/26/1024555926.db2.gz NXQQWDMRFIZSST-GGAORHGYSA-N 2 1 369.553 2.907 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCc3ccccc3)C[C@]2(C)C1 ZINC001101366806 1024555932 /nfs/dbraw/zinc/55/59/32/1024555932.db2.gz NXQQWDMRFIZSST-GGAORHGYSA-N 2 1 369.553 2.907 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001101439843 1024747251 /nfs/dbraw/zinc/74/72/51/1024747251.db2.gz BQKTXCQNQSEBQP-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001101439843 1024747265 /nfs/dbraw/zinc/74/72/65/1024747265.db2.gz BQKTXCQNQSEBQP-IRLDBZIGSA-N 2 1 368.525 2.570 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464708 1024808445 /nfs/dbraw/zinc/80/84/45/1024808445.db2.gz VNCZXRAKQSPVLE-MJGOQNOKSA-N 2 1 353.938 2.785 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464708 1024808463 /nfs/dbraw/zinc/80/84/63/1024808463.db2.gz VNCZXRAKQSPVLE-MJGOQNOKSA-N 2 1 353.938 2.785 20 30 FFEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000086034215 1025244140 /nfs/dbraw/zinc/24/41/40/1025244140.db2.gz PUMVMINKLOFRCQ-PKOBYXMFSA-N 2 1 351.498 2.891 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001102596567 1026390067 /nfs/dbraw/zinc/39/00/67/1026390067.db2.gz MPMCZLFEOARDAI-TZIWHRDSSA-N 2 1 359.558 2.762 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596695 1026390145 /nfs/dbraw/zinc/39/01/45/1026390145.db2.gz UGUZGFZLJXCIKP-WIYYLYMNSA-N 2 1 368.525 2.618 20 30 FFEDMP C=CCN1CCN(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000840071565 1026943299 /nfs/dbraw/zinc/94/32/99/1026943299.db2.gz ATYZVEVKYNZOHC-UHFFFAOYSA-N 2 1 368.525 2.856 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090179 1026952865 /nfs/dbraw/zinc/95/28/65/1026952865.db2.gz NPEDFAJQBAXSBE-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090179 1026952873 /nfs/dbraw/zinc/95/28/73/1026952873.db2.gz NPEDFAJQBAXSBE-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090179 1026952877 /nfs/dbraw/zinc/95/28/77/1026952877.db2.gz NPEDFAJQBAXSBE-YLJYHZDGSA-N 2 1 368.525 2.617 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360594 1027307995 /nfs/dbraw/zinc/30/79/95/1027307995.db2.gz LNYYRWMVGKEIJY-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360594 1027308011 /nfs/dbraw/zinc/30/80/11/1027308011.db2.gz LNYYRWMVGKEIJY-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360594 1027308031 /nfs/dbraw/zinc/30/80/31/1027308031.db2.gz LNYYRWMVGKEIJY-SBHAEUEKSA-N 2 1 359.558 2.881 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147650 1027618985 /nfs/dbraw/zinc/61/89/85/1027618985.db2.gz RBDLSEZOGFVBQU-OAQYLSRUSA-N 2 1 355.526 2.691 20 30 FFEDMP C#CCCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147650 1027618992 /nfs/dbraw/zinc/61/89/92/1027618992.db2.gz RBDLSEZOGFVBQU-OAQYLSRUSA-N 2 1 355.526 2.691 20 30 FFEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001103634566 1027837400 /nfs/dbraw/zinc/83/74/00/1027837400.db2.gz XWRBNZASWDUZSM-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634566 1027837436 /nfs/dbraw/zinc/83/74/36/1027837436.db2.gz XWRBNZASWDUZSM-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103634566 1027837457 /nfs/dbraw/zinc/83/74/57/1027837457.db2.gz XWRBNZASWDUZSM-NRSPTQNISA-N 2 1 355.526 2.777 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC#Cc2ccccc2)CC[N@H+]1C ZINC001153501339 1027908242 /nfs/dbraw/zinc/90/82/42/1027908242.db2.gz LDAOWMHYIQTIGO-HLAWJBBLSA-N 2 1 355.526 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#Cc2ccccc2)CC[NH+]1C ZINC001153501339 1027908261 /nfs/dbraw/zinc/90/82/61/1027908261.db2.gz LDAOWMHYIQTIGO-HLAWJBBLSA-N 2 1 355.526 2.595 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#Cc2ccccc2)CC[NH+]1C ZINC001153501339 1027908275 /nfs/dbraw/zinc/90/82/75/1027908275.db2.gz LDAOWMHYIQTIGO-HLAWJBBLSA-N 2 1 355.526 2.595 20 30 FFEDMP N#Cc1ccc(C2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC2)cc1 ZINC001156766413 1029338410 /nfs/dbraw/zinc/33/84/10/1029338410.db2.gz XULVAVZVTDKNAQ-UHFFFAOYSA-N 2 1 362.481 2.660 20 30 FFEDMP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000796763938 1030911346 /nfs/dbraw/zinc/91/13/46/1030911346.db2.gz RYYPTXYPRQUVLR-QFIPXVFZSA-N 2 1 368.525 2.760 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC#Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001115543572 1031819639 /nfs/dbraw/zinc/81/96/39/1031819639.db2.gz QEHWESYKVKELFX-TZIWHRDSSA-N 2 1 367.537 2.787 20 30 FFEDMP C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205691784 1031937679 /nfs/dbraw/zinc/93/76/79/1031937679.db2.gz CSEHSFQVSVIWOA-FUHWJXTLSA-N 2 1 367.896 2.802 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205691784 1031937705 /nfs/dbraw/zinc/93/77/05/1031937705.db2.gz CSEHSFQVSVIWOA-FUHWJXTLSA-N 2 1 367.896 2.802 20 30 FFEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCCC1 ZINC001115742339 1031965040 /nfs/dbraw/zinc/96/50/40/1031965040.db2.gz YSCWUTZROMYYIQ-RTWAWAEBSA-N 2 1 367.537 2.764 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001223505732 1033475270 /nfs/dbraw/zinc/47/52/70/1033475270.db2.gz QCRRQKQMDIIOGT-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001223505732 1033475276 /nfs/dbraw/zinc/47/52/76/1033475276.db2.gz QCRRQKQMDIIOGT-HBFSDRIKSA-N 2 1 356.514 2.643 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001220600767 1034283192 /nfs/dbraw/zinc/28/31/92/1034283192.db2.gz ULBRAMBYGSBEGB-ZWKOTPCHSA-N 2 1 350.551 2.857 20 30 FFEDMP CC(C)C[C@@H](C#N)NC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220702766 1034344001 /nfs/dbraw/zinc/34/40/01/1034344001.db2.gz FREULZVKVOJHDH-RZUBCFFCSA-N 2 1 368.525 2.543 20 30 FFEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220868499 1034438418 /nfs/dbraw/zinc/43/84/18/1034438418.db2.gz LCJLBLMPADYWFP-JKSUJKDBSA-N 2 1 355.404 2.862 20 30 FFEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)C1=O ZINC001138770869 1034637391 /nfs/dbraw/zinc/63/73/91/1034637391.db2.gz VIMOTBRBNKRCKG-QFIPXVFZSA-N 2 1 371.525 2.628 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001226890212 1034874578 /nfs/dbraw/zinc/87/45/78/1034874578.db2.gz KYQKAEQXNWFSFC-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227217371 1034973503 /nfs/dbraw/zinc/97/35/03/1034973503.db2.gz NTAUBURHBWGZLD-RTBURBONSA-N 2 1 365.562 2.859 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001221682657 1034980523 /nfs/dbraw/zinc/98/05/23/1034980523.db2.gz GMHYGKDFIXLGDS-MBOZVWFJSA-N 2 1 365.481 2.768 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001229503027 1036708344 /nfs/dbraw/zinc/70/83/44/1036708344.db2.gz CMLHDMLSMHFBTJ-WOJBJXKFSA-N 2 1 359.489 2.536 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208629742 1038458615 /nfs/dbraw/zinc/45/86/15/1038458615.db2.gz WCSSDSDHWLDMRN-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208629742 1038458616 /nfs/dbraw/zinc/45/86/16/1038458616.db2.gz WCSSDSDHWLDMRN-YVWKXTFCSA-N 2 1 358.530 2.937 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@H+](C2CCN(CCCc3ccc(C#N)cc3)CC2)C1 ZINC001208863684 1038562527 /nfs/dbraw/zinc/56/25/27/1038562527.db2.gz BKTFZHUOXVCZTA-HXUWFJFHSA-N 2 1 369.509 2.840 20 30 FFEDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccc(C#N)cc3)CC2)C1 ZINC001208863684 1038562530 /nfs/dbraw/zinc/56/25/30/1038562530.db2.gz BKTFZHUOXVCZTA-HXUWFJFHSA-N 2 1 369.509 2.840 20 30 FFEDMP N#Cc1cccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)n1 ZINC001278949416 1038574488 /nfs/dbraw/zinc/57/44/88/1038574488.db2.gz QXUXZSSJBUIKQM-UHFFFAOYSA-N 2 1 350.470 2.555 20 30 FFEDMP C#CCOC[C@H](O)C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001251842789 1039320491 /nfs/dbraw/zinc/32/04/91/1039320491.db2.gz FEBOHYYWGVQXGB-JOCHJYFZSA-N 2 1 370.537 2.684 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442767 1040555951 /nfs/dbraw/zinc/55/59/51/1040555951.db2.gz WIKPHBZFWYCUFI-QZTJIDSGSA-N 2 1 353.551 2.504 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664767 1040864894 /nfs/dbraw/zinc/86/48/94/1040864894.db2.gz JNWKZFCBPUSQCZ-XKRYSZRTSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001254664767 1040864899 /nfs/dbraw/zinc/86/48/99/1040864899.db2.gz JNWKZFCBPUSQCZ-XKRYSZRTSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001254664767 1040864909 /nfs/dbraw/zinc/86/49/09/1040864909.db2.gz JNWKZFCBPUSQCZ-XKRYSZRTSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001254664767 1040864914 /nfs/dbraw/zinc/86/49/14/1040864914.db2.gz JNWKZFCBPUSQCZ-XKRYSZRTSA-N 2 1 353.514 2.750 20 30 FFEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001254665765 1040866124 /nfs/dbraw/zinc/86/61/24/1040866124.db2.gz PWAFNVYBFWAKNW-UXHICEINSA-N 2 1 354.498 2.688 20 30 FFEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001215036018 1041651768 /nfs/dbraw/zinc/65/17/68/1041651768.db2.gz LWMRYDFHLRCBMD-CEMLEFRQSA-N 2 1 367.537 2.595 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544270 1041822197 /nfs/dbraw/zinc/82/21/97/1041822197.db2.gz MXXQOUIVDJBFPL-IMFGXOCKSA-N 2 1 358.530 2.937 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C)[NH+](CC)CC ZINC001264160123 1042644220 /nfs/dbraw/zinc/64/42/20/1042644220.db2.gz FOIBRXIHIRRXTJ-UXPWSPDFSA-N 2 1 356.514 2.758 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001264492691 1042696923 /nfs/dbraw/zinc/69/69/23/1042696923.db2.gz ZUDWSQZFWWJHTB-BHDDXSALSA-N 2 1 367.537 2.787 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001265670907 1042871363 /nfs/dbraw/zinc/87/13/63/1042871363.db2.gz XIAZOKAIQWZFKQ-FDFHNCONSA-N 2 1 367.537 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290257 1044301540 /nfs/dbraw/zinc/30/15/40/1044301540.db2.gz AZGBTDBUUHNGMN-RTWAWAEBSA-N 2 1 370.541 2.856 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)C1 ZINC001313290257 1044301548 /nfs/dbraw/zinc/30/15/48/1044301548.db2.gz AZGBTDBUUHNGMN-RTWAWAEBSA-N 2 1 370.541 2.856 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001280364737 1044641713 /nfs/dbraw/zinc/64/17/13/1044641713.db2.gz BNYIPRJVWLAFEA-ZHHKINOHSA-N 2 1 367.537 2.643 20 30 FFEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001316756739 1044911242 /nfs/dbraw/zinc/91/12/42/1044911242.db2.gz IQYOQSOCYDZMBU-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001316756739 1044911251 /nfs/dbraw/zinc/91/12/51/1044911251.db2.gz IQYOQSOCYDZMBU-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=CCn1c(CN2CCCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001340589662 1050974487 /nfs/dbraw/zinc/97/44/87/1050974487.db2.gz ZNQMQHBUFXRTLD-IEBWSBKVSA-N 2 1 370.545 2.513 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[NH+](C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001343825093 1052439306 /nfs/dbraw/zinc/43/93/06/1052439306.db2.gz XCQYUMUTVIENOP-GOSISDBHSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001343825093 1052439308 /nfs/dbraw/zinc/43/93/08/1052439308.db2.gz XCQYUMUTVIENOP-GOSISDBHSA-N 2 1 360.550 2.584 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001343825093 1052439312 /nfs/dbraw/zinc/43/93/12/1052439312.db2.gz XCQYUMUTVIENOP-GOSISDBHSA-N 2 1 360.550 2.584 20 30 FFEDMP C=CC[C@]1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCC[NH2+]1 ZINC001349893759 1055526067 /nfs/dbraw/zinc/52/60/67/1055526067.db2.gz NRFVYMRDLPRXLU-PZJWPPBQSA-N 2 1 354.498 2.608 20 30 FFEDMP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1C#N ZINC001353003470 1056007267 /nfs/dbraw/zinc/00/72/67/1056007267.db2.gz OCPAUGYBNNETDT-UHFFFAOYSA-N 2 1 368.456 2.748 20 30 FFEDMP C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001515295955 1059510757 /nfs/dbraw/zinc/51/07/57/1059510757.db2.gz LXUUMDSESJZTDP-SQNIBIBYSA-N 2 1 360.550 2.787 20 30 FFEDMP C=C(C)Cn1c(CN2CCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001355967629 1060769365 /nfs/dbraw/zinc/76/93/65/1060769365.db2.gz LPRTUWZOXYKDKH-GOSISDBHSA-N 2 1 360.550 2.618 20 30 FFEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001479581402 1062581042 /nfs/dbraw/zinc/58/10/42/1062581042.db2.gz WHPQUIOPNROMNE-XLIONFOSSA-N 2 1 356.514 2.617 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC001464390934 1062586909 /nfs/dbraw/zinc/58/69/09/1062586909.db2.gz YLGHCTJVBFUTMF-SFHVURJKSA-N 2 1 363.465 2.544 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1CC ZINC001479644779 1062706876 /nfs/dbraw/zinc/70/68/76/1062706876.db2.gz CJDIFUVWMFLJCX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1CC ZINC001479644779 1062706894 /nfs/dbraw/zinc/70/68/94/1062706894.db2.gz CJDIFUVWMFLJCX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001479644779 1062706904 /nfs/dbraw/zinc/70/69/04/1062706904.db2.gz CJDIFUVWMFLJCX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1CC ZINC001479644779 1062706924 /nfs/dbraw/zinc/70/69/24/1062706924.db2.gz CJDIFUVWMFLJCX-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1Cl ZINC001494980809 1063419191 /nfs/dbraw/zinc/41/91/91/1063419191.db2.gz HWAAGDUGWQSNJE-BPQIPLTHSA-N 2 1 361.917 2.516 20 30 FFEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001495430557 1063495172 /nfs/dbraw/zinc/49/51/72/1063495172.db2.gz SPZLCYOBJYLBAC-YADHBBJMSA-N 2 1 367.537 2.573 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CCOc2ccccc21)C(C)C ZINC001574927856 1078093812 /nfs/dbraw/zinc/09/38/12/1078093812.db2.gz WQPCTCWWJPGWKO-UYAOXDASSA-N 2 1 357.498 2.525 20 30 FFEDMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001473703959 1065323705 /nfs/dbraw/zinc/32/37/05/1065323705.db2.gz FOZNBZZJEXSAOC-UHFFFAOYSA-N 2 1 360.889 2.958 20 30 FFEDMP N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035942 1078735098 /nfs/dbraw/zinc/73/50/98/1078735098.db2.gz JQYDFDWVCUPCIV-WOJBJXKFSA-N 2 1 350.466 2.961 20 30 FFEDMP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580035942 1078735101 /nfs/dbraw/zinc/73/51/01/1078735101.db2.gz JQYDFDWVCUPCIV-WOJBJXKFSA-N 2 1 350.466 2.961 20 30 FFEDMP N#Cc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000173533547 251201014 /nfs/dbraw/zinc/20/10/14/251201014.db2.gz OBMDLTKFTJZLQB-UHFFFAOYSA-N 2 1 351.454 2.916 20 30 FFEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414782994 514292283 /nfs/dbraw/zinc/29/22/83/514292283.db2.gz YISFYIHNVXAUBO-UHFFFAOYSA-N 2 1 355.276 2.944 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000067360709 506841615 /nfs/dbraw/zinc/84/16/15/506841615.db2.gz YSRNBESCDIAZQS-OAQYLSRUSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000108709712 507913231 /nfs/dbraw/zinc/91/32/31/507913231.db2.gz NOUIKOGIBUYGRJ-IBGZPJMESA-N 2 1 367.537 2.880 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000106328463 508399241 /nfs/dbraw/zinc/39/92/41/508399241.db2.gz KTPUFXXTWNYFCB-IBGZPJMESA-N 2 1 374.529 2.638 20 30 FFEDMP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000123678202 508724194 /nfs/dbraw/zinc/72/41/94/508724194.db2.gz CSTVUXVBDMEPRM-QGZVFWFLSA-N 2 1 360.527 2.779 20 30 FFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000190008403 509882524 /nfs/dbraw/zinc/88/25/24/509882524.db2.gz OITMZGQKRZWFFQ-XLIONFOSSA-N 2 1 372.513 2.613 20 30 FFEDMP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1ccnc1 ZINC000245516749 509979989 /nfs/dbraw/zinc/97/99/89/509979989.db2.gz GEEFCOVHWGMFOQ-LSTHTHJFSA-N 2 1 363.465 2.833 20 30 FFEDMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190604749 510234717 /nfs/dbraw/zinc/23/47/17/510234717.db2.gz NRCAUNZBEWUOTP-LJQANCHMSA-N 2 1 354.498 2.512 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000246274284 510399004 /nfs/dbraw/zinc/39/90/04/510399004.db2.gz JGCHFXKCCZVBDM-CEXWTWQISA-N 2 1 350.551 2.667 20 30 FFEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccccn3)CC2)cs1 ZINC000178572443 510668214 /nfs/dbraw/zinc/66/82/14/510668214.db2.gz OLITYOGBTBMGFP-UHFFFAOYSA-N 2 1 358.515 2.739 20 30 FFEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575605 510999244 /nfs/dbraw/zinc/99/92/44/510999244.db2.gz JREIKDUNZFWRKW-AABGKKOBSA-N 2 1 353.514 2.608 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000278612772 511000350 /nfs/dbraw/zinc/00/03/50/511000350.db2.gz LKMMVEZMQXIMAL-UHFFFAOYSA-N 2 1 358.486 2.593 20 30 FFEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293326908 511924698 /nfs/dbraw/zinc/92/46/98/511924698.db2.gz MJWCWHFYWZSOMK-IBGZPJMESA-N 2 1 368.525 2.735 20 30 FFEDMP CC[N@H+]1CCCN(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1 ZINC000328812700 511934654 /nfs/dbraw/zinc/93/46/54/511934654.db2.gz FRQJUZVVWRYEES-UHFFFAOYSA-N 2 1 351.520 2.702 20 30 FFEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414782994 514292280 /nfs/dbraw/zinc/29/22/80/514292280.db2.gz YISFYIHNVXAUBO-UHFFFAOYSA-N 2 1 355.276 2.944 20 30 FFEDMP C=CCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OC ZINC000415052821 514417066 /nfs/dbraw/zinc/41/70/66/514417066.db2.gz LOHWJLGLWVEINY-UHFFFAOYSA-N 2 1 359.514 2.566 20 30 FFEDMP CN(CC#CCN(C)CC[C@@H]1CCCC[NH+]1C)CC[C@H]1CCCC[N@H+]1C ZINC000472604194 515334673 /nfs/dbraw/zinc/33/46/73/515334673.db2.gz OCWJZXWJXZNVMX-SZPZYZBQSA-N 2 1 362.606 2.602 20 30 FFEDMP CN(CC#CCN(C)CC[C@@H]1CCCC[N@@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604194 515334684 /nfs/dbraw/zinc/33/46/84/515334684.db2.gz OCWJZXWJXZNVMX-SZPZYZBQSA-N 2 1 362.606 2.602 20 30 FFEDMP CN(CC#CCN(C)CC[C@@H]1CCCC[N@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604194 515334693 /nfs/dbraw/zinc/33/46/93/515334693.db2.gz OCWJZXWJXZNVMX-SZPZYZBQSA-N 2 1 362.606 2.602 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000493790652 515663629 /nfs/dbraw/zinc/66/36/29/515663629.db2.gz QPOIKERLKBVLRH-GHTZIAJQSA-N 2 1 370.541 2.989 20 30 FFEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCn1cc[nH+]c1C ZINC000502138577 516309333 /nfs/dbraw/zinc/30/93/33/516309333.db2.gz NJCYCGPEEVSFPH-UHFFFAOYSA-N 2 1 360.531 2.790 20 30 FFEDMP C=C(CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000512680398 516320843 /nfs/dbraw/zinc/32/08/43/516320843.db2.gz AUHVVTGUDXTLMO-HXUWFJFHSA-N 2 1 358.530 2.757 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000519600442 517071545 /nfs/dbraw/zinc/07/15/45/517071545.db2.gz WSCGAHCTUDMYLL-OAHLLOKOSA-N 2 1 359.297 2.973 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000562983972 517554488 /nfs/dbraw/zinc/55/44/88/517554488.db2.gz HUGXSGCNZHRGOT-QGZVFWFLSA-N 2 1 350.528 2.778 20 30 FFEDMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000572603083 518271800 /nfs/dbraw/zinc/27/18/00/518271800.db2.gz SILRCQVVPRJRJD-GOSISDBHSA-N 2 1 371.448 2.924 20 30 FFEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567691341 518658605 /nfs/dbraw/zinc/65/86/05/518658605.db2.gz VDTWWQVCUMISIJ-NXEWRWPSSA-N 2 1 374.525 2.768 20 30 FFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC000571551631 519153839 /nfs/dbraw/zinc/15/38/39/519153839.db2.gz QLXNMGLTTZYVOV-UTSMFGRCSA-N 2 1 360.498 2.708 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000571754128 519256886 /nfs/dbraw/zinc/25/68/86/519256886.db2.gz INBYSYMTMBPENX-LJQANCHMSA-N 2 1 356.514 2.644 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)C[C@H](C)O1 ZINC000594437283 519964789 /nfs/dbraw/zinc/96/47/89/519964789.db2.gz ASSSXXDXZSAJRN-JTDSTZFVSA-N 2 1 358.486 2.646 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)C[C@H](C)O1 ZINC000594437283 519964794 /nfs/dbraw/zinc/96/47/94/519964794.db2.gz ASSSXXDXZSAJRN-JTDSTZFVSA-N 2 1 358.486 2.646 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccncc3C#N)CC2)CC1 ZINC000592071417 520165995 /nfs/dbraw/zinc/16/59/95/520165995.db2.gz JFAFBCRADVJXOV-UHFFFAOYSA-N 2 1 355.530 2.581 20 30 FFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccncc3C#N)CC2)CC1 ZINC000592071417 520166006 /nfs/dbraw/zinc/16/60/06/520166006.db2.gz JFAFBCRADVJXOV-UHFFFAOYSA-N 2 1 355.530 2.581 20 30 FFEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503749 520514198 /nfs/dbraw/zinc/51/41/98/520514198.db2.gz BGKHIJQGUSWUKN-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503749 520514206 /nfs/dbraw/zinc/51/42/06/520514206.db2.gz BGKHIJQGUSWUKN-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503749 520514213 /nfs/dbraw/zinc/51/42/13/520514213.db2.gz BGKHIJQGUSWUKN-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503749 520514220 /nfs/dbraw/zinc/51/42/20/520514220.db2.gz BGKHIJQGUSWUKN-HXUWFJFHSA-N 2 1 372.538 2.855 20 30 FFEDMP N#Cc1ccc(C[N@H+]2CCCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000596983334 521423278 /nfs/dbraw/zinc/42/32/78/521423278.db2.gz VUWUMFOOIINYJA-UHFFFAOYSA-N 2 1 372.476 2.847 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2cc(Cl)ccc2s1 ZINC000261965753 729655808 /nfs/dbraw/zinc/65/58/08/729655808.db2.gz BASMOHUFTVUXSA-LBPRGKRZSA-N 2 1 351.907 2.838 20 30 FFEDMP CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000303888905 729735620 /nfs/dbraw/zinc/73/56/20/729735620.db2.gz LQFQDFWCMQQVGD-DLBZAZTESA-N 2 1 351.564 2.520 20 30 FFEDMP C=CCn1c(C)cc(C(O)=CONC(=[NH2+])C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000871784474 1013062645 /nfs/dbraw/zinc/06/26/45/1013062645.db2.gz ARFXDBYJXTWSMS-ALOPSCKCSA-N 2 1 358.486 2.845 20 30 FFEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001275872178 1013125186 /nfs/dbraw/zinc/12/51/86/1013125186.db2.gz RPTNJHLWGPPZAK-DLBZAZTESA-N 2 1 373.463 2.904 20 30 FFEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079192 972349609 /nfs/dbraw/zinc/34/96/09/972349609.db2.gz LROIZBQHZPXQCH-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079192 972349614 /nfs/dbraw/zinc/34/96/14/972349614.db2.gz LROIZBQHZPXQCH-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975079192 972349618 /nfs/dbraw/zinc/34/96/18/972349618.db2.gz LROIZBQHZPXQCH-HSALFYBXSA-N 2 1 355.526 2.735 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001266714422 963738883 /nfs/dbraw/zinc/73/88/83/963738883.db2.gz IPXPQNSHRPHJNR-RQXATKFSSA-N 2 1 355.526 2.923 20 30 FFEDMP CC[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262002130 965212912 /nfs/dbraw/zinc/21/29/12/965212912.db2.gz UQZYKAVSKZDNDB-FLVLUOKASA-N 2 1 352.526 2.610 20 30 FFEDMP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087469011 965286928 /nfs/dbraw/zinc/28/69/28/965286928.db2.gz DHMQMPTUNQXLOE-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087469011 965286940 /nfs/dbraw/zinc/28/69/40/965286940.db2.gz DHMQMPTUNQXLOE-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087469011 965286950 /nfs/dbraw/zinc/28/69/50/965286950.db2.gz DHMQMPTUNQXLOE-NSISKUIASA-N 2 1 359.489 2.628 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087473081 965481584 /nfs/dbraw/zinc/48/15/84/965481584.db2.gz MTQHILAPBSVZBN-PCCBWWKXSA-N 2 1 371.525 2.640 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087473081 965481589 /nfs/dbraw/zinc/48/15/89/965481589.db2.gz MTQHILAPBSVZBN-PCCBWWKXSA-N 2 1 371.525 2.640 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087473081 965481602 /nfs/dbraw/zinc/48/16/02/965481602.db2.gz MTQHILAPBSVZBN-PCCBWWKXSA-N 2 1 371.525 2.640 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615893 968027744 /nfs/dbraw/zinc/02/77/44/968027744.db2.gz LLWWBBIKMVMZSY-FDFHNCONSA-N 2 1 367.537 2.572 20 30 FFEDMP CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCC2)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262394057 968092241 /nfs/dbraw/zinc/09/22/41/968092241.db2.gz MQETXXBYOYXITN-BMSWRWNDSA-N 2 1 362.562 2.905 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087625450 968405621 /nfs/dbraw/zinc/40/56/21/968405621.db2.gz IKSKUIJJPVXSEF-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087625450 968405627 /nfs/dbraw/zinc/40/56/27/968405627.db2.gz IKSKUIJJPVXSEF-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087625450 968405631 /nfs/dbraw/zinc/40/56/31/968405631.db2.gz IKSKUIJJPVXSEF-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087625450 968405638 /nfs/dbraw/zinc/40/56/38/968405638.db2.gz IKSKUIJJPVXSEF-ZCNNSNEGSA-N 2 1 354.498 2.512 20 30 FFEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518504 968523823 /nfs/dbraw/zinc/52/38/23/968523823.db2.gz MNQHYDRWADAMDV-LQWHRVPQSA-N 2 1 356.514 2.548 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939457 969282681 /nfs/dbraw/zinc/28/26/81/969282681.db2.gz ATWCWTFOBOAXSI-ICSRJNTNSA-N 2 1 353.551 2.506 20 30 FFEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001104679555 970087815 /nfs/dbraw/zinc/08/78/15/970087815.db2.gz KLGXCWAPMPGACH-KBRIMQKVSA-N 2 1 364.921 2.581 20 30 FFEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001104682502 970098354 /nfs/dbraw/zinc/09/83/54/970098354.db2.gz SNZDWOSWKGVJAL-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)CC1 ZINC000305744239 974249217 /nfs/dbraw/zinc/24/92/17/974249217.db2.gz LHXRTHBGCKZITI-UHFFFAOYSA-N 2 1 371.573 2.951 20 30 FFEDMP C=CCC1([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000661851257 974868996 /nfs/dbraw/zinc/86/89/96/974868996.db2.gz OYDOJQAJDCSISU-UHFFFAOYSA-N 2 1 363.546 2.616 20 30 FFEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001087428915 975713858 /nfs/dbraw/zinc/71/38/58/975713858.db2.gz GTPKPUSEOPFGRO-YPAWHYETSA-N 2 1 367.537 2.858 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431554 976043531 /nfs/dbraw/zinc/04/35/31/976043531.db2.gz VQEAAMMKQWAOBS-NHCUHLMSSA-N 2 1 365.521 2.612 20 30 FFEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087438858 977376351 /nfs/dbraw/zinc/37/63/51/977376351.db2.gz SYJJAJBFTLRECS-FGZHOGPDSA-N 2 1 367.537 2.716 20 30 FFEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCC[NH+]2CCCCC2)CC1=O ZINC000192917331 979830031 /nfs/dbraw/zinc/83/00/31/979830031.db2.gz WZBOFXWXWICHCF-UHFFFAOYSA-N 2 1 367.497 2.522 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262791147 979924205 /nfs/dbraw/zinc/92/42/05/979924205.db2.gz NZFBSRVLIHBZCX-OOKSDGMUSA-N 2 1 356.514 2.733 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705427 1014745301 /nfs/dbraw/zinc/74/53/01/1014745301.db2.gz GNURSFAEDQSPIS-CMKODMSKSA-N 2 1 360.498 2.978 20 30 FFEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCC1 ZINC001105544175 982394257 /nfs/dbraw/zinc/39/42/57/982394257.db2.gz CKGJAYGDNNSYTE-ZHALLVOQSA-N 2 1 354.498 2.678 20 30 FFEDMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2)[NH+](C)C ZINC001107550557 984668925 /nfs/dbraw/zinc/66/89/25/984668925.db2.gz ATWWTJMMKYZTFW-TUNNFDKTSA-N 2 1 368.525 2.759 20 30 FFEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212353456 985518358 /nfs/dbraw/zinc/51/83/58/985518358.db2.gz QUYBNFJPDLWOCA-DJIMGWMZSA-N 2 1 365.543 2.593 20 30 FFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212353456 985518361 /nfs/dbraw/zinc/51/83/61/985518361.db2.gz QUYBNFJPDLWOCA-DJIMGWMZSA-N 2 1 365.543 2.593 20 30 FFEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059394 986139703 /nfs/dbraw/zinc/13/97/03/986139703.db2.gz KKBVKUILVNBSEB-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059394 986139709 /nfs/dbraw/zinc/13/97/09/986139709.db2.gz KKBVKUILVNBSEB-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059394 986139712 /nfs/dbraw/zinc/13/97/12/986139712.db2.gz KKBVKUILVNBSEB-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001089059394 986139720 /nfs/dbraw/zinc/13/97/20/986139720.db2.gz KKBVKUILVNBSEB-LSTHTHJFSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)c(F)c3)[C@@H]2C)CC1 ZINC001089059341 986140078 /nfs/dbraw/zinc/14/00/78/986140078.db2.gz IROUDCGLEYOEMA-UTKZUKDTSA-N 2 1 371.500 2.558 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430824 986776121 /nfs/dbraw/zinc/77/61/21/986776121.db2.gz YCCKYMGZVJHEKD-IPMKNSEASA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430824 986776133 /nfs/dbraw/zinc/77/61/33/986776133.db2.gz YCCKYMGZVJHEKD-IPMKNSEASA-N 2 1 353.551 2.647 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430824 986776142 /nfs/dbraw/zinc/77/61/42/986776142.db2.gz YCCKYMGZVJHEKD-IPMKNSEASA-N 2 1 353.551 2.647 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001095920283 1015385436 /nfs/dbraw/zinc/38/54/36/1015385436.db2.gz QCXAUJAUFFDCNE-JDCPMNFLSA-N 2 1 366.509 2.510 20 30 FFEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC[NH+]1C ZINC001095920283 1015385449 /nfs/dbraw/zinc/38/54/49/1015385449.db2.gz QCXAUJAUFFDCNE-JDCPMNFLSA-N 2 1 366.509 2.510 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001033837728 989751678 /nfs/dbraw/zinc/75/16/78/989751678.db2.gz JFNOGRIBTRPVPT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001033837728 989751681 /nfs/dbraw/zinc/75/16/81/989751681.db2.gz JFNOGRIBTRPVPT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001033837728 989751685 /nfs/dbraw/zinc/75/16/85/989751685.db2.gz JFNOGRIBTRPVPT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001033837728 989751689 /nfs/dbraw/zinc/75/16/89/989751689.db2.gz JFNOGRIBTRPVPT-BHIFYINESA-N 2 1 367.537 2.691 20 30 FFEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000920281631 990827019 /nfs/dbraw/zinc/82/70/19/990827019.db2.gz GBYFTAXLLDNACS-VQIMIIECSA-N 2 1 374.554 2.528 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079185038 991893954 /nfs/dbraw/zinc/89/39/54/991893954.db2.gz ARXASFTVKHMMKT-GEALJGNFSA-N 2 1 359.489 2.626 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001079187663 991898601 /nfs/dbraw/zinc/89/86/01/991898601.db2.gz SDCZXRIBBSBCKR-HSALFYBXSA-N 2 1 359.489 2.770 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001079310820 992010465 /nfs/dbraw/zinc/01/04/65/992010465.db2.gz LKDNNKFXDQEQAK-IMFGXOCKSA-N 2 1 359.489 2.770 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000730283490 997044523 /nfs/dbraw/zinc/04/45/23/997044523.db2.gz YPKYXWRYQDNXDY-NRFANRHFSA-N 2 1 353.510 2.632 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000730283490 997044538 /nfs/dbraw/zinc/04/45/38/997044538.db2.gz YPKYXWRYQDNXDY-NRFANRHFSA-N 2 1 353.510 2.632 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085245210 999243479 /nfs/dbraw/zinc/24/34/79/999243479.db2.gz PASAQZUYUVZXQV-VAMGGRTRSA-N 2 1 354.498 2.560 20 30 FFEDMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085332039 999373755 /nfs/dbraw/zinc/37/37/55/999373755.db2.gz IRFFLACJWPIJQI-PWIZWCRZSA-N 2 1 354.498 2.560 20 30 FFEDMP C=CCc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc(OC)c1O ZINC000903980140 1016356644 /nfs/dbraw/zinc/35/66/44/1016356644.db2.gz JPVQAYYHVMWDOH-BGYRXZFFSA-N 2 1 371.525 2.530 20 30 FFEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(NC(=O)Nc3ccc(C#N)cc3)CC1)C2 ZINC001169152658 1000027901 /nfs/dbraw/zinc/02/79/01/1000027901.db2.gz CHELFPOLNYEERU-ACDBMABISA-N 2 1 367.497 2.769 20 30 FFEDMP CC(=O)N1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596373 1000060709 /nfs/dbraw/zinc/06/07/09/1000060709.db2.gz MTJMJUCXIWNARX-NJDAHSKKSA-N 2 1 354.498 2.641 20 30 FFEDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232454 1000373390 /nfs/dbraw/zinc/37/33/90/1000373390.db2.gz SONFOQBSMDEZOQ-XLIONFOSSA-N 2 1 369.509 2.839 20 30 FFEDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)C1 ZINC001171232454 1000373395 /nfs/dbraw/zinc/37/33/95/1000373395.db2.gz SONFOQBSMDEZOQ-XLIONFOSSA-N 2 1 369.509 2.839 20 30 FFEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC001148298387 1001101447 /nfs/dbraw/zinc/10/14/47/1001101447.db2.gz OWTWYRLWLVEGAR-QZTJIDSGSA-N 2 1 356.514 2.804 20 30 FFEDMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001110015014 1001306685 /nfs/dbraw/zinc/30/66/85/1001306685.db2.gz SNWJOSLIWVRKPC-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001110015014 1001306690 /nfs/dbraw/zinc/30/66/90/1001306690.db2.gz SNWJOSLIWVRKPC-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110015014 1001306694 /nfs/dbraw/zinc/30/66/94/1001306694.db2.gz SNWJOSLIWVRKPC-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110015014 1001306702 /nfs/dbraw/zinc/30/67/02/1001306702.db2.gz SNWJOSLIWVRKPC-HOJAQTOUSA-N 2 1 372.488 2.651 20 30 FFEDMP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924518 1001333039 /nfs/dbraw/zinc/33/30/39/1001333039.db2.gz USZQWTCOTUIXRR-GVDBMIGSSA-N 2 1 353.938 2.782 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092190898 1002483433 /nfs/dbraw/zinc/48/34/33/1002483433.db2.gz ZDLSYLAYDJILQL-BAGYTPMASA-N 2 1 355.526 2.820 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605722 1002922470 /nfs/dbraw/zinc/92/24/70/1002922470.db2.gz SPAIPZGOMDKQNH-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001086605722 1002922477 /nfs/dbraw/zinc/92/24/77/1002922477.db2.gz SPAIPZGOMDKQNH-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001086605722 1002922485 /nfs/dbraw/zinc/92/24/85/1002922485.db2.gz SPAIPZGOMDKQNH-BHIFYINESA-N 2 1 367.537 2.716 20 30 FFEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086605914 1002957854 /nfs/dbraw/zinc/95/78/54/1002957854.db2.gz BLEYXHCUGRMZSK-VQTJNVASSA-N 2 1 365.477 2.562 20 30 FFEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086605914 1002957860 /nfs/dbraw/zinc/95/78/60/1002957860.db2.gz BLEYXHCUGRMZSK-VQTJNVASSA-N 2 1 365.477 2.562 20 30 FFEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001086609555 1003209706 /nfs/dbraw/zinc/20/97/06/1003209706.db2.gz LZVAAJWBEDNNSH-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609555 1003209712 /nfs/dbraw/zinc/20/97/12/1003209712.db2.gz LZVAAJWBEDNNSH-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609555 1003209717 /nfs/dbraw/zinc/20/97/17/1003209717.db2.gz LZVAAJWBEDNNSH-SESVDKBCSA-N 2 1 355.526 2.879 20 30 FFEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658519 1003364189 /nfs/dbraw/zinc/36/41/89/1003364189.db2.gz YFIUTGNXJWGELL-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658519 1003364195 /nfs/dbraw/zinc/36/41/95/1003364195.db2.gz YFIUTGNXJWGELL-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658519 1003364203 /nfs/dbraw/zinc/36/42/03/1003364203.db2.gz YFIUTGNXJWGELL-UIFIKXQLSA-N 2 1 368.525 2.617 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384594 1004471909 /nfs/dbraw/zinc/47/19/09/1004471909.db2.gz OKIGZIKMGLGSRU-IAGOWNOFSA-N 2 1 367.559 2.555 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001489269284 1005443746 /nfs/dbraw/zinc/44/37/46/1005443746.db2.gz HTDNXUZSKCSBCD-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489269284 1005443747 /nfs/dbraw/zinc/44/37/47/1005443747.db2.gz HTDNXUZSKCSBCD-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1cccc(C#N)c1 ZINC001489269284 1005443748 /nfs/dbraw/zinc/44/37/48/1005443748.db2.gz HTDNXUZSKCSBCD-UXPWSPDFSA-N 2 1 354.498 2.512 20 30 FFEDMP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357344 1005810841 /nfs/dbraw/zinc/81/08/41/1005810841.db2.gz GLVFXMMLECGERE-NRFANRHFSA-N 2 1 350.462 2.555 20 30 FFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850470964 1005817772 /nfs/dbraw/zinc/81/77/72/1005817772.db2.gz KFAOGCCOKKXRAG-QGZVFWFLSA-N 2 1 367.415 2.567 20 30 FFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850470964 1005817774 /nfs/dbraw/zinc/81/77/74/1005817774.db2.gz KFAOGCCOKKXRAG-QGZVFWFLSA-N 2 1 367.415 2.567 20 30 FFEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086712149 1005959831 /nfs/dbraw/zinc/95/98/31/1005959831.db2.gz RKLXUWCZQFOIGB-IOMROCGXSA-N 2 1 368.525 2.807 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188517927 1006588752 /nfs/dbraw/zinc/58/87/52/1006588752.db2.gz GZIMDLYGLKZYQL-ABSDTBQOSA-N 2 1 365.481 2.768 20 30 FFEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045333 1006645358 /nfs/dbraw/zinc/64/53/58/1006645358.db2.gz XRBWSSGCCXKMCM-WIYYLYMNSA-N 2 1 367.537 2.747 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926306 1006783543 /nfs/dbraw/zinc/78/35/43/1006783543.db2.gz NFIKZIZCITVXCN-ZCNNSNEGSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926306 1006783550 /nfs/dbraw/zinc/78/35/50/1006783550.db2.gz NFIKZIZCITVXCN-ZCNNSNEGSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926306 1006783561 /nfs/dbraw/zinc/78/35/61/1006783561.db2.gz NFIKZIZCITVXCN-ZCNNSNEGSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926306 1006783571 /nfs/dbraw/zinc/78/35/71/1006783571.db2.gz NFIKZIZCITVXCN-ZCNNSNEGSA-N 2 1 365.562 2.599 20 30 FFEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001206339198 1032239889 /nfs/dbraw/zinc/23/98/89/1032239889.db2.gz LNCDXSMLBQKTCE-RTWAWAEBSA-N 2 1 355.526 2.736 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747418 1008369593 /nfs/dbraw/zinc/36/95/93/1008369593.db2.gz PMPQPMYGAYRUDW-NBYUQASBSA-N 2 1 356.514 2.984 20 30 FFEDMP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178518128 1009016266 /nfs/dbraw/zinc/01/62/66/1009016266.db2.gz GNZHMRIWJQNADI-HUUCEWRRSA-N 2 1 360.340 2.501 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cc(C#N)cs3)CC2)CC1 ZINC000887967353 1009702830 /nfs/dbraw/zinc/70/28/30/1009702830.db2.gz ZVWFJVCFJJKRJT-UHFFFAOYSA-N 2 1 374.554 2.774 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276244 1009778127 /nfs/dbraw/zinc/77/81/27/1009778127.db2.gz HSIIPLVHHOAYCK-FUHWJXTLSA-N 2 1 367.534 2.641 20 30 FFEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001093369514 1010231466 /nfs/dbraw/zinc/23/14/66/1010231466.db2.gz BIWKXAWMKLCCPE-XUVXKRRUSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093369514 1010231476 /nfs/dbraw/zinc/23/14/76/1010231476.db2.gz BIWKXAWMKLCCPE-XUVXKRRUSA-N 2 1 359.558 2.996 20 30 FFEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001093369514 1010231483 /nfs/dbraw/zinc/23/14/83/1010231483.db2.gz BIWKXAWMKLCCPE-XUVXKRRUSA-N 2 1 359.558 2.996 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001093833075 1010604385 /nfs/dbraw/zinc/60/43/85/1010604385.db2.gz QAYBJTKIJCUMEG-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001093833075 1010604387 /nfs/dbraw/zinc/60/43/87/1010604387.db2.gz QAYBJTKIJCUMEG-FCEUIQTBSA-N 2 1 367.537 2.585 20 30 FFEDMP CN(C)C(NCc1ccc(C[NH+]2CCOCC2)cc1)=[NH+]Cc1ccccc1 ZINC000303772165 1012426068 /nfs/dbraw/zinc/42/60/68/1012426068.db2.gz DHMKCOXNWWIRBO-UHFFFAOYSA-N 2 1 366.509 2.726 20 30 FFEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173329896 1012445631 /nfs/dbraw/zinc/44/56/31/1012445631.db2.gz PDKMWZLHHDTDGP-UHFFFAOYSA-N 2 1 350.507 2.777 20 30 FFEDMP CC1(C#N)CCC([N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173596233 1012767090 /nfs/dbraw/zinc/76/70/90/1012767090.db2.gz ONMLEMUKKVTWJM-UHFFFAOYSA-N 2 1 369.513 2.517 20 30 FFEDMP CC1(C#N)CCC([N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173596233 1012767102 /nfs/dbraw/zinc/76/71/02/1012767102.db2.gz ONMLEMUKKVTWJM-UHFFFAOYSA-N 2 1 369.513 2.517 20 30 FFEDMP CC1(C)[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925701927 1017821329 /nfs/dbraw/zinc/82/13/29/1017821329.db2.gz IIHRNOGFEYHDEX-HKBOAZHASA-N 2 1 352.526 2.889 20 30 FFEDMP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875096 1021290729 /nfs/dbraw/zinc/29/07/29/1021290729.db2.gz MPRFCININHLIJH-SCTDSRPQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875096 1021290734 /nfs/dbraw/zinc/29/07/34/1021290734.db2.gz MPRFCININHLIJH-SCTDSRPQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875096 1021290739 /nfs/dbraw/zinc/29/07/39/1021290739.db2.gz MPRFCININHLIJH-SCTDSRPQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875096 1021290743 /nfs/dbraw/zinc/29/07/43/1021290743.db2.gz MPRFCININHLIJH-SCTDSRPQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875096 1021290750 /nfs/dbraw/zinc/29/07/50/1021290750.db2.gz MPRFCININHLIJH-SCTDSRPQSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098945941 1021457399 /nfs/dbraw/zinc/45/73/99/1021457399.db2.gz RFISATSJCJHAKE-UWJYYQICSA-N 2 1 356.514 2.699 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098945941 1021457407 /nfs/dbraw/zinc/45/74/07/1021457407.db2.gz RFISATSJCJHAKE-UWJYYQICSA-N 2 1 356.514 2.699 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099097366 1021784694 /nfs/dbraw/zinc/78/46/94/1021784694.db2.gz CSZKONGUSGFUAT-RXVVDRJESA-N 2 1 365.481 2.818 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099097366 1021784709 /nfs/dbraw/zinc/78/47/09/1021784709.db2.gz CSZKONGUSGFUAT-RXVVDRJESA-N 2 1 365.481 2.818 20 30 FFEDMP C=C1CC[NH2+]C[C@H]1Oc1nc(C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001218208515 1033050719 /nfs/dbraw/zinc/05/07/19/1033050719.db2.gz NKJNNKWNWAFELO-HXUWFJFHSA-N 2 1 350.466 2.640 20 30 FFEDMP C=C1CC[NH2+]C[C@H]1Oc1nc(C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001218208515 1033050726 /nfs/dbraw/zinc/05/07/26/1033050726.db2.gz NKJNNKWNWAFELO-HXUWFJFHSA-N 2 1 350.466 2.640 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC001120496609 1023341036 /nfs/dbraw/zinc/34/10/36/1023341036.db2.gz FPXAZFPBGZMAME-MRXNPFEDSA-N 2 1 371.308 2.810 20 30 FFEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364716 1024553713 /nfs/dbraw/zinc/55/37/13/1024553713.db2.gz YSFQZCYIPIGSBX-QMMLZNLJSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364716 1024553726 /nfs/dbraw/zinc/55/37/26/1024553726.db2.gz YSFQZCYIPIGSBX-QMMLZNLJSA-N 2 1 365.537 2.945 20 30 FFEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364716 1024553733 /nfs/dbraw/zinc/55/37/33/1024553733.db2.gz YSFQZCYIPIGSBX-QMMLZNLJSA-N 2 1 365.537 2.945 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580764 1026335407 /nfs/dbraw/zinc/33/54/07/1026335407.db2.gz KXZTXIQGQOVWFO-HSALFYBXSA-N 2 1 367.578 2.609 20 30 FFEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596240 1026387399 /nfs/dbraw/zinc/38/73/99/1026387399.db2.gz VCKDKOKWOZZWHC-IFMALSPDSA-N 2 1 367.537 2.598 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083813 1026945624 /nfs/dbraw/zinc/94/56/24/1026945624.db2.gz KNAIZSQWMQGVKA-KBAYOESNSA-N 2 1 355.954 2.791 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083813 1026945626 /nfs/dbraw/zinc/94/56/26/1026945626.db2.gz KNAIZSQWMQGVKA-KBAYOESNSA-N 2 1 355.954 2.791 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083813 1026945631 /nfs/dbraw/zinc/94/56/31/1026945631.db2.gz KNAIZSQWMQGVKA-KBAYOESNSA-N 2 1 355.954 2.791 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001103099284 1026962039 /nfs/dbraw/zinc/96/20/39/1026962039.db2.gz HWGGFAKVKRQDOT-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001103099284 1026962050 /nfs/dbraw/zinc/96/20/50/1026962050.db2.gz HWGGFAKVKRQDOT-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001103099284 1026962057 /nfs/dbraw/zinc/96/20/57/1026962057.db2.gz HWGGFAKVKRQDOT-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001103099284 1026962063 /nfs/dbraw/zinc/96/20/63/1026962063.db2.gz HWGGFAKVKRQDOT-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1C ZINC001103099689 1026962233 /nfs/dbraw/zinc/96/22/33/1026962233.db2.gz TVCXUFBIEHLKCM-VWQQXTOVSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@H]1C ZINC001103099689 1026962238 /nfs/dbraw/zinc/96/22/38/1026962238.db2.gz TVCXUFBIEHLKCM-VWQQXTOVSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C/CCC)C[C@H]1C ZINC001103099689 1026962244 /nfs/dbraw/zinc/96/22/44/1026962244.db2.gz TVCXUFBIEHLKCM-VWQQXTOVSA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC/C=C/CCC)C[C@H]1C ZINC001103099689 1026962250 /nfs/dbraw/zinc/96/22/50/1026962250.db2.gz TVCXUFBIEHLKCM-VWQQXTOVSA-N 2 1 359.558 2.905 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001104210796 1028666948 /nfs/dbraw/zinc/66/69/48/1028666948.db2.gz AXUBBIDDOMLXEN-YKTARERQSA-N 2 1 374.554 2.534 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794837 1029468035 /nfs/dbraw/zinc/46/80/35/1029468035.db2.gz MKBZQHQDGGPJPU-FTRWYGJKSA-N 2 1 360.502 2.675 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794837 1029468039 /nfs/dbraw/zinc/46/80/39/1029468039.db2.gz MKBZQHQDGGPJPU-FTRWYGJKSA-N 2 1 360.502 2.675 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC001158403379 1029820300 /nfs/dbraw/zinc/82/03/00/1029820300.db2.gz HKCAKHGMLNLPFT-PKOBYXMFSA-N 2 1 361.917 2.518 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001205443746 1031749346 /nfs/dbraw/zinc/74/93/46/1031749346.db2.gz XJEZDJMXTXZQGQ-VQTJNVASSA-N 2 1 370.472 2.881 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cccc(F)c1 ZINC001205458305 1031763720 /nfs/dbraw/zinc/76/37/20/1031763720.db2.gz HQBUZKYRGISHRT-HBMCJLEFSA-N 2 1 371.500 2.607 20 30 FFEDMP C=C(C)CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001151132730 1031861780 /nfs/dbraw/zinc/86/17/80/1031861780.db2.gz UULBRCUVHNRWGW-RBUKOAKNSA-N 2 1 365.562 2.670 20 30 FFEDMP C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000829804733 1033347440 /nfs/dbraw/zinc/34/74/40/1033347440.db2.gz KZFDFOBGBYZWKA-SFHLNBCPSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000829804733 1033347458 /nfs/dbraw/zinc/34/74/58/1033347458.db2.gz KZFDFOBGBYZWKA-SFHLNBCPSA-N 2 1 353.510 2.501 20 30 FFEDMP C#CC[C@@H]1CCC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000829804733 1033347471 /nfs/dbraw/zinc/34/74/71/1033347471.db2.gz KZFDFOBGBYZWKA-SFHLNBCPSA-N 2 1 353.510 2.501 20 30 FFEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](CCC)CCC)[C@H]2C1 ZINC001218952294 1033422606 /nfs/dbraw/zinc/42/26/06/1033422606.db2.gz MLQSJIRMCJYSLH-VQTJNVASSA-N 2 1 365.562 2.766 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665404 1033737156 /nfs/dbraw/zinc/73/71/56/1033737156.db2.gz JOHDWQCKGLBCST-KURKYZTESA-N 2 1 364.534 2.528 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665404 1033737175 /nfs/dbraw/zinc/73/71/75/1033737175.db2.gz JOHDWQCKGLBCST-KURKYZTESA-N 2 1 364.534 2.528 20 30 FFEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226333536 1034633151 /nfs/dbraw/zinc/63/31/51/1034633151.db2.gz LERFXJZILPIMPO-KZNAEPCWSA-N 2 1 362.518 2.616 20 30 FFEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001226876592 1034870728 /nfs/dbraw/zinc/87/07/28/1034870728.db2.gz FJAJKXFWROKNSS-PWRODBHTSA-N 2 1 368.525 2.950 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226891881 1034875315 /nfs/dbraw/zinc/87/53/15/1034875315.db2.gz WBTZBIKGWALWQI-YPAWHYETSA-N 2 1 367.537 2.930 20 30 FFEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC001139528070 1035148085 /nfs/dbraw/zinc/14/80/85/1035148085.db2.gz MGQQPAHKBFXLHB-CTNGQTDRSA-N 2 1 357.473 2.878 20 30 FFEDMP C#CCNC(=O)CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382379 1035373832 /nfs/dbraw/zinc/37/38/32/1035373832.db2.gz MATZARHXKREVCG-JOCHJYFZSA-N 2 1 367.537 2.749 20 30 FFEDMP C=CCN(CC[NH+]1CCN(c2cc[nH+]cc2C)CC1)C(=O)OC(C)(C)C ZINC001207204080 1037242098 /nfs/dbraw/zinc/24/20/98/1037242098.db2.gz ARFORUMCCUNVGK-UHFFFAOYSA-N 2 1 360.502 2.935 20 30 FFEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230766528 1037348567 /nfs/dbraw/zinc/34/85/67/1037348567.db2.gz COFALIXFJVJDKZ-VQTJNVASSA-N 2 1 358.530 2.696 20 30 FFEDMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001235325598 1037477775 /nfs/dbraw/zinc/47/77/75/1037477775.db2.gz OXNKDZQWBVXEPR-SIKLNZKXSA-N 2 1 367.493 2.703 20 30 FFEDMP C=CCN(CC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1)C(=O)OCC ZINC001235367377 1037509642 /nfs/dbraw/zinc/50/96/42/1037509642.db2.gz SMOKUURCXBEWGW-UNMCSNQZSA-N 2 1 371.525 2.884 20 30 FFEDMP C=CCN(CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1)C(=O)OCC ZINC001235367377 1037509655 /nfs/dbraw/zinc/50/96/55/1037509655.db2.gz SMOKUURCXBEWGW-UNMCSNQZSA-N 2 1 371.525 2.884 20 30 FFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CC1 ZINC001236398697 1038070203 /nfs/dbraw/zinc/07/02/03/1038070203.db2.gz IMAJXQHTAKXBKX-JOCHJYFZSA-N 2 1 361.574 2.923 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415923 1038295405 /nfs/dbraw/zinc/29/54/05/1038295405.db2.gz XVZQNIMJBUSZJZ-QRVBRYPASA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415923 1038295418 /nfs/dbraw/zinc/29/54/18/1038295418.db2.gz XVZQNIMJBUSZJZ-QRVBRYPASA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208415923 1038295433 /nfs/dbraw/zinc/29/54/33/1038295433.db2.gz XVZQNIMJBUSZJZ-QRVBRYPASA-N 2 1 353.551 2.503 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208415923 1038295449 /nfs/dbraw/zinc/29/54/49/1038295449.db2.gz XVZQNIMJBUSZJZ-QRVBRYPASA-N 2 1 353.551 2.503 20 30 FFEDMP CC(C)(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001278973592 1038647211 /nfs/dbraw/zinc/64/72/11/1038647211.db2.gz VXUKFIUBSZUSJU-LMMKCTJWSA-N 2 1 365.481 2.706 20 30 FFEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001246027077 1039200364 /nfs/dbraw/zinc/20/03/64/1039200364.db2.gz HFRPMXTZQRLETA-RBUKOAKNSA-N 2 1 366.546 2.881 20 30 FFEDMP N#Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC001252950262 1039853795 /nfs/dbraw/zinc/85/37/95/1039853795.db2.gz HSHHGFIOWWORRG-HXUWFJFHSA-N 2 1 355.869 2.938 20 30 FFEDMP N#Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC001252950262 1039853820 /nfs/dbraw/zinc/85/38/20/1039853820.db2.gz HSHHGFIOWWORRG-HXUWFJFHSA-N 2 1 355.869 2.938 20 30 FFEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001253241788 1040065332 /nfs/dbraw/zinc/06/53/32/1040065332.db2.gz DIEGGLGSXKGSQR-OAQYLSRUSA-N 2 1 351.579 2.833 20 30 FFEDMP N#Cc1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278734657 1040297367 /nfs/dbraw/zinc/29/73/67/1040297367.db2.gz GBQCEEQRVOVCCV-UHFFFAOYSA-N 2 1 353.445 2.909 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001213322403 1040447097 /nfs/dbraw/zinc/44/70/97/1040447097.db2.gz IJARRAJRFGJHND-VAMGGRTRSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001213322403 1040447110 /nfs/dbraw/zinc/44/71/10/1040447110.db2.gz IJARRAJRFGJHND-VAMGGRTRSA-N 2 1 365.562 2.670 20 30 FFEDMP C=CCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC001255132292 1041165877 /nfs/dbraw/zinc/16/58/77/1041165877.db2.gz TVQIWULULOYORB-WOZUAGRISA-N 2 1 353.510 2.949 20 30 FFEDMP C=CCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC001255132292 1041165883 /nfs/dbraw/zinc/16/58/83/1041165883.db2.gz TVQIWULULOYORB-WOZUAGRISA-N 2 1 353.510 2.949 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001255365914 1041296354 /nfs/dbraw/zinc/29/63/54/1041296354.db2.gz ZICSMUAJRBFOOT-GOSISDBHSA-N 2 1 362.562 2.626 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001255365914 1041296365 /nfs/dbraw/zinc/29/63/65/1041296365.db2.gz ZICSMUAJRBFOOT-GOSISDBHSA-N 2 1 362.562 2.626 20 30 FFEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001265394808 1042857593 /nfs/dbraw/zinc/85/75/93/1042857593.db2.gz JIMWQAZQGYHXLQ-NNWRFLSQSA-N 2 1 367.537 2.526 20 30 FFEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265394808 1042857596 /nfs/dbraw/zinc/85/75/96/1042857596.db2.gz JIMWQAZQGYHXLQ-NNWRFLSQSA-N 2 1 367.537 2.526 20 30 FFEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001265394808 1042857601 /nfs/dbraw/zinc/85/76/01/1042857601.db2.gz JIMWQAZQGYHXLQ-NNWRFLSQSA-N 2 1 367.537 2.526 20 30 FFEDMP N#Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)ccc1F ZINC001279372727 1043034036 /nfs/dbraw/zinc/03/40/36/1043034036.db2.gz JTJORAMBBHVOSQ-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)ccc1F ZINC001279372727 1043034039 /nfs/dbraw/zinc/03/40/39/1043034039.db2.gz JTJORAMBBHVOSQ-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP N#Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)ccc1F ZINC001279372727 1043034045 /nfs/dbraw/zinc/03/40/45/1043034045.db2.gz JTJORAMBBHVOSQ-HDICACEKSA-N 2 1 353.445 2.764 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001278135645 1043325627 /nfs/dbraw/zinc/32/56/27/1043325627.db2.gz WQMBFUFGRBOGBW-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001278135645 1043325632 /nfs/dbraw/zinc/32/56/32/1043325632.db2.gz WQMBFUFGRBOGBW-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001278135645 1043325641 /nfs/dbraw/zinc/32/56/41/1043325641.db2.gz WQMBFUFGRBOGBW-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001278135645 1043325649 /nfs/dbraw/zinc/32/56/49/1043325649.db2.gz WQMBFUFGRBOGBW-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCCc3ccc(C#N)cc3)C[C@H]2CC1 ZINC001278135645 1043325660 /nfs/dbraw/zinc/32/56/60/1043325660.db2.gz WQMBFUFGRBOGBW-SZPZYZBQSA-N 2 1 354.542 2.696 20 30 FFEDMP COC(C)(C)C[NH+]1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280057313 1044147566 /nfs/dbraw/zinc/14/75/66/1044147566.db2.gz ZBCCBOCASHDNSQ-UHFFFAOYSA-N 2 1 358.530 3.000 20 30 FFEDMP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316722617 1044838300 /nfs/dbraw/zinc/83/83/00/1044838300.db2.gz VPVTWKRZULFJEP-AQNXPRMDSA-N 2 1 361.505 2.872 20 30 FFEDMP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316722617 1044838319 /nfs/dbraw/zinc/83/83/19/1044838319.db2.gz VPVTWKRZULFJEP-AQNXPRMDSA-N 2 1 361.505 2.872 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001342355248 1050950266 /nfs/dbraw/zinc/95/02/66/1050950266.db2.gz OLNBBXOVTPBYAW-CEXWTWQISA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001342355248 1050950282 /nfs/dbraw/zinc/95/02/82/1050950282.db2.gz OLNBBXOVTPBYAW-CEXWTWQISA-N 2 1 374.577 2.830 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001342355248 1050950292 /nfs/dbraw/zinc/95/02/92/1050950292.db2.gz OLNBBXOVTPBYAW-CEXWTWQISA-N 2 1 374.577 2.830 20 30 FFEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001336786031 1054224239 /nfs/dbraw/zinc/22/42/39/1054224239.db2.gz XYMOOCPLLHLIBL-HXUWFJFHSA-N 2 1 352.478 2.657 20 30 FFEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200554127 1058557618 /nfs/dbraw/zinc/55/76/18/1058557618.db2.gz GCXXNNZFZDKEQI-HSALFYBXSA-N 2 1 367.578 2.894 20 30 FFEDMP CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000848533815 1060234997 /nfs/dbraw/zinc/23/49/97/1060234997.db2.gz KIVWFUQOHUPPAL-RBUKOAKNSA-N 2 1 373.497 2.719 20 30 FFEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001468831733 1064045803 /nfs/dbraw/zinc/04/58/03/1064045803.db2.gz REOKYSSQYDOKMQ-MJGOQNOKSA-N 2 1 356.514 2.513 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001468831733 1064045806 /nfs/dbraw/zinc/04/58/06/1064045806.db2.gz REOKYSSQYDOKMQ-MJGOQNOKSA-N 2 1 356.514 2.513 20 30 FFEDMP COC(=O)c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1C#N ZINC001578874508 1078538409 /nfs/dbraw/zinc/53/84/09/1078538409.db2.gz DAZHFBBORVIIKU-MRXNPFEDSA-N 2 1 355.482 2.947 20 30 FFEDMP CC(C)(C)[C@]1(C[NH2+][C@H]2CCCN(O)C2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001560912898 1076309107 /nfs/dbraw/zinc/30/91/07/1076309107.db2.gz NYFIPCZUKDBXBG-RXVVDRJESA-N 2 1 359.514 2.895 20 30 FFEDMP CC(C)(C)[C@]1(C[NH2+][C@H]2CCCN(O)C2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001560912898 1076309112 /nfs/dbraw/zinc/30/91/12/1076309112.db2.gz NYFIPCZUKDBXBG-RXVVDRJESA-N 2 1 359.514 2.895 20 30 FFEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001565874557 1076774326 /nfs/dbraw/zinc/77/43/26/1076774326.db2.gz QHPNZKLTHOVRGR-WLRLJWMZSA-N 2 1 355.526 2.782 20 30 FFEDMP C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H]1CCCC[N@@H+]1CCCC ZINC001574485092 1078000065 /nfs/dbraw/zinc/00/00/65/1078000065.db2.gz APEGQHIJLKJFOZ-INDMIFKZSA-N 2 1 372.561 2.595 20 30 FFEDMP C=CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc(OC)c1O ZINC000371333035 512336336 /nfs/dbraw/zinc/33/63/36/512336336.db2.gz BYPHDIAPDHLYFW-HXUWFJFHSA-N 2 1 373.541 2.730 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080121091 508040718 /nfs/dbraw/zinc/04/07/18/508040718.db2.gz UBVADNDZQONDHG-WIYYLYMNSA-N 2 1 370.541 2.989 20 30 FFEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000367200676 512382130 /nfs/dbraw/zinc/38/21/30/512382130.db2.gz PMLOTNIIEKPCGR-UHFFFAOYSA-N 2 1 354.498 2.741 20 30 FFEDMP C=C(C)COc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1OC ZINC000105476448 508374196 /nfs/dbraw/zinc/37/41/96/508374196.db2.gz QEYCCVZJCXBJFJ-UHFFFAOYSA-N 2 1 361.530 2.767 20 30 FFEDMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000122103888 508481799 /nfs/dbraw/zinc/48/17/99/508481799.db2.gz XZGGLKQALRPBHT-NRFANRHFSA-N 2 1 359.514 2.662 20 30 FFEDMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000122227079 508502575 /nfs/dbraw/zinc/50/25/75/508502575.db2.gz DFAYZARZPXFXIN-UHFFFAOYSA-N 2 1 372.513 2.567 20 30 FFEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000122227079 508502577 /nfs/dbraw/zinc/50/25/77/508502577.db2.gz DFAYZARZPXFXIN-UHFFFAOYSA-N 2 1 372.513 2.567 20 30 FFEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000158959110 508773474 /nfs/dbraw/zinc/77/34/74/508773474.db2.gz MCDAOWPPUNYAFM-UWJYYQICSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000158959110 508773477 /nfs/dbraw/zinc/77/34/77/508773477.db2.gz MCDAOWPPUNYAFM-UWJYYQICSA-N 2 1 360.546 2.771 20 30 FFEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000159000848 508779261 /nfs/dbraw/zinc/77/92/61/508779261.db2.gz CCYQYNCPYRNISK-IBGZPJMESA-N 2 1 373.545 2.619 20 30 FFEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000159000848 508779265 /nfs/dbraw/zinc/77/92/65/508779265.db2.gz CCYQYNCPYRNISK-IBGZPJMESA-N 2 1 373.545 2.619 20 30 FFEDMP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000262025232 510150431 /nfs/dbraw/zinc/15/04/31/510150431.db2.gz NLSBVBSZPVMTAH-INIZCTEOSA-N 2 1 365.905 2.724 20 30 FFEDMP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000262025232 510150436 /nfs/dbraw/zinc/15/04/36/510150436.db2.gz NLSBVBSZPVMTAH-INIZCTEOSA-N 2 1 365.905 2.724 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000171780925 510365941 /nfs/dbraw/zinc/36/59/41/510365941.db2.gz JCSKMLKEWQLDPJ-HXUWFJFHSA-N 2 1 362.562 2.981 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000184612561 510417173 /nfs/dbraw/zinc/41/71/73/510417173.db2.gz BSQYXLAGLVYKOL-NRFANRHFSA-N 2 1 370.541 2.943 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247001402 510791908 /nfs/dbraw/zinc/79/19/08/510791908.db2.gz WXLRMLWIJSZUSE-HKUYNNGSSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247001402 510791913 /nfs/dbraw/zinc/79/19/13/510791913.db2.gz WXLRMLWIJSZUSE-HKUYNNGSSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247001402 510791921 /nfs/dbraw/zinc/79/19/21/510791921.db2.gz WXLRMLWIJSZUSE-HKUYNNGSSA-N 2 1 355.482 2.894 20 30 FFEDMP COc1cc(C#N)ccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247001402 510791929 /nfs/dbraw/zinc/79/19/29/510791929.db2.gz WXLRMLWIJSZUSE-HKUYNNGSSA-N 2 1 355.482 2.894 20 30 FFEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000298401786 511272176 /nfs/dbraw/zinc/27/21/76/511272176.db2.gz JROSJRFJWPMBOI-UHFFFAOYSA-N 2 1 357.546 2.544 20 30 FFEDMP CC[N@H+]1CCCN(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CC1 ZINC000328847170 511940268 /nfs/dbraw/zinc/94/02/68/511940268.db2.gz QTOBNCHKPLXDLH-OAHLLOKOSA-N 2 1 365.547 2.948 20 30 FFEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540451 513818484 /nfs/dbraw/zinc/81/84/84/513818484.db2.gz WWEACOMQLHZQEJ-GHTZIAJQSA-N 2 1 368.525 2.885 20 30 FFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000420389469 514124063 /nfs/dbraw/zinc/12/40/63/514124063.db2.gz YKESFYCKQHMYNF-FPOVZHCZSA-N 2 1 359.514 2.692 20 30 FFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000503183790 514947529 /nfs/dbraw/zinc/94/75/29/514947529.db2.gz WBXIHKUSYWFMKF-VQTJNVASSA-N 2 1 356.514 2.665 20 30 FFEDMP CN(CC#CCN(C)CC[C@H]1CCCC[N@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334212 /nfs/dbraw/zinc/33/42/12/515334212.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 3 1 362.606 2.602 20 30 FFEDMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473362330 515589807 /nfs/dbraw/zinc/58/98/07/515589807.db2.gz WNHPYBBLAAOQPD-HXUWFJFHSA-N 2 1 356.514 2.759 20 30 FFEDMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473362330 515589818 /nfs/dbraw/zinc/58/98/18/515589818.db2.gz WNHPYBBLAAOQPD-HXUWFJFHSA-N 2 1 356.514 2.759 20 30 FFEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000536932972 516986829 /nfs/dbraw/zinc/98/68/29/516986829.db2.gz DNVOKUDRAXPNFU-QZTJIDSGSA-N 2 1 357.498 2.648 20 30 FFEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000527236087 517582416 /nfs/dbraw/zinc/58/24/16/517582416.db2.gz IAQMEFJEPIWPPK-SFHVURJKSA-N 2 1 363.465 2.859 20 30 FFEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000584497275 518367747 /nfs/dbraw/zinc/36/77/47/518367747.db2.gz POESSKDLHYDTTP-KRWDZBQOSA-N 2 1 352.486 2.679 20 30 FFEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000568169818 518904484 /nfs/dbraw/zinc/90/44/84/518904484.db2.gz VBAOVUKQQLJTMN-INIZCTEOSA-N 2 1 351.458 2.578 20 30 FFEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000568169818 518904492 /nfs/dbraw/zinc/90/44/92/518904492.db2.gz VBAOVUKQQLJTMN-INIZCTEOSA-N 2 1 351.458 2.578 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)Cc3ccco3)CC2)CC1 ZINC000572132350 519460434 /nfs/dbraw/zinc/46/04/34/519460434.db2.gz BPQYVXRLPJCWPG-UHFFFAOYSA-N 2 1 372.513 2.718 20 30 FFEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)CC(C)(C)C)CC2)CC1 ZINC000566436931 519492969 /nfs/dbraw/zinc/49/29/69/519492969.db2.gz HJCUGANCEIWWEP-UHFFFAOYSA-N 2 1 362.562 2.971 20 30 FFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596449992 521077804 /nfs/dbraw/zinc/07/78/04/521077804.db2.gz QRIFUYCWMMCDEH-HNNXBMFYSA-N 2 1 362.522 2.508 20 30 FFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596449992 521077810 /nfs/dbraw/zinc/07/78/10/521077810.db2.gz QRIFUYCWMMCDEH-HNNXBMFYSA-N 2 1 362.522 2.508 20 30 FFEDMP C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302700 521136658 /nfs/dbraw/zinc/13/66/58/521136658.db2.gz JCZOHTIORUUIGO-SFTDATJTSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302700 521136666 /nfs/dbraw/zinc/13/66/66/521136666.db2.gz JCZOHTIORUUIGO-SFTDATJTSA-N 2 1 371.525 2.512 20 30 FFEDMP C[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302700 521136673 /nfs/dbraw/zinc/13/66/73/521136673.db2.gz JCZOHTIORUUIGO-SFTDATJTSA-N 2 1 371.525 2.512 20 30 FFEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597003911 521437620 /nfs/dbraw/zinc/43/76/20/521437620.db2.gz VDGNVIBQJCKCCT-OAQYLSRUSA-N 2 1 352.526 2.844 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597003911 521437632 /nfs/dbraw/zinc/43/76/32/521437632.db2.gz VDGNVIBQJCKCCT-OAQYLSRUSA-N 2 1 352.526 2.844 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594260912 521516740 /nfs/dbraw/zinc/51/67/40/521516740.db2.gz PNFXCZHGZZZZBK-NQIIRXRSSA-N 2 1 370.541 2.611 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594260911 521516804 /nfs/dbraw/zinc/51/68/04/521516804.db2.gz PNFXCZHGZZZZBK-GHTZIAJQSA-N 2 1 370.541 2.611 20 30 FFEDMP C[NH+]=C(NCc1c[nH]nc1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262457895 729666795 /nfs/dbraw/zinc/66/67/95/729666795.db2.gz VMPBTHQCAJUVSE-YOEHRIQHSA-N 2 1 360.531 2.528 20 30 FFEDMP C#Cc1cccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000726477088 734429133 /nfs/dbraw/zinc/42/91/33/734429133.db2.gz NDGFRRAHYCGJJB-UHFFFAOYSA-N 2 1 351.479 2.624 20 30 FFEDMP FC1(F)[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530570 738298451 /nfs/dbraw/zinc/29/84/51/738298451.db2.gz GZAXBXRLZFACEY-HLTSFMKQSA-N 2 1 352.269 2.699 20 30 FFEDMP FC1(F)[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923530570 738298454 /nfs/dbraw/zinc/29/84/54/738298454.db2.gz GZAXBXRLZFACEY-HLTSFMKQSA-N 2 1 352.269 2.699 20 30 FFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040208676 742997967 /nfs/dbraw/zinc/99/79/67/742997967.db2.gz AVXTUMUYMKSEQZ-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040208676 742997970 /nfs/dbraw/zinc/99/79/70/742997970.db2.gz AVXTUMUYMKSEQZ-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208676 742997976 /nfs/dbraw/zinc/99/79/76/742997976.db2.gz AVXTUMUYMKSEQZ-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208676 742997982 /nfs/dbraw/zinc/99/79/82/742997982.db2.gz AVXTUMUYMKSEQZ-SCTDSRPQSA-N 2 1 353.938 2.784 20 30 FFEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001275834198 1013057172 /nfs/dbraw/zinc/05/71/72/1013057172.db2.gz ZYQOIMSYDMLJGO-QFIPXVFZSA-N 2 1 353.510 2.895 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967525 971378997 /nfs/dbraw/zinc/37/89/97/971378997.db2.gz ZGTZPRKETOOVBJ-AQNXPRMDSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967525 971379002 /nfs/dbraw/zinc/37/90/02/971379002.db2.gz ZGTZPRKETOOVBJ-AQNXPRMDSA-N 2 1 359.558 2.997 20 30 FFEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967525 971379008 /nfs/dbraw/zinc/37/90/08/971379008.db2.gz ZGTZPRKETOOVBJ-AQNXPRMDSA-N 2 1 359.558 2.997 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001104306139 962893885 /nfs/dbraw/zinc/89/38/85/962893885.db2.gz MTYDNMNNYOHNRS-RLLQIKCJSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001104306139 962893892 /nfs/dbraw/zinc/89/38/92/962893892.db2.gz MTYDNMNNYOHNRS-RLLQIKCJSA-N 2 1 359.558 2.594 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCC=C)C1 ZINC001104306217 962894114 /nfs/dbraw/zinc/89/41/14/962894114.db2.gz QTOUDMOWVJFWNF-NJYVYQBISA-N 2 1 359.558 2.905 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCC=C)C1 ZINC001104306217 962894121 /nfs/dbraw/zinc/89/41/21/962894121.db2.gz QTOUDMOWVJFWNF-NJYVYQBISA-N 2 1 359.558 2.905 20 30 FFEDMP CC(C)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC001175601525 1013508330 /nfs/dbraw/zinc/50/83/30/1013508330.db2.gz NTAKLRBQMUSHNL-HXUWFJFHSA-N 2 1 359.514 2.598 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001087167929 964800733 /nfs/dbraw/zinc/80/07/33/964800733.db2.gz JNCPFYVJYGYBIG-SGLNWRHMSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2C#N)C1 ZINC001087212444 966578592 /nfs/dbraw/zinc/57/85/92/966578592.db2.gz BXHONFYOSYIXSA-LQWHRVPQSA-N 2 1 368.525 2.617 20 30 FFEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001112515757 967500623 /nfs/dbraw/zinc/50/06/23/967500623.db2.gz BKHOBKIRVQCDSN-VCOUNFBDSA-N 2 1 357.542 2.635 20 30 FFEDMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723022 967603011 /nfs/dbraw/zinc/60/30/11/967603011.db2.gz GIJJOYKSOGFGHA-QRVBRYPASA-N 2 1 360.498 2.990 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)Cc1cnn(C)c1 ZINC000262351384 967663968 /nfs/dbraw/zinc/66/39/68/967663968.db2.gz FEVNSCWCPKCLGN-FUHWJXTLSA-N 2 1 374.558 2.572 20 30 FFEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262355699 967734436 /nfs/dbraw/zinc/73/44/36/967734436.db2.gz FVNLOEZCDGRTNE-PKOFMYQESA-N 2 1 370.541 2.800 20 30 FFEDMP Cc1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000329739385 967988054 /nfs/dbraw/zinc/98/80/54/967988054.db2.gz NIZGARSYOXZVBB-RBUKOAKNSA-N 2 1 371.529 2.820 20 30 FFEDMP Cc1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(N2CCCC2)[nH+]1 ZINC000329739385 967988062 /nfs/dbraw/zinc/98/80/62/967988062.db2.gz NIZGARSYOXZVBB-RBUKOAKNSA-N 2 1 371.529 2.820 20 30 FFEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084706 972610831 /nfs/dbraw/zinc/61/08/31/972610831.db2.gz BELWFUUOWKZFAB-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]2C1 ZINC001088084706 972610835 /nfs/dbraw/zinc/61/08/35/972610835.db2.gz BELWFUUOWKZFAB-QRVBRYPASA-N 2 1 356.514 2.500 20 30 FFEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106853 972824148 /nfs/dbraw/zinc/82/41/48/972824148.db2.gz UQOXDJKDSLOWLX-LVCYWYKZSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106853 972824158 /nfs/dbraw/zinc/82/41/58/972824158.db2.gz UQOXDJKDSLOWLX-LVCYWYKZSA-N 2 1 365.537 2.945 20 30 FFEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106853 972824167 /nfs/dbraw/zinc/82/41/67/972824167.db2.gz UQOXDJKDSLOWLX-LVCYWYKZSA-N 2 1 365.537 2.945 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000303782296 974151372 /nfs/dbraw/zinc/15/13/72/974151372.db2.gz NCGZBTVJGXMBGJ-HXUWFJFHSA-N 3 1 357.546 2.561 20 30 FFEDMP C=CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000662675662 975814691 /nfs/dbraw/zinc/81/46/91/975814691.db2.gz PBIDYPYPXZVYDZ-SVMVAKDDSA-N 2 1 371.525 2.610 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087436362 977009017 /nfs/dbraw/zinc/00/90/17/977009017.db2.gz MUGAYZBRYDJVKX-NHCUHLMSSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001087437186 977061171 /nfs/dbraw/zinc/06/11/71/977061171.db2.gz FDOQNEVAZVDHCT-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087437186 977061186 /nfs/dbraw/zinc/06/11/86/977061186.db2.gz FDOQNEVAZVDHCT-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001087437186 977061194 /nfs/dbraw/zinc/06/11/94/977061194.db2.gz FDOQNEVAZVDHCT-CEWLAPEOSA-N 2 1 355.526 2.879 20 30 FFEDMP C#CCC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920211 979816925 /nfs/dbraw/zinc/81/69/25/979816925.db2.gz QSSPGJDGEJTXOW-BAGYTPMASA-N 2 1 367.537 2.843 20 30 FFEDMP C#CCC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029920211 979816929 /nfs/dbraw/zinc/81/69/29/979816929.db2.gz QSSPGJDGEJTXOW-BAGYTPMASA-N 2 1 367.537 2.843 20 30 FFEDMP C#CCC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029920211 979816935 /nfs/dbraw/zinc/81/69/35/979816935.db2.gz QSSPGJDGEJTXOW-BAGYTPMASA-N 2 1 367.537 2.843 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2ccccc2C#N)CC[N@H+]1C ZINC000968867121 1014604599 /nfs/dbraw/zinc/60/45/99/1014604599.db2.gz SDKISPROHBXNQX-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC000968867121 1014604604 /nfs/dbraw/zinc/60/46/04/1014604604.db2.gz SDKISPROHBXNQX-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccccc2C#N)CC[NH+]1C ZINC000968867121 1014604610 /nfs/dbraw/zinc/60/46/10/1014604610.db2.gz SDKISPROHBXNQX-DUXKGJEZSA-N 2 1 368.525 2.759 20 30 FFEDMP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137121624 1014606208 /nfs/dbraw/zinc/60/62/08/1014606208.db2.gz VVVAGOASDKZUPC-UHFFFAOYSA-N 2 1 358.530 2.829 20 30 FFEDMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088567310 981148630 /nfs/dbraw/zinc/14/86/30/981148630.db2.gz GTEJCFPZERKFJN-XLIONFOSSA-N 2 1 368.525 2.902 20 30 FFEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088621569 981962245 /nfs/dbraw/zinc/96/22/45/981962245.db2.gz JFGVMUXOIZIDDX-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088621569 981962246 /nfs/dbraw/zinc/96/22/46/981962246.db2.gz JFGVMUXOIZIDDX-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088621569 981962249 /nfs/dbraw/zinc/96/22/49/981962249.db2.gz JFGVMUXOIZIDDX-QMMLZNLJSA-N 2 1 368.525 2.900 20 30 FFEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001088631076 982045692 /nfs/dbraw/zinc/04/56/92/982045692.db2.gz PPJOGTYDSJOSTD-COPCDDAFSA-N 2 1 367.537 2.987 20 30 FFEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107552367 984681644 /nfs/dbraw/zinc/68/16/44/984681644.db2.gz LLFWOJMLIXWXEW-IFMALSPDSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107552367 984681650 /nfs/dbraw/zinc/68/16/50/984681650.db2.gz LLFWOJMLIXWXEW-IFMALSPDSA-N 2 1 355.526 2.708 20 30 FFEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCc3ccccc3)CCC[C@@H]12 ZINC001107552367 984681661 /nfs/dbraw/zinc/68/16/61/984681661.db2.gz LLFWOJMLIXWXEW-IFMALSPDSA-N 2 1 355.526 2.708 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609331 984799520 /nfs/dbraw/zinc/79/95/20/984799520.db2.gz NUIQOTDQJYOGQZ-TZIWHRDSSA-N 2 1 367.578 2.896 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000170906016 985171345 /nfs/dbraw/zinc/17/13/45/985171345.db2.gz LAWXNPYGTLPFKW-INIZCTEOSA-N 2 1 352.482 2.546 20 30 FFEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000170906016 985171353 /nfs/dbraw/zinc/17/13/53/985171353.db2.gz LAWXNPYGTLPFKW-INIZCTEOSA-N 2 1 352.482 2.546 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401521 986118779 /nfs/dbraw/zinc/11/87/79/986118779.db2.gz SZUUYEBIDAVXLI-XUVXKRRUSA-N 2 1 365.562 2.526 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001106266522 987791453 /nfs/dbraw/zinc/79/14/53/987791453.db2.gz OJCYXHFAPOIMIY-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001106266522 987791459 /nfs/dbraw/zinc/79/14/59/987791459.db2.gz OJCYXHFAPOIMIY-NRSPTQNISA-N 2 1 359.558 2.739 20 30 FFEDMP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(C#N)c1C ZINC000879249078 1015436942 /nfs/dbraw/zinc/43/69/42/1015436942.db2.gz DQJJMNVOZYOXHA-OAHLLOKOSA-N 2 1 358.486 2.903 20 30 FFEDMP C#CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000921162767 990992981 /nfs/dbraw/zinc/99/29/81/990992981.db2.gz XBGKOZSGBCUTAO-IBGZPJMESA-N 2 1 370.541 2.636 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254464 991043521 /nfs/dbraw/zinc/04/35/21/991043521.db2.gz XIQCVFXXCQUSCI-CEXWTWQISA-N 2 1 353.551 2.645 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212254464 991043530 /nfs/dbraw/zinc/04/35/30/991043530.db2.gz XIQCVFXXCQUSCI-CEXWTWQISA-N 2 1 353.551 2.645 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254464 991043534 /nfs/dbraw/zinc/04/35/34/991043534.db2.gz XIQCVFXXCQUSCI-CEXWTWQISA-N 2 1 353.551 2.645 20 30 FFEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923566992 991254118 /nfs/dbraw/zinc/25/41/18/991254118.db2.gz VREBVPDNAJHEKG-HXUWFJFHSA-N 2 1 353.510 2.503 20 30 FFEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923566992 991254126 /nfs/dbraw/zinc/25/41/26/991254126.db2.gz VREBVPDNAJHEKG-HXUWFJFHSA-N 2 1 353.510 2.503 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cccc(F)c1 ZINC001079211275 991878412 /nfs/dbraw/zinc/87/84/12/991878412.db2.gz ZMRMPGJVNCYXKE-XUVXKRRUSA-N 2 1 359.489 2.770 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)CC2(C)C)CC[N@H+]1C ZINC000940757319 992146596 /nfs/dbraw/zinc/14/65/96/992146596.db2.gz ZKJFTHWGDCMXKE-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)CC[NH+]1C ZINC000940757319 992146601 /nfs/dbraw/zinc/14/66/01/992146601.db2.gz ZKJFTHWGDCMXKE-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)CC2(C)C)CC[NH+]1C ZINC000940757319 992146604 /nfs/dbraw/zinc/14/66/04/992146604.db2.gz ZKJFTHWGDCMXKE-AHRSYUTCSA-N 2 1 368.525 2.615 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2C)CC1 ZINC001080998266 993549441 /nfs/dbraw/zinc/54/94/41/993549441.db2.gz WYNYGTMRNOBMAY-DENIHFKCSA-N 2 1 367.537 2.585 20 30 FFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001131597020 994445794 /nfs/dbraw/zinc/44/57/94/994445794.db2.gz GWSQYWZEZFJXMZ-QFUCXCTJSA-N 2 1 365.562 2.669 20 30 FFEDMP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040986 1015928487 /nfs/dbraw/zinc/92/84/87/1015928487.db2.gz CBVLCVQGWGBOND-PCCBWWKXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040986 1015928495 /nfs/dbraw/zinc/92/84/95/1015928495.db2.gz CBVLCVQGWGBOND-PCCBWWKXSA-N 2 1 355.526 2.836 20 30 FFEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001054040986 1015928500 /nfs/dbraw/zinc/92/85/00/1015928500.db2.gz CBVLCVQGWGBOND-PCCBWWKXSA-N 2 1 355.526 2.836 20 30 FFEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001086700862 995328804 /nfs/dbraw/zinc/32/88/04/995328804.db2.gz PYVYGOLTUMOKKO-JSXRDJHFSA-N 2 1 368.525 2.663 20 30 FFEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090872299 997540436 /nfs/dbraw/zinc/54/04/36/997540436.db2.gz IARAOCFPWJMLFR-VQTJNVASSA-N 2 1 368.481 2.511 20 30 FFEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001084997556 998620477 /nfs/dbraw/zinc/62/04/77/998620477.db2.gz HXFRKKIPQWUBOA-CTNGQTDRSA-N 2 1 355.526 2.903 20 30 FFEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001144572442 998661224 /nfs/dbraw/zinc/66/12/24/998661224.db2.gz ZENYJQOBMBILBT-FGZHOGPDSA-N 2 1 365.521 2.575 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CC ZINC001085229626 999212937 /nfs/dbraw/zinc/21/29/37/999212937.db2.gz BQOAAFBWQJAYFQ-VSKRKVRLSA-N 2 1 367.537 2.864 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CC ZINC001085229626 999212957 /nfs/dbraw/zinc/21/29/57/999212957.db2.gz BQOAAFBWQJAYFQ-VSKRKVRLSA-N 2 1 367.537 2.864 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001085245226 999243839 /nfs/dbraw/zinc/24/38/39/999243839.db2.gz POWLMKQWRSQYBL-AQNXPRMDSA-N 2 1 354.498 2.560 20 30 FFEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001085245240 999244076 /nfs/dbraw/zinc/24/40/76/999244076.db2.gz PYWKJRXJEYKPPB-KZNAEPCWSA-N 2 1 360.527 2.621 20 30 FFEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085245209 999244467 /nfs/dbraw/zinc/24/44/67/999244467.db2.gz PASAQZUYUVZXQV-AQNXPRMDSA-N 2 1 354.498 2.560 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000737952741 999612819 /nfs/dbraw/zinc/61/28/19/999612819.db2.gz RRJRAVCYVPUBBA-NRSPTQNISA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000737952741 999612822 /nfs/dbraw/zinc/61/28/22/999612822.db2.gz RRJRAVCYVPUBBA-NRSPTQNISA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000737952741 999612824 /nfs/dbraw/zinc/61/28/24/999612824.db2.gz RRJRAVCYVPUBBA-NRSPTQNISA-N 2 1 353.510 2.596 20 30 FFEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000737952741 999612826 /nfs/dbraw/zinc/61/28/26/999612826.db2.gz RRJRAVCYVPUBBA-NRSPTQNISA-N 2 1 353.510 2.596 20 30 FFEDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211483 1000199233 /nfs/dbraw/zinc/19/92/33/1000199233.db2.gz DPJJSRBSPIXIOR-SIKLNZKXSA-N 2 1 371.525 2.550 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890180 1001122515 /nfs/dbraw/zinc/12/25/15/1001122515.db2.gz KTVOHTNNHPISPR-LDTOTXGLSA-N 2 1 365.481 2.957 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890180 1001122519 /nfs/dbraw/zinc/12/25/19/1001122519.db2.gz KTVOHTNNHPISPR-LDTOTXGLSA-N 2 1 365.481 2.957 20 30 FFEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(CC)CC)C[C@@]3(C)C2)CC1 ZINC001092299883 1002628481 /nfs/dbraw/zinc/62/84/81/1002628481.db2.gz KROHKHYAVOPJLT-IRLDBZIGSA-N 2 1 359.558 2.548 20 30 FFEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001086609421 1003191660 /nfs/dbraw/zinc/19/16/60/1003191660.db2.gz FUTGQMWUTUKRDR-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001086609421 1003191671 /nfs/dbraw/zinc/19/16/71/1003191671.db2.gz FUTGQMWUTUKRDR-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001086609421 1003191676 /nfs/dbraw/zinc/19/16/76/1003191676.db2.gz FUTGQMWUTUKRDR-VQTJNVASSA-N 2 1 355.526 2.879 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613244 1003363923 /nfs/dbraw/zinc/36/39/23/1003363923.db2.gz JWWBHGBEMAKCKP-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001086613244 1003363930 /nfs/dbraw/zinc/36/39/30/1003363930.db2.gz JWWBHGBEMAKCKP-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086613244 1003363937 /nfs/dbraw/zinc/36/39/37/1003363937.db2.gz JWWBHGBEMAKCKP-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086613244 1003363951 /nfs/dbraw/zinc/36/39/51/1003363951.db2.gz JWWBHGBEMAKCKP-BDTNDASRSA-N 2 1 367.537 2.857 20 30 FFEDMP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001086613535 1003365425 /nfs/dbraw/zinc/36/54/25/1003365425.db2.gz YSBPQBKWFFWPLA-BAGYTPMASA-N 2 1 367.537 2.858 20 30 FFEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001086613535 1003365432 /nfs/dbraw/zinc/36/54/32/1003365432.db2.gz YSBPQBKWFFWPLA-BAGYTPMASA-N 2 1 367.537 2.858 20 30 FFEDMP CCCCCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001201814096 1005270745 /nfs/dbraw/zinc/27/07/45/1005270745.db2.gz LXSLXXASIQDRJE-UHFFFAOYSA-N 2 1 350.507 2.685 20 30 FFEDMP CCCCCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001201814096 1005270751 /nfs/dbraw/zinc/27/07/51/1005270751.db2.gz LXSLXXASIQDRJE-UHFFFAOYSA-N 2 1 350.507 2.685 20 30 FFEDMP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926304 1006783718 /nfs/dbraw/zinc/78/37/18/1006783718.db2.gz NFIKZIZCITVXCN-XUVXKRRUSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926304 1006783727 /nfs/dbraw/zinc/78/37/27/1006783727.db2.gz NFIKZIZCITVXCN-XUVXKRRUSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926304 1006783735 /nfs/dbraw/zinc/78/37/35/1006783735.db2.gz NFIKZIZCITVXCN-XUVXKRRUSA-N 2 1 365.562 2.599 20 30 FFEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926304 1006783742 /nfs/dbraw/zinc/78/37/42/1006783742.db2.gz NFIKZIZCITVXCN-XUVXKRRUSA-N 2 1 365.562 2.599 20 30 FFEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110684814 1006811558 /nfs/dbraw/zinc/81/15/58/1006811558.db2.gz ZOAUXWDVAWUWFB-YSFYHYPLSA-N 2 1 365.521 2.634 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001110684814 1006811572 /nfs/dbraw/zinc/81/15/72/1006811572.db2.gz ZOAUXWDVAWUWFB-YSFYHYPLSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110684814 1006811590 /nfs/dbraw/zinc/81/15/90/1006811590.db2.gz ZOAUXWDVAWUWFB-YSFYHYPLSA-N 2 1 365.521 2.634 20 30 FFEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110684814 1006811611 /nfs/dbraw/zinc/81/16/11/1006811611.db2.gz ZOAUXWDVAWUWFB-YSFYHYPLSA-N 2 1 365.521 2.634 20 30 FFEDMP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863277 1007559059 /nfs/dbraw/zinc/55/90/59/1007559059.db2.gz VBJQJJIGWFYVTP-QKNQBKEWSA-N 2 1 355.526 2.643 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864176 1009494206 /nfs/dbraw/zinc/49/42/06/1009494206.db2.gz FPNMRSPQQFWZQW-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864176 1009494212 /nfs/dbraw/zinc/49/42/12/1009494212.db2.gz FPNMRSPQQFWZQW-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134864176 1009494221 /nfs/dbraw/zinc/49/42/21/1009494221.db2.gz FPNMRSPQQFWZQW-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864176 1009494229 /nfs/dbraw/zinc/49/42/29/1009494229.db2.gz FPNMRSPQQFWZQW-XLIONFOSSA-N 2 1 352.482 2.836 20 30 FFEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969757 1009527028 /nfs/dbraw/zinc/52/70/28/1009527028.db2.gz SULOSBIVOSKBIE-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC001092969757 1009527039 /nfs/dbraw/zinc/52/70/39/1009527039.db2.gz SULOSBIVOSKBIE-IAGOWNOFSA-N 2 1 360.502 2.534 20 30 FFEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001094241417 1010984122 /nfs/dbraw/zinc/98/41/22/1010984122.db2.gz BLBYACFUWPTZDI-DUXKGJEZSA-N 2 1 368.525 2.617 20 30 FFEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413082 1011096886 /nfs/dbraw/zinc/09/68/86/1011096886.db2.gz VTMKGXBWNWFQHG-YQVWRLOYSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413082 1011096892 /nfs/dbraw/zinc/09/68/92/1011096892.db2.gz VTMKGXBWNWFQHG-YQVWRLOYSA-N 2 1 353.938 2.973 20 30 FFEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413082 1011096897 /nfs/dbraw/zinc/09/68/97/1011096897.db2.gz VTMKGXBWNWFQHG-YQVWRLOYSA-N 2 1 353.938 2.973 20 30 FFEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001172480289 1011812506 /nfs/dbraw/zinc/81/25/06/1011812506.db2.gz OALAEOGHDDBMMP-ZACQAIPSSA-N 2 1 350.507 2.600 20 30 FFEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001172480289 1011812523 /nfs/dbraw/zinc/81/25/23/1011812523.db2.gz OALAEOGHDDBMMP-ZACQAIPSSA-N 2 1 350.507 2.600 20 30 FFEDMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971056 1012138960 /nfs/dbraw/zinc/13/89/60/1012138960.db2.gz LNPSYQKGZVQFPX-IRXDYDNUSA-N 2 1 352.523 2.990 20 30 FFEDMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173332977 1012445312 /nfs/dbraw/zinc/44/53/12/1012445312.db2.gz ITZWBYUIBHCMKK-OCBVQYKSSA-N 2 1 370.545 2.924 20 30 FFEDMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173332977 1012445322 /nfs/dbraw/zinc/44/53/22/1012445322.db2.gz ITZWBYUIBHCMKK-OCBVQYKSSA-N 2 1 370.545 2.924 20 30 FFEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173332977 1012445329 /nfs/dbraw/zinc/44/53/29/1012445329.db2.gz ITZWBYUIBHCMKK-OCBVQYKSSA-N 2 1 370.545 2.924 20 30 FFEDMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173332977 1012445335 /nfs/dbraw/zinc/44/53/35/1012445335.db2.gz ITZWBYUIBHCMKK-OCBVQYKSSA-N 2 1 370.545 2.924 20 30 FFEDMP C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001275556835 1012613066 /nfs/dbraw/zinc/61/30/66/1012613066.db2.gz PBANDAVDHDIXKY-JOCHJYFZSA-N 2 1 353.510 2.895 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC(F)(F)F ZINC000304945351 1012958496 /nfs/dbraw/zinc/95/84/96/1012958496.db2.gz PIAWVWANFTXIBN-OAHLLOKOSA-N 2 1 372.435 2.825 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC(F)(F)F ZINC000304945350 1012959016 /nfs/dbraw/zinc/95/90/16/1012959016.db2.gz PIAWVWANFTXIBN-HNNXBMFYSA-N 2 1 372.435 2.825 20 30 FFEDMP N#Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000926068880 1017953660 /nfs/dbraw/zinc/95/36/60/1017953660.db2.gz GFPQPYVUNPWNFC-IYBDPMFKSA-N 2 1 373.888 2.644 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931441782 1020468530 /nfs/dbraw/zinc/46/85/30/1020468530.db2.gz XWPNUNDCPISCNJ-SLFFLAALSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931441782 1020468534 /nfs/dbraw/zinc/46/85/34/1020468534.db2.gz XWPNUNDCPISCNJ-SLFFLAALSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000931441782 1020468554 /nfs/dbraw/zinc/46/85/54/1020468554.db2.gz XWPNUNDCPISCNJ-SLFFLAALSA-N 2 1 368.525 2.822 20 30 FFEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000931441782 1020468557 /nfs/dbraw/zinc/46/85/57/1020468557.db2.gz XWPNUNDCPISCNJ-SLFFLAALSA-N 2 1 368.525 2.822 20 30 FFEDMP CCO[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OCC)C3)c2)C1 ZINC000932971437 1020934466 /nfs/dbraw/zinc/93/44/66/1020934466.db2.gz JHROQAAFTMYWNL-SFTDATJTSA-N 2 1 357.498 2.780 20 30 FFEDMP C[N@H+]1C[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@]2(C)C1 ZINC000933747372 1021083198 /nfs/dbraw/zinc/08/31/98/1021083198.db2.gz VSLIXQCZCVSFBR-VLIAUNLRSA-N 2 1 372.538 2.711 20 30 FFEDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@]2(C)C1 ZINC000933747372 1021083204 /nfs/dbraw/zinc/08/32/04/1021083204.db2.gz VSLIXQCZCVSFBR-VLIAUNLRSA-N 2 1 372.538 2.711 20 30 FFEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@]2(C)C1 ZINC000933747372 1021083222 /nfs/dbraw/zinc/08/32/22/1021083222.db2.gz VSLIXQCZCVSFBR-VLIAUNLRSA-N 2 1 372.538 2.711 20 30 FFEDMP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)c1 ZINC001111459289 1021092757 /nfs/dbraw/zinc/09/27/57/1021092757.db2.gz UHQDHBCKTHGKIG-NJYVYQBISA-N 2 1 366.509 2.656 20 30 FFEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933843906 1021101174 /nfs/dbraw/zinc/10/11/74/1021101174.db2.gz HNTDGDYLRMDUAV-UHFFFAOYSA-N 2 1 369.513 2.925 20 30 FFEDMP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990851 1021543376 /nfs/dbraw/zinc/54/33/76/1021543376.db2.gz INPVHWKIEGWVBR-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098990851 1021543386 /nfs/dbraw/zinc/54/33/86/1021543386.db2.gz INPVHWKIEGWVBR-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990851 1021543395 /nfs/dbraw/zinc/54/33/95/1021543395.db2.gz INPVHWKIEGWVBR-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098990851 1021543404 /nfs/dbraw/zinc/54/34/04/1021543404.db2.gz INPVHWKIEGWVBR-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098990851 1021543411 /nfs/dbraw/zinc/54/34/11/1021543411.db2.gz INPVHWKIEGWVBR-LNLFQRSKSA-N 2 1 353.938 2.832 20 30 FFEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099029564 1021629376 /nfs/dbraw/zinc/62/93/76/1021629376.db2.gz FCSXVYGJCVAPNX-VDGAXYAQSA-N 2 1 351.510 2.746 20 30 FFEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029564 1021629384 /nfs/dbraw/zinc/62/93/84/1021629384.db2.gz FCSXVYGJCVAPNX-VDGAXYAQSA-N 2 1 351.510 2.746 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029564 1021629391 /nfs/dbraw/zinc/62/93/91/1021629391.db2.gz FCSXVYGJCVAPNX-VDGAXYAQSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099030010 1021632794 /nfs/dbraw/zinc/63/27/94/1021632794.db2.gz SRSVDWBKVRWCFY-VDGAXYAQSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001099030010 1021632801 /nfs/dbraw/zinc/63/28/01/1021632801.db2.gz SRSVDWBKVRWCFY-VDGAXYAQSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099030010 1021632808 /nfs/dbraw/zinc/63/28/08/1021632808.db2.gz SRSVDWBKVRWCFY-VDGAXYAQSA-N 2 1 351.510 2.746 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265737 1022191381 /nfs/dbraw/zinc/19/13/81/1022191381.db2.gz PHGBTIIQZBEHFJ-MGPQQGTHSA-N 2 1 367.843 2.592 20 30 FFEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265737 1022191388 /nfs/dbraw/zinc/19/13/88/1022191388.db2.gz PHGBTIIQZBEHFJ-MGPQQGTHSA-N 2 1 367.843 2.592 20 30 FFEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C(F)(F)F ZINC001099331391 1022309066 /nfs/dbraw/zinc/30/90/66/1022309066.db2.gz GVRZPLOPCDQJSU-BZUAXINKSA-N 2 1 361.452 2.806 20 30 FFEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017977632 1022328209 /nfs/dbraw/zinc/32/82/09/1022328209.db2.gz GEUQOYWJURRDFH-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017977632 1022328225 /nfs/dbraw/zinc/32/82/25/1022328225.db2.gz GEUQOYWJURRDFH-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001017977632 1022328241 /nfs/dbraw/zinc/32/82/41/1022328241.db2.gz GEUQOYWJURRDFH-MHTWAQMVSA-N 2 1 353.510 2.583 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[NH+](C)C2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001122543897 1023330936 /nfs/dbraw/zinc/33/09/36/1023330936.db2.gz PIPHWPSIUXEMQW-MOPGFXCFSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001122543897 1023330942 /nfs/dbraw/zinc/33/09/42/1023330942.db2.gz PIPHWPSIUXEMQW-MOPGFXCFSA-N 2 1 374.577 2.832 20 30 FFEDMP C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001122543897 1023330948 /nfs/dbraw/zinc/33/09/48/1023330948.db2.gz PIPHWPSIUXEMQW-MOPGFXCFSA-N 2 1 374.577 2.832 20 30 FFEDMP C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001121619658 1023885442 /nfs/dbraw/zinc/88/54/42/1023885442.db2.gz AJHSQLVGSBEZRV-UHFFFAOYSA-N 2 1 374.577 2.830 20 30 FFEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432202 1024727142 /nfs/dbraw/zinc/72/71/42/1024727142.db2.gz HGUAUTNWTZZCJS-FVJLSDCUSA-N 2 1 356.514 2.896 20 30 FFEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432202 1024727154 /nfs/dbraw/zinc/72/71/54/1024727154.db2.gz HGUAUTNWTZZCJS-FVJLSDCUSA-N 2 1 356.514 2.896 20 30 FFEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273814 1025680745 /nfs/dbraw/zinc/68/07/45/1025680745.db2.gz QWCLICVSSGMNQS-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273814 1025680753 /nfs/dbraw/zinc/68/07/53/1025680753.db2.gz QWCLICVSSGMNQS-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273814 1025680759 /nfs/dbraw/zinc/68/07/59/1025680759.db2.gz QWCLICVSSGMNQS-VAMGGRTRSA-N 2 1 365.562 2.526 20 30 FFEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001102504575 1026154240 /nfs/dbraw/zinc/15/42/40/1026154240.db2.gz URDYJBXKAAQEOD-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504575 1026154250 /nfs/dbraw/zinc/15/42/50/1026154250.db2.gz URDYJBXKAAQEOD-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504575 1026154256 /nfs/dbraw/zinc/15/42/56/1026154256.db2.gz URDYJBXKAAQEOD-AQNXPRMDSA-N 2 1 365.562 2.528 20 30 FFEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000838622664 1026443615 /nfs/dbraw/zinc/44/36/15/1026443615.db2.gz IXQQEPHBIVRWFB-TZIWHRDSSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000838622664 1026443620 /nfs/dbraw/zinc/44/36/20/1026443620.db2.gz IXQQEPHBIVRWFB-TZIWHRDSSA-N 2 1 370.541 2.636 20 30 FFEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000838622664 1026443627 /nfs/dbraw/zinc/44/36/27/1026443627.db2.gz IXQQEPHBIVRWFB-TZIWHRDSSA-N 2 1 370.541 2.636 20 30 FFEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC000639759615 1026459257 /nfs/dbraw/zinc/45/92/57/1026459257.db2.gz DSSFAELFUSDNTA-LJQANCHMSA-N 2 1 374.525 2.581 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)CC[NH+]1C ZINC001103005017 1026870699 /nfs/dbraw/zinc/87/06/99/1026870699.db2.gz LFZKFHYGQOLQBR-YKTARERQSA-N 2 1 374.554 2.534 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)CC[N@@H+]1C ZINC001103005017 1026870707 /nfs/dbraw/zinc/87/07/07/1026870707.db2.gz LFZKFHYGQOLQBR-YKTARERQSA-N 2 1 374.554 2.534 20 30 FFEDMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2C)CC[N@H+]1C ZINC001103005017 1026870721 /nfs/dbraw/zinc/87/07/21/1026870721.db2.gz LFZKFHYGQOLQBR-YKTARERQSA-N 2 1 374.554 2.534 20 30 FFEDMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103433777 1027472861 /nfs/dbraw/zinc/47/28/61/1027472861.db2.gz LINPRJHXVGYBNY-QWFCFKBJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001103433777 1027472869 /nfs/dbraw/zinc/47/28/69/1027472869.db2.gz LINPRJHXVGYBNY-QWFCFKBJSA-N 2 1 368.525 2.617 20 30 FFEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001103433777 1027472879 /nfs/dbraw/zinc/47/28/79/1027472879.db2.gz LINPRJHXVGYBNY-QWFCFKBJSA-N 2 1 368.525 2.617 20 30 FFEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001103437169 1027482188 /nfs/dbraw/zinc/48/21/88/1027482188.db2.gz MYLMPEWSSGADPF-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001103437169 1027482193 /nfs/dbraw/zinc/48/21/93/1027482193.db2.gz MYLMPEWSSGADPF-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001103437169 1027482198 /nfs/dbraw/zinc/48/21/98/1027482198.db2.gz MYLMPEWSSGADPF-HLIPFELVSA-N 2 1 353.526 2.849 20 30 FFEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598394 1027755614 /nfs/dbraw/zinc/75/56/14/1027755614.db2.gz KBKUBRMCBTVBFZ-CRAIPNDOSA-N 2 1 355.954 2.934 20 30 FFEDMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103662864 1027919772 /nfs/dbraw/zinc/91/97/72/1027919772.db2.gz XLUMRQCKEMYUDK-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103662864 1027919774 /nfs/dbraw/zinc/91/97/74/1027919774.db2.gz XLUMRQCKEMYUDK-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103662864 1027919779 /nfs/dbraw/zinc/91/97/79/1027919779.db2.gz XLUMRQCKEMYUDK-WIYYLYMNSA-N 2 1 370.541 2.864 20 30 FFEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001205002082 1031484376 /nfs/dbraw/zinc/48/43/76/1031484376.db2.gz YYWBHQVGQOCXAN-NRFANRHFSA-N 2 1 355.482 2.900 20 30 FFEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412601 1031724386 /nfs/dbraw/zinc/72/43/86/1031724386.db2.gz YYUNBTVCANOEKF-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cccc(F)c1 ZINC001205458379 1031764170 /nfs/dbraw/zinc/76/41/70/1031764170.db2.gz IIMXKWRTUUDXTI-PWRODBHTSA-N 2 1 371.500 2.607 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001220597565 1034281133 /nfs/dbraw/zinc/28/11/33/1034281133.db2.gz DRYKAZKDSYVZQV-IPMKNSEASA-N 2 1 350.551 2.809 20 30 FFEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC001226890016 1034873520 /nfs/dbraw/zinc/87/35/20/1034873520.db2.gz FPLVAQAAOKSCFL-NJDAHSKKSA-N 2 1 368.525 2.950 20 30 FFEDMP C=CCn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cn1 ZINC001139769577 1035225395 /nfs/dbraw/zinc/22/53/95/1035225395.db2.gz JVKVUXCICAVFTN-UHFFFAOYSA-N 2 1 372.538 2.998 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228168085 1035971971 /nfs/dbraw/zinc/97/19/71/1035971971.db2.gz VVCNTMDTLLZGTD-VAMGGRTRSA-N 2 1 365.562 2.859 20 30 FFEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168085 1035971976 /nfs/dbraw/zinc/97/19/76/1035971976.db2.gz VVCNTMDTLLZGTD-VAMGGRTRSA-N 2 1 365.562 2.859 20 30 FFEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001277734325 1036154885 /nfs/dbraw/zinc/15/48/85/1036154885.db2.gz JBYWCBYMUADWLT-VAMGGRTRSA-N 2 1 367.578 2.725 20 30 FFEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235994389 1037880489 /nfs/dbraw/zinc/88/04/89/1037880489.db2.gz VUIHIJPNPHYKHQ-QIDMFYOTSA-N 2 1 362.477 2.732 20 30 FFEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)s1 ZINC001278925866 1038465408 /nfs/dbraw/zinc/46/54/08/1038465408.db2.gz QYUSDKVLKUAJGP-UHFFFAOYSA-N 2 1 355.511 2.804 20 30 FFEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3Cl)C[C@H]2CC1 ZINC001278611877 1038789595 /nfs/dbraw/zinc/78/95/95/1038789595.db2.gz QSLFUOANNSAPHG-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@H]2CC1 ZINC001278611877 1038789600 /nfs/dbraw/zinc/78/96/00/1038789600.db2.gz QSLFUOANNSAPHG-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]2CC1 ZINC001278611877 1038789610 /nfs/dbraw/zinc/78/96/10/1038789610.db2.gz QSLFUOANNSAPHG-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@H]2CC1 ZINC001278611877 1038789626 /nfs/dbraw/zinc/78/96/26/1038789626.db2.gz QSLFUOANNSAPHG-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]2CC1 ZINC001278611877 1038789640 /nfs/dbraw/zinc/78/96/40/1038789640.db2.gz QSLFUOANNSAPHG-HDICACEKSA-N 2 1 360.933 2.917 20 30 FFEDMP N#Cc1cnnc(-c2ccccc2)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263075 1039457180 /nfs/dbraw/zinc/45/71/80/1039457180.db2.gz QOYWTHZNZCJNNO-UHFFFAOYSA-N 2 1 357.421 2.563 20 30 FFEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429797 1040760794 /nfs/dbraw/zinc/76/07/94/1040760794.db2.gz PVWCPFSHRASWAY-UHFFFAOYSA-N 2 1 353.514 2.889 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001263989576 1042567618 /nfs/dbraw/zinc/56/76/18/1042567618.db2.gz BHQYAGYFUBYCJX-JTDSTZFVSA-N 2 1 359.518 2.583 20 30 FFEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001263989576 1042567620 /nfs/dbraw/zinc/56/76/20/1042567620.db2.gz BHQYAGYFUBYCJX-JTDSTZFVSA-N 2 1 359.518 2.583 20 30 FFEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001264175332 1042653388 /nfs/dbraw/zinc/65/33/88/1042653388.db2.gz GTKKTUUCPHHPNF-APWZRJJASA-N 2 1 361.917 2.611 20 30 FFEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001264175332 1042653393 /nfs/dbraw/zinc/65/33/93/1042653393.db2.gz GTKKTUUCPHHPNF-APWZRJJASA-N 2 1 361.917 2.611 20 30 FFEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001264175332 1042653395 /nfs/dbraw/zinc/65/33/95/1042653395.db2.gz GTKKTUUCPHHPNF-APWZRJJASA-N 2 1 361.917 2.611 20 30 FFEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001264175332 1042653398 /nfs/dbraw/zinc/65/33/98/1042653398.db2.gz GTKKTUUCPHHPNF-APWZRJJASA-N 2 1 361.917 2.611 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001264623598 1042755292 /nfs/dbraw/zinc/75/52/92/1042755292.db2.gz GXPQYHQAVITREY-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001264623598 1042755294 /nfs/dbraw/zinc/75/52/94/1042755294.db2.gz GXPQYHQAVITREY-VQTJNVASSA-N 2 1 356.514 2.759 20 30 FFEDMP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccon4)CC3)C2)cc1C#N ZINC001279286022 1042983393 /nfs/dbraw/zinc/98/33/93/1042983393.db2.gz VKTATUHVRJKARV-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccon4)CC3)C2)cc1C#N ZINC001279286022 1042983395 /nfs/dbraw/zinc/98/33/95/1042983395.db2.gz VKTATUHVRJKARV-UHFFFAOYSA-N 2 1 353.470 2.763 20 30 FFEDMP C=C(C)COc1ccccc1C[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001237428687 1043153302 /nfs/dbraw/zinc/15/33/02/1043153302.db2.gz CCBZTTIFSFSKMQ-GOSISDBHSA-N 2 1 358.482 2.616 20 30 FFEDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001278127355 1043295161 /nfs/dbraw/zinc/29/51/61/1043295161.db2.gz SPLHBLTZEWVURO-JOCHJYFZSA-N 2 1 354.542 2.840 20 30 FFEDMP C=CCCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001279832600 1043738166 /nfs/dbraw/zinc/73/81/66/1043738166.db2.gz QVUZAAYTZYDOBV-IBGZPJMESA-N 2 1 363.546 2.567 20 30 FFEDMP CCCCCCC[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279865282 1043796207 /nfs/dbraw/zinc/79/62/07/1043796207.db2.gz VFLMKZNTQANWTN-HOJAQTOUSA-N 2 1 365.562 2.647 20 30 FFEDMP CCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279864877 1043796426 /nfs/dbraw/zinc/79/64/26/1043796426.db2.gz KIHQELLOSGOKMY-XLIONFOSSA-N 2 1 361.534 2.818 20 30 FFEDMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001278372328 1045025351 /nfs/dbraw/zinc/02/53/51/1045025351.db2.gz SWZFIILRWFXXOA-UHFFFAOYSA-N 2 1 353.495 2.816 20 30 FFEDMP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332708288 1048518742 /nfs/dbraw/zinc/51/87/42/1048518742.db2.gz XGAQUIBJJDDEIG-YLJYHZDGSA-N 2 1 356.514 2.567 20 30 FFEDMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001332708288 1048518750 /nfs/dbraw/zinc/51/87/50/1048518750.db2.gz XGAQUIBJJDDEIG-YLJYHZDGSA-N 2 1 356.514 2.567 20 30 FFEDMP CC(C)N(CC[NH+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001332708288 1048518763 /nfs/dbraw/zinc/51/87/63/1048518763.db2.gz XGAQUIBJJDDEIG-YLJYHZDGSA-N 2 1 356.514 2.567 20 30 FFEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001330588218 1049218135 /nfs/dbraw/zinc/21/81/35/1049218135.db2.gz KFAGWIPKXMMSFY-NRFANRHFSA-N 2 1 360.461 2.980 20 30 FFEDMP C=CCn1c([C@H]2CCC[NH+](C)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001342020261 1050618315 /nfs/dbraw/zinc/61/83/15/1050618315.db2.gz NSGBMSHTJVFONH-IBGZPJMESA-N 2 1 374.577 2.830 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001342020261 1050618319 /nfs/dbraw/zinc/61/83/19/1050618319.db2.gz NSGBMSHTJVFONH-IBGZPJMESA-N 2 1 374.577 2.830 20 30 FFEDMP C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001342020261 1050618326 /nfs/dbraw/zinc/61/83/26/1050618326.db2.gz NSGBMSHTJVFONH-IBGZPJMESA-N 2 1 374.577 2.830 20 30 FFEDMP C#Cc1cccc(N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000847436561 1055773515 /nfs/dbraw/zinc/77/35/15/1055773515.db2.gz PHTDJLFWOZSZPE-UHFFFAOYSA-N 2 1 353.510 2.827 20 30 FFEDMP C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001515041575 1059253800 /nfs/dbraw/zinc/25/38/00/1059253800.db2.gz AUVTZKJAKIAOOV-UHFFFAOYSA-N 2 1 360.550 2.584 20 30 FFEDMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966811 1079289789 /nfs/dbraw/zinc/28/97/89/1079289789.db2.gz UOBYQOHLQBQDJB-DUXKGJEZSA-N 2 1 368.525 2.569 20 30 FFEDMP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001565987764 1076832225 /nfs/dbraw/zinc/83/22/25/1076832225.db2.gz DEZCCWFBGCFTNC-VAMGGRTRSA-N 2 1 365.562 2.528 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+](CC)CC ZINC001566103279 1076907522 /nfs/dbraw/zinc/90/75/22/1076907522.db2.gz DIZPYPBRRWEMFL-UXPWSPDFSA-N 2 1 356.514 2.758 20 30 FFEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C)[NH+](CC)CC ZINC001566103279 1076907527 /nfs/dbraw/zinc/90/75/27/1076907527.db2.gz DIZPYPBRRWEMFL-UXPWSPDFSA-N 2 1 356.514 2.758 20 30 FFEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566756019 1076980334 /nfs/dbraw/zinc/98/03/34/1076980334.db2.gz ZQVSOPZINNZKED-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001566756019 1076980337 /nfs/dbraw/zinc/98/03/37/1076980337.db2.gz ZQVSOPZINNZKED-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001566756019 1076980338 /nfs/dbraw/zinc/98/03/38/1076980338.db2.gz ZQVSOPZINNZKED-MBDNFAEBSA-N 2 1 367.537 2.973 20 30 FFEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001566787145 1076982675 /nfs/dbraw/zinc/98/26/75/1076982675.db2.gz RLFSFRHOYWWROJ-NJDAHSKKSA-N 2 1 355.526 2.911 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000369324103 512352209 /nfs/dbraw/zinc/35/22/09/512352209.db2.gz SDVKYADKAWZDQL-MOPGFXCFSA-N 2 1 362.562 2.933 20 30 FFEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N(C)CCC#N ZINC000112528161 508193767 /nfs/dbraw/zinc/19/37/67/508193767.db2.gz PYOSLDZWGHKZKF-MSOLQXFVSA-N 2 1 356.514 2.769 20 30 FFEDMP C=CCCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000076735250 508249302 /nfs/dbraw/zinc/24/93/02/508249302.db2.gz JMZJXCSEJAVXLQ-UHFFFAOYSA-N 2 1 359.514 2.628 20 30 FFEDMP C=CCCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000076735250 508249305 /nfs/dbraw/zinc/24/93/05/508249305.db2.gz JMZJXCSEJAVXLQ-UHFFFAOYSA-N 2 1 359.514 2.628 20 30 FFEDMP C=CCCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000076735250 508249306 /nfs/dbraw/zinc/24/93/06/508249306.db2.gz JMZJXCSEJAVXLQ-UHFFFAOYSA-N 2 1 359.514 2.628 20 30 FFEDMP C=CCCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000076735250 508249309 /nfs/dbraw/zinc/24/93/09/508249309.db2.gz JMZJXCSEJAVXLQ-UHFFFAOYSA-N 2 1 359.514 2.628 20 30 FFEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000106257451 508398535 /nfs/dbraw/zinc/39/85/35/508398535.db2.gz PVUQKJMUCPMWDJ-SFHVURJKSA-N 2 1 370.541 2.773 20 30 FFEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000136898734 508723664 /nfs/dbraw/zinc/72/36/64/508723664.db2.gz LQVNYKREKNNFFW-HSALFYBXSA-N 2 1 362.562 2.811 20 30 FFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000375614014 512421240 /nfs/dbraw/zinc/42/12/40/512421240.db2.gz PYSIMFFPCUZRPS-QFIPXVFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[N@H+](CCCC1(C#N)CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375614014 512421244 /nfs/dbraw/zinc/42/12/44/512421244.db2.gz PYSIMFFPCUZRPS-QFIPXVFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375614014 512421250 /nfs/dbraw/zinc/42/12/50/512421250.db2.gz PYSIMFFPCUZRPS-QFIPXVFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375614014 512421253 /nfs/dbraw/zinc/42/12/53/512421253.db2.gz PYSIMFFPCUZRPS-QFIPXVFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375614014 512421261 /nfs/dbraw/zinc/42/12/61/512421261.db2.gz PYSIMFFPCUZRPS-QFIPXVFZSA-N 2 1 371.525 2.656 20 30 FFEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000131782148 508969704 /nfs/dbraw/zinc/96/97/04/508969704.db2.gz SEJXSUNBWIGPNM-ICSRJNTNSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000131782148 508969706 /nfs/dbraw/zinc/96/97/06/508969706.db2.gz SEJXSUNBWIGPNM-ICSRJNTNSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131782148 508969709 /nfs/dbraw/zinc/96/97/09/508969709.db2.gz SEJXSUNBWIGPNM-ICSRJNTNSA-N 2 1 356.514 2.733 20 30 FFEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1Cc1ccccc1 ZINC000131782148 508969712 /nfs/dbraw/zinc/96/97/12/508969712.db2.gz SEJXSUNBWIGPNM-ICSRJNTNSA-N 2 1 356.514 2.733 20 30 FFEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000160616298 509010696 /nfs/dbraw/zinc/01/06/96/509010696.db2.gz IJKGBDLNXVOUPH-UHFFFAOYSA-N 2 1 374.504 2.613 20 30 FFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000248396165 509291893 /nfs/dbraw/zinc/29/18/93/509291893.db2.gz JYWDNKGKURQAMI-DVRVPYBTSA-N 2 1 368.525 2.541 20 30 FFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000248396165 509291900 /nfs/dbraw/zinc/29/19/00/509291900.db2.gz JYWDNKGKURQAMI-DVRVPYBTSA-N 2 1 368.525 2.541 20 30 FFEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957233 510128213 /nfs/dbraw/zinc/12/82/13/510128213.db2.gz JCVHJEGHELHXTL-WMZOPIPTSA-N 2 1 356.514 2.940 20 30 FFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000190538272 510190833 /nfs/dbraw/zinc/19/08/33/510190833.db2.gz XSBOQYSOUMVGOY-FQEVSTJZSA-N 2 1 368.481 2.713 20 30 FFEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180991709 510226759 /nfs/dbraw/zinc/22/67/59/510226759.db2.gz DQZHVYCSAQGKIH-NRFANRHFSA-N 2 1 350.462 2.555 20 30 FFEDMP CC1(C#N)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000272510944 511496799 /nfs/dbraw/zinc/49/67/99/511496799.db2.gz GEMDVZHGOFRWBA-UHFFFAOYSA-N 2 1 354.498 2.524 20 30 FFEDMP COCC[C@@H]([NH2+]CC#CC[NH2+][C@H](CCOC)c1ccco1)c1ccco1 ZINC000284309948 511677456 /nfs/dbraw/zinc/67/74/56/511677456.db2.gz ZUHDSHRFTCCYFW-QZTJIDSGSA-N 2 1 360.454 2.911 20 30 FFEDMP CC1CCN(C(=[NH2+])NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000303253159 511730002 /nfs/dbraw/zinc/73/00/02/511730002.db2.gz CJBFKXPVKKOKDK-HDICACEKSA-N 2 1 358.530 2.842 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274788842 511942698 /nfs/dbraw/zinc/94/26/98/511942698.db2.gz BOLMWCYEESOLGH-SLYNCCJLSA-N 2 1 356.514 2.541 20 30 FFEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274788842 511942702 /nfs/dbraw/zinc/94/27/02/511942702.db2.gz BOLMWCYEESOLGH-SLYNCCJLSA-N 2 1 356.514 2.541 20 30 FFEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3ccncc3C)CC2)CC1 ZINC000329791999 512098096 /nfs/dbraw/zinc/09/80/96/512098096.db2.gz UWLYHQAPUOYCBX-UHFFFAOYSA-N 2 1 360.502 2.674 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411825139 512833046 /nfs/dbraw/zinc/83/30/46/512833046.db2.gz RGXRUWSVOFJFGS-QHAWAJNXSA-N 2 1 368.525 2.536 20 30 FFEDMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421321248 513220500 /nfs/dbraw/zinc/22/05/00/513220500.db2.gz BOTPQNPLUPMNNN-UHFFFAOYSA-N 2 1 352.457 2.735 20 30 FFEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961852 514868426 /nfs/dbraw/zinc/86/84/26/514868426.db2.gz ABMBHLGCEGBWFP-LJQANCHMSA-N 2 1 357.502 2.747 20 30 FFEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccc1Cl ZINC000509069537 515008545 /nfs/dbraw/zinc/00/85/45/515008545.db2.gz KVTPDFHOLGCBPO-INIZCTEOSA-N 2 1 362.905 2.700 20 30 FFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000472284959 515202515 /nfs/dbraw/zinc/20/25/15/515202515.db2.gz BZTCXTWNKDRICB-SFHVURJKSA-N 2 1 369.469 2.541 20 30 FFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000472284959 515202521 /nfs/dbraw/zinc/20/25/21/515202521.db2.gz BZTCXTWNKDRICB-SFHVURJKSA-N 2 1 369.469 2.541 20 30 FFEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000528371081 516388342 /nfs/dbraw/zinc/38/83/42/516388342.db2.gz INRVWPBNPYWEBN-PZJWPPBQSA-N 2 1 371.525 2.886 20 30 FFEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000528371081 516388347 /nfs/dbraw/zinc/38/83/47/516388347.db2.gz INRVWPBNPYWEBN-PZJWPPBQSA-N 2 1 371.525 2.886 20 30 FFEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381294 516396481 /nfs/dbraw/zinc/39/64/81/516396481.db2.gz MCFKBKPICAMTAY-SFHLNBCPSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381294 516396488 /nfs/dbraw/zinc/39/64/88/516396488.db2.gz MCFKBKPICAMTAY-SFHLNBCPSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381294 516396497 /nfs/dbraw/zinc/39/64/97/516396497.db2.gz MCFKBKPICAMTAY-SFHLNBCPSA-N 2 1 371.525 2.884 20 30 FFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528381294 516396506 /nfs/dbraw/zinc/39/65/06/516396506.db2.gz MCFKBKPICAMTAY-SFHLNBCPSA-N 2 1 371.525 2.884 20 30 FFEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515060540 517195561 /nfs/dbraw/zinc/19/55/61/517195561.db2.gz QKXPPKNLGFHKTQ-FQEVSTJZSA-N 2 1 374.492 2.991 20 30 FFEDMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515060540 517195568 /nfs/dbraw/zinc/19/55/68/517195568.db2.gz QKXPPKNLGFHKTQ-FQEVSTJZSA-N 2 1 374.492 2.991 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000562983971 517554695 /nfs/dbraw/zinc/55/46/95/517554695.db2.gz HUGXSGCNZHRGOT-KRWDZBQOSA-N 2 1 350.528 2.778 20 30 FFEDMP C=CC[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563237772 517761970 /nfs/dbraw/zinc/76/19/70/517761970.db2.gz ORCWFYDKOZYSHR-OAQYLSRUSA-N 2 1 356.514 2.601 20 30 FFEDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000542948361 517833307 /nfs/dbraw/zinc/83/33/07/517833307.db2.gz XSWDOBOQSWWZPL-HXUWFJFHSA-N 2 1 356.514 2.919 20 30 FFEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108217 518433364 /nfs/dbraw/zinc/43/33/64/518433364.db2.gz QYWVIGUKMDOPBD-PKOBYXMFSA-N 2 1 374.492 2.991 20 30 FFEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570964497 518863003 /nfs/dbraw/zinc/86/30/03/518863003.db2.gz UJMBWNVOWKVJIK-IRXDYDNUSA-N 2 1 374.492 2.847 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000571754127 519256864 /nfs/dbraw/zinc/25/68/64/519256864.db2.gz INBYSYMTMBPENX-IBGZPJMESA-N 2 1 356.514 2.644 20 30 FFEDMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000602876107 519942492 /nfs/dbraw/zinc/94/24/92/519942492.db2.gz DRMMEMHYGWVZKO-UHFFFAOYSA-N 2 1 360.889 2.958 20 30 FFEDMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594439737 519965852 /nfs/dbraw/zinc/96/58/52/519965852.db2.gz UYOJOPFPLFKDMJ-LPHOPBHVSA-N 2 1 358.486 2.757 20 30 FFEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600719673 520421126 /nfs/dbraw/zinc/42/11/26/520421126.db2.gz DUZJLBCOIWZFCI-UHFFFAOYSA-N 2 1 366.546 2.880 20 30 FFEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000600747464 520444417 /nfs/dbraw/zinc/44/44/17/520444417.db2.gz XNMKGQNTVMHGIU-WOJBJXKFSA-N 2 1 353.510 2.933 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000604473805 520571376 /nfs/dbraw/zinc/57/13/76/520571376.db2.gz KXSQTGOQXZEWLO-GOSISDBHSA-N 2 1 360.465 2.603 20 30 FFEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000604473805 520571387 /nfs/dbraw/zinc/57/13/87/520571387.db2.gz KXSQTGOQXZEWLO-GOSISDBHSA-N 2 1 360.465 2.603 20 30 FFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC000599277568 521125063 /nfs/dbraw/zinc/12/50/63/521125063.db2.gz NQTOPOZMBSCKLA-UXHICEINSA-N 2 1 363.546 2.502 20 30 FFEDMP N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000611587597 521240068 /nfs/dbraw/zinc/24/00/68/521240068.db2.gz FZQIAWYECKXGHU-BAGYTPMASA-N 2 1 352.526 2.865 20 30 FFEDMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602528642 521396928 /nfs/dbraw/zinc/39/69/28/521396928.db2.gz ONMUYSVNFSGQCY-WOJBJXKFSA-N 2 1 356.514 2.767 20 30 FFEDMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602528642 521396936 /nfs/dbraw/zinc/39/69/36/521396936.db2.gz ONMUYSVNFSGQCY-WOJBJXKFSA-N 2 1 356.514 2.767 20 30 FFEDMP